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https://github.com/Discngine/fpocket.git
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6 Commits
PeyratG-pa
...
4.2
| Author | SHA1 | Date | |
|---|---|---|---|
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9f2f379997 | ||
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6e66d3677c | ||
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146f76e8f8 | ||
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f792bff126 | ||
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d42000c72f | ||
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a9eb68e8b9 |
22
Dockerfile
Normal file
22
Dockerfile
Normal file
@@ -0,0 +1,22 @@
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FROM debian:bookworm-slim
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RUN groupadd -r fpocket && useradd --no-log-init -r -g fpocket fpocket
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RUN apt update -y && apt install -y gcc g++ make libnetcdf-dev && rm -rf /var/lib/apt/lists/*
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# all of this mess is essentially to have a minimalistic build at the end
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COPY makefile /opt/fpocket/
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COPY src /opt/fpocket/src
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COPY man /opt/fpocket/man
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COPY headers /opt/fpocket/headers
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COPY obj /opt/fpocket/obj
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COPY scripts /opt/fpocket/scripts
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COPY bin /opt/fpocket/bin
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COPY plugins/LINUXAMD64 /opt/fpocket/plugins/LINUXAMD64
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COPY plugins/include /opt/fpocket/plugins/include
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COPY plugins/noarch /opt/fpocket/plugins/noarch
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WORKDIR /opt/fpocket
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RUN make && make install && make clean
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USER fpocket
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WORKDIR /tmp
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CMD ["fpocket"]
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@@ -81,10 +81,10 @@ docker build -t fpocket/fpocket .
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This will build fpocket into your local fpocket/fpocket image. You can then run fpocket/mdpocket etc using:
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```bash
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docker run -v `pwd`:/WORKDIR fpocket/fpocket fpocket -f data/sample/1UYD.pdb
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docker run -v `pwd`:/workdir fpocket/fpocket fpocket -f /workdir/yourfile.pdb
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```
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Here you mount your current directory with your input files into the preconfigured `/WORKDIR` in the docker container and then run fpocket on a file in that mounted folder.
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Here you mount your current directory with your input files into the preconfigured `/workdir` in the docker container and then run fpocket on a file in that mounted folder. Make sure that the folder is writeable to others if you run it through docker.
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### Installing
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10785
data/sample/6a5k.cif
Normal file
10785
data/sample/6a5k.cif
Normal file
File diff suppressed because it is too large
Load Diff
2
makefile
2
makefile
@@ -1,7 +1,7 @@
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#------------------------------------------------------------
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# Makefile.
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#------------------------------------------------------------
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#ARCH = MACOSXX86_64
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# ARCH = MACOSXX86_64
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ARCH = LINUXAMD64
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export ARCH
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@@ -260,11 +260,13 @@ float pte_get_enegativity(const char *symbol)
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*/
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char *pte_get_element_from_number(int atomicnumber)
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{
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char *tmp=malloc(sizeof(char)*3) ;
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if(atomicnumber>0 && atomicnumber<112){
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tmp[0] = ST_pte_symbol[atomicnumber][0] ;
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tmp[1] = ST_pte_symbol[atomicnumber][1] ;
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tmp[2]='\0';
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return tmp;
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} else {
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tmp[0]='-';
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@@ -214,17 +214,10 @@ void write_mmcif_atom_line(FILE *f, const char rec_name[], int id, const char at
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res_id_buf[5] = "****",
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charge_buf[3] = " \0";
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if (id < 100000)
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sprintf(id_buf, "%5d", id);
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else
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sprintf(id_buf, "%05x", id);
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if (res_id < 10000)
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sprintf(res_id_buf, "%4d", res_id);
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else if (res_id < 65536)
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sprintf(res_id_buf, "%04x", res_id);
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else
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sprintf(res_id_buf, "****");
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sprintf(id_buf, "%d", id);
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sprintf(res_id_buf, "%d", res_id);
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alt_loc = (alt_loc == '\0' || (alt_loc == ' ')) ? '?' : alt_loc;
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insert = (insert == '\0' || insert==' ') ? '?' : insert;
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@@ -15,7 +15,7 @@ Information about the pocket 10:
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6 - Hydrophobicity Score : 40.0769
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7 - Polarity Score : 6
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8 - Amino Acid based volume Score : 3.6154
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9 - Pocket volume (Monte Carlo) : 427.0346
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9 - Pocket volume (Monte Carlo) : 433.1334
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||||
10 -Pocket volume (convex hull) : 76.0139
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11 - Charge Score : 1
|
||||
12 - Local hydrophobic density Score : 32.4571
|
||||
@@ -39,38 +39,38 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 3335 C CG2 ? THR Bxp 167 ? 23.611 41.302 32.855 0.00 0 394 B
|
||||
ATOM 3339 O O ? ALA Bxp 168 ? 21.154 41.582 30.397 0.00 0 395 B
|
||||
ATOM 1238 O O ? ALA Axp 168 ? 20.773 34.081 30.515 0.00 0 395 A
|
||||
ATOM 3399 C CD1 ? ILE Bxp 176 ? 22.413 39.457 35.570 0.00 0 403 B
|
||||
ATOM 3397 C CG1 ? ILE Bxp 176 ? 21.483 40.079 36.568 0.00 0 403 B
|
||||
ATOM 3345 C CB ? HIS Bxp 169 ? 17.804 41.919 30.765 0.00 0 396 B
|
||||
ATOM 3378 C CB ? PHE Bxp 174 ? 18.390 43.943 35.478 0.00 0 401 B
|
||||
ATOM 3332 O O ? THR Bxp 167 ? 21.633 44.211 32.694 -1.07 0 394 B
|
||||
ATOM 3735 C CA ? SER Bxp 219 ? 24.536 33.701 35.059 0.00 0 446 B
|
||||
ATOM 3729 O O ? LEU Bxp 218 ? 23.720 35.415 36.830 0.00 0 445 B
|
||||
ATOM 1239 C CB ? ALA Axp 168 ? 21.952 31.542 32.252 0.00 0 395 A
|
||||
ATOM 3454 O O ? SER Bxp 183 ? 12.618 40.049 35.823 -1.07 0 410 B
|
||||
ATOM 3488 O OD1 ? ASN Bxp 187 ? 12.383 40.631 32.241 -1.07 0 414 B
|
||||
ATOM 3380 C CD1 ? PHE Bxp 174 ? 16.492 43.534 33.887 0.00 0 401 B
|
||||
ATOM 3460 O O ? LEU Bxp 184 ? 14.089 37.175 34.255 -3.21 0 411 B
|
||||
ATOM 3458 C CA ? LEU Bxp 184 ? 14.473 38.083 36.400 0.00 0 411 B
|
||||
ATOM 3348 C CD2 ? HIS Bxp 169 ? 16.267 39.878 30.268 0.00 0 396 B
|
||||
ATOM 1241 C CA ? HIS Axp 169 ? 18.086 33.603 31.255 0.00 0 396 A
|
||||
ATOM 3760 C CB ? TYR Bxp 222 ? 18.259 32.959 38.062 0.00 0 449 B
|
||||
ATOM 3756 N N ? TYR Bxp 222 ? 20.251 33.164 39.466 -1.09 0 449 B
|
||||
ATOM 3398 C CG2 ? ILE Bxp 176 ? 21.928 38.594 38.565 0.00 0 403 B
|
||||
ATOM 3463 C CD1 ? LEU Bxp 184 ? 17.369 37.208 38.932 0.00 0 411 B
|
||||
ATOM 3737 O O ? SER Bxp 219 ? 23.395 31.686 35.276 -1.07 0 446 B
|
||||
ATOM 3728 C C ? LEU Bxp 218 ? 24.912 35.395 36.613 0.00 0 445 B
|
||||
ATOM 3730 C CB ? LEU Bxp 218 ? 25.994 37.693 36.437 0.00 0 445 B
|
||||
ATOM 3738 C CB ? SER Bxp 219 ? 25.152 33.376 33.704 0.00 0 446 B
|
||||
ATOM 3346 C CG ? HIS Bxp 169 ? 16.549 41.202 30.364 0.00 0 396 B
|
||||
ATOM 3464 C CD2 ? LEU Bxp 184 ? 17.512 38.953 37.066 0.00 0 411 B
|
||||
ATOM 3734 N N ? SER Bxp 219 ? 25.438 34.466 35.848 -1.09 0 446 B
|
||||
ATOM 1247 C CD2 ? HIS Axp 169 ? 15.907 36.141 30.193 0.00 0 396 A
|
||||
ATOM 3461 C CB ? LEU Bxp 184 ? 15.552 37.271 37.155 0.00 0 411 B
|
||||
ATOM 1250 N N ? ALA Axp 170 ? 17.224 33.325 33.516 -4.79 0 397 A
|
||||
ATOM 1255 N N ? GLY Axp 171 ? 17.151 30.558 34.884 -1.09 0 398 A
|
||||
ATOM 1237 C C ? ALA Axp 168 ? 20.392 32.949 30.818 0.00 0 395 A
|
||||
ATOM 3335 C CG2 ? THR Bxp 167 ? 23.611 41.302 32.855 0.00 0 394 B
|
||||
ATOM 3339 O O ? ALA Bxp 168 ? 21.154 41.582 30.397 0.00 0 395 B
|
||||
ATOM 1238 O O ? ALA Axp 168 ? 20.773 34.081 30.515 0.00 0 395 A
|
||||
ATOM 3399 C CD1 ? ILE Bxp 176 ? 22.413 39.457 35.570 0.00 0 403 B
|
||||
ATOM 3397 C CG1 ? ILE Bxp 176 ? 21.483 40.079 36.568 0.00 0 403 B
|
||||
ATOM 3345 C CB ? HIS Bxp 169 ? 17.804 41.919 30.765 0.00 0 396 B
|
||||
ATOM 3378 C CB ? PHE Bxp 174 ? 18.390 43.943 35.478 0.00 0 401 B
|
||||
ATOM 3332 O O ? THR Bxp 167 ? 21.633 44.211 32.694 -1.07 0 394 B
|
||||
ATOM 3735 C CA ? SER Bxp 219 ? 24.536 33.701 35.059 0.00 0 446 B
|
||||
ATOM 3729 O O ? LEU Bxp 218 ? 23.720 35.415 36.830 0.00 0 445 B
|
||||
ATOM 1239 C CB ? ALA Axp 168 ? 21.952 31.542 32.252 0.00 0 395 A
|
||||
ATOM 3454 O O ? SER Bxp 183 ? 12.618 40.049 35.823 -1.07 0 410 B
|
||||
ATOM 3488 O OD1 ? ASN Bxp 187 ? 12.383 40.631 32.241 -1.07 0 414 B
|
||||
ATOM 3380 C CD1 ? PHE Bxp 174 ? 16.492 43.534 33.887 0.00 0 401 B
|
||||
ATOM 3460 O O ? LEU Bxp 184 ? 14.089 37.175 34.255 -3.21 0 411 B
|
||||
ATOM 3458 C CA ? LEU Bxp 184 ? 14.473 38.083 36.400 0.00 0 411 B
|
||||
ATOM 3348 C CD2 ? HIS Bxp 169 ? 16.267 39.878 30.268 0.00 0 396 B
|
||||
ATOM 1241 C CA ? HIS Axp 169 ? 18.086 33.603 31.255 0.00 0 396 A
|
||||
ATOM 3760 C CB ? TYR Bxp 222 ? 18.259 32.959 38.062 0.00 0 449 B
|
||||
ATOM 3756 N N ? TYR Bxp 222 ? 20.251 33.164 39.466 -1.09 0 449 B
|
||||
ATOM 3398 C CG2 ? ILE Bxp 176 ? 21.928 38.594 38.565 0.00 0 403 B
|
||||
ATOM 3463 C CD1 ? LEU Bxp 184 ? 17.369 37.208 38.932 0.00 0 411 B
|
||||
ATOM 3737 O O ? SER Bxp 219 ? 23.395 31.686 35.276 -1.07 0 446 B
|
||||
ATOM 3728 C C ? LEU Bxp 218 ? 24.912 35.395 36.613 0.00 0 445 B
|
||||
ATOM 3730 C CB ? LEU Bxp 218 ? 25.994 37.693 36.437 0.00 0 445 B
|
||||
ATOM 3738 C CB ? SER Bxp 219 ? 25.152 33.376 33.704 0.00 0 446 B
|
||||
ATOM 3346 C CG ? HIS Bxp 169 ? 16.549 41.202 30.364 0.00 0 396 B
|
||||
ATOM 3464 C CD2 ? LEU Bxp 184 ? 17.512 38.953 37.066 0.00 0 411 B
|
||||
ATOM 3734 N N ? SER Bxp 219 ? 25.438 34.466 35.848 -1.09 0 446 B
|
||||
ATOM 1247 C CD2 ? HIS Axp 169 ? 15.907 36.141 30.193 0.00 0 396 A
|
||||
ATOM 3461 C CB ? LEU Bxp 184 ? 15.552 37.271 37.155 0.00 0 411 B
|
||||
ATOM 1250 N N ? ALA Axp 170 ? 17.224 33.325 33.516 -4.79 0 397 A
|
||||
ATOM 1255 N N ? GLY Axp 171 ? 17.151 30.558 34.884 -1.09 0 398 A
|
||||
ATOM 1237 C C ? ALA Axp 168 ? 20.392 32.949 30.818 0.00 0 395 A
|
||||
#
|
||||
|
||||
@@ -17,75 +17,75 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 1236 C CA ? ALA Axp 168 ? 21.345 31.742 30.855 0.00 0 395 A
|
||||
ATOM 1237 C C ? ALA Axp 168 ? 20.392 32.949 30.818 0.00 0 395 A
|
||||
ATOM 1238 O O ? ALA Axp 168 ? 20.773 34.081 30.515 0.00 0 395 A
|
||||
ATOM 1239 C CB ? ALA Axp 168 ? 21.952 31.542 32.252 0.00 0 395 A
|
||||
ATOM 1240 N N ? HIS Axp 169 ? 19.130 32.633 31.043 0.00 0 396 A
|
||||
ATOM 1241 C CA ? HIS Axp 169 ? 18.086 33.603 31.255 0.00 0 396 A
|
||||
ATOM 1242 C C ? HIS Axp 169 ? 17.124 32.937 32.241 0.00 0 396 A
|
||||
ATOM 1244 C CB ? HIS Axp 169 ? 17.333 33.968 29.971 0.00 0 396 A
|
||||
ATOM 1245 C CG ? HIS Axp 169 ? 16.104 34.797 30.229 0.00 0 396 A
|
||||
ATOM 1247 C CD2 ? HIS Axp 169 ? 15.907 36.141 30.193 0.00 0 396 A
|
||||
ATOM 1249 N NE2 ? HIS Axp 169 ? 14.590 36.367 30.529 0.00 0 396 A
|
||||
ATOM 1250 N N ? ALA Axp 170 ? 17.224 33.325 33.516 -4.79 0 397 A
|
||||
ATOM 1251 C CA ? ALA Axp 170 ? 16.342 32.830 34.571 0.00 0 397 A
|
||||
ATOM 1252 C C ? ALA Axp 170 ? 16.105 31.311 34.539 0.00 0 397 A
|
||||
ATOM 1254 C CB ? ALA Axp 170 ? 15.038 33.564 34.528 0.00 0 397 A
|
||||
ATOM 1255 N N ? GLY Axp 171 ? 17.151 30.558 34.884 -1.09 0 398 A
|
||||
ATOM 3331 C C ? THR Bxp 167 ? 22.771 43.904 32.327 0.00 0 394 B
|
||||
ATOM 3332 O O ? THR Bxp 167 ? 21.633 44.211 32.694 -1.07 0 394 B
|
||||
ATOM 3333 C CB ? THR Bxp 167 ? 23.958 42.338 33.911 0.00 0 394 B
|
||||
ATOM 3335 C CG2 ? THR Bxp 167 ? 23.611 41.302 32.855 0.00 0 394 B
|
||||
ATOM 3338 C C ? ALA Bxp 168 ? 20.955 42.763 30.104 0.00 0 395 B
|
||||
ATOM 3339 O O ? ALA Bxp 168 ? 21.154 41.582 30.397 0.00 0 395 B
|
||||
ATOM 3341 N N ? HIS Bxp 169 ? 19.743 43.280 29.949 0.00 0 396 B
|
||||
ATOM 3342 C CA ? HIS Bxp 169 ? 18.586 42.470 29.578 0.00 0 396 B
|
||||
ATOM 3345 C CB ? HIS Bxp 169 ? 17.804 41.919 30.765 0.00 0 396 B
|
||||
ATOM 3346 C CG ? HIS Bxp 169 ? 16.549 41.202 30.364 0.00 0 396 B
|
||||
ATOM 3347 N ND1 ? HIS Bxp 169 ? 15.399 41.864 29.978 -2.19 0 396 B
|
||||
ATOM 3348 C CD2 ? HIS Bxp 169 ? 16.267 39.878 30.268 0.00 0 396 B
|
||||
ATOM 3349 C CE1 ? HIS Bxp 169 ? 14.459 40.980 29.690 0.00 0 396 B
|
||||
ATOM 3350 N NE2 ? HIS Bxp 169 ? 14.959 39.769 29.859 0.00 0 396 B
|
||||
ATOM 3374 N N ? PHE Bxp 174 ? 19.806 45.500 34.237 0.00 0 401 B
|
||||
ATOM 3375 C CA ? PHE Bxp 174 ? 19.360 45.109 35.564 0.00 0 401 B
|
||||
ATOM 3377 O O ? PHE Bxp 174 ? 21.500 44.304 36.088 0.00 0 401 B
|
||||
ATOM 3378 C CB ? PHE Bxp 174 ? 18.390 43.943 35.478 0.00 0 401 B
|
||||
ATOM 3379 C CG ? PHE Bxp 174 ? 17.076 44.325 34.855 0.00 0 401 B
|
||||
ATOM 3380 C CD1 ? PHE Bxp 174 ? 16.492 43.534 33.887 0.00 0 401 B
|
||||
ATOM 3382 C CE1 ? PHE Bxp 174 ? 15.273 43.909 33.319 0.00 0 401 B
|
||||
ATOM 3396 C CB ? ILE Bxp 176 ? 21.966 39.989 38.044 0.00 0 403 B
|
||||
ATOM 3397 C CG1 ? ILE Bxp 176 ? 21.483 40.079 36.568 0.00 0 403 B
|
||||
ATOM 3398 C CG2 ? ILE Bxp 176 ? 21.928 38.594 38.565 0.00 0 403 B
|
||||
ATOM 3399 C CD1 ? ILE Bxp 176 ? 22.413 39.457 35.570 0.00 0 403 B
|
||||
ATOM 3453 C C ? SER Bxp 183 ? 12.616 39.571 36.930 0.00 0 410 B
|
||||
ATOM 3454 O O ? SER Bxp 183 ? 12.618 40.049 35.823 -1.07 0 410 B
|
||||
ATOM 3457 N N ? LEU Bxp 184 ? 13.478 38.624 37.304 0.00 0 411 B
|
||||
ATOM 3458 C CA ? LEU Bxp 184 ? 14.473 38.083 36.400 0.00 0 411 B
|
||||
ATOM 3459 C C ? LEU Bxp 184 ? 13.764 37.165 35.433 0.00 0 411 B
|
||||
ATOM 3460 O O ? LEU Bxp 184 ? 14.089 37.175 34.255 -3.21 0 411 B
|
||||
ATOM 3461 C CB ? LEU Bxp 184 ? 15.552 37.271 37.155 0.00 0 411 B
|
||||
ATOM 3462 C CG ? LEU Bxp 184 ? 16.587 38.098 37.951 0.00 0 411 B
|
||||
ATOM 3463 C CD1 ? LEU Bxp 184 ? 17.369 37.208 38.932 0.00 0 411 B
|
||||
ATOM 3464 C CD2 ? LEU Bxp 184 ? 17.512 38.953 37.066 0.00 0 411 B
|
||||
ATOM 3488 O OD1 ? ASN Bxp 187 ? 12.383 40.631 32.241 -1.07 0 414 B
|
||||
ATOM 3727 C CA ? LEU Bxp 218 ? 25.851 36.423 37.264 0.00 0 445 B
|
||||
ATOM 3728 C C ? LEU Bxp 218 ? 24.912 35.395 36.613 0.00 0 445 B
|
||||
ATOM 3729 O O ? LEU Bxp 218 ? 23.720 35.415 36.830 0.00 0 445 B
|
||||
ATOM 3730 C CB ? LEU Bxp 218 ? 25.994 37.693 36.437 0.00 0 445 B
|
||||
ATOM 3734 N N ? SER Bxp 219 ? 25.438 34.466 35.848 -1.09 0 446 B
|
||||
ATOM 3735 C CA ? SER Bxp 219 ? 24.536 33.701 35.059 0.00 0 446 B
|
||||
ATOM 3736 C C ? SER Bxp 219 ? 24.150 32.474 35.811 0.00 0 446 B
|
||||
ATOM 3737 O O ? SER Bxp 219 ? 23.395 31.686 35.276 -1.07 0 446 B
|
||||
ATOM 3738 C CB ? SER Bxp 219 ? 25.152 33.376 33.704 0.00 0 446 B
|
||||
ATOM 3751 C C ? VAL Bxp 221 ? 21.031 32.982 40.538 0.00 0 448 B
|
||||
ATOM 3753 C CB ? VAL Bxp 221 ? 22.559 35.077 40.397 0.00 0 448 B
|
||||
ATOM 3756 N N ? TYR Bxp 222 ? 20.251 33.164 39.466 -1.09 0 449 B
|
||||
ATOM 3757 C CA ? TYR Bxp 222 ? 18.886 32.708 39.432 0.00 0 449 B
|
||||
ATOM 3760 C CB ? TYR Bxp 222 ? 18.259 32.959 38.062 0.00 0 449 B
|
||||
ATOM 3761 C CG ? TYR Bxp 222 ? 16.811 32.522 38.032 0.00 0 449 B
|
||||
ATOM 3762 C CD1 ? TYR Bxp 222 ? 15.795 33.459 38.329 0.00 0 449 B
|
||||
ATOM 3768 N N ? GLU Bxp 223 ? 19.652 30.471 39.123 0.00 0 450 B
|
||||
ATOM 3773 C CG ? GLU Bxp 223 ? 20.865 28.953 37.013 0.00 0 450 B
|
||||
ATOM 3776 O OE2 ? GLU Bxp 223 ? 21.549 28.266 34.820 0.00 0 450 B
|
||||
ATOM 1236 C CA ? ALA Axp 168 ? 21.345 31.742 30.855 0.00 0 395 A
|
||||
ATOM 1237 C C ? ALA Axp 168 ? 20.392 32.949 30.818 0.00 0 395 A
|
||||
ATOM 1238 O O ? ALA Axp 168 ? 20.773 34.081 30.515 0.00 0 395 A
|
||||
ATOM 1239 C CB ? ALA Axp 168 ? 21.952 31.542 32.252 0.00 0 395 A
|
||||
ATOM 1240 N N ? HIS Axp 169 ? 19.130 32.633 31.043 0.00 0 396 A
|
||||
ATOM 1241 C CA ? HIS Axp 169 ? 18.086 33.603 31.255 0.00 0 396 A
|
||||
ATOM 1242 C C ? HIS Axp 169 ? 17.124 32.937 32.241 0.00 0 396 A
|
||||
ATOM 1244 C CB ? HIS Axp 169 ? 17.333 33.968 29.971 0.00 0 396 A
|
||||
ATOM 1245 C CG ? HIS Axp 169 ? 16.104 34.797 30.229 0.00 0 396 A
|
||||
ATOM 1247 C CD2 ? HIS Axp 169 ? 15.907 36.141 30.193 0.00 0 396 A
|
||||
ATOM 1249 N NE2 ? HIS Axp 169 ? 14.590 36.367 30.529 0.00 0 396 A
|
||||
ATOM 1250 N N ? ALA Axp 170 ? 17.224 33.325 33.516 -4.79 0 397 A
|
||||
ATOM 1251 C CA ? ALA Axp 170 ? 16.342 32.830 34.571 0.00 0 397 A
|
||||
ATOM 1252 C C ? ALA Axp 170 ? 16.105 31.311 34.539 0.00 0 397 A
|
||||
ATOM 1254 C CB ? ALA Axp 170 ? 15.038 33.564 34.528 0.00 0 397 A
|
||||
ATOM 1255 N N ? GLY Axp 171 ? 17.151 30.558 34.884 -1.09 0 398 A
|
||||
ATOM 3331 C C ? THR Bxp 167 ? 22.771 43.904 32.327 0.00 0 394 B
|
||||
ATOM 3332 O O ? THR Bxp 167 ? 21.633 44.211 32.694 -1.07 0 394 B
|
||||
ATOM 3333 C CB ? THR Bxp 167 ? 23.958 42.338 33.911 0.00 0 394 B
|
||||
ATOM 3335 C CG2 ? THR Bxp 167 ? 23.611 41.302 32.855 0.00 0 394 B
|
||||
ATOM 3338 C C ? ALA Bxp 168 ? 20.955 42.763 30.104 0.00 0 395 B
|
||||
ATOM 3339 O O ? ALA Bxp 168 ? 21.154 41.582 30.397 0.00 0 395 B
|
||||
ATOM 3341 N N ? HIS Bxp 169 ? 19.743 43.280 29.949 0.00 0 396 B
|
||||
ATOM 3342 C CA ? HIS Bxp 169 ? 18.586 42.470 29.578 0.00 0 396 B
|
||||
ATOM 3345 C CB ? HIS Bxp 169 ? 17.804 41.919 30.765 0.00 0 396 B
|
||||
ATOM 3346 C CG ? HIS Bxp 169 ? 16.549 41.202 30.364 0.00 0 396 B
|
||||
ATOM 3347 N ND1 ? HIS Bxp 169 ? 15.399 41.864 29.978 -2.19 0 396 B
|
||||
ATOM 3348 C CD2 ? HIS Bxp 169 ? 16.267 39.878 30.268 0.00 0 396 B
|
||||
ATOM 3349 C CE1 ? HIS Bxp 169 ? 14.459 40.980 29.690 0.00 0 396 B
|
||||
ATOM 3350 N NE2 ? HIS Bxp 169 ? 14.959 39.769 29.859 0.00 0 396 B
|
||||
ATOM 3374 N N ? PHE Bxp 174 ? 19.806 45.500 34.237 0.00 0 401 B
|
||||
ATOM 3375 C CA ? PHE Bxp 174 ? 19.360 45.109 35.564 0.00 0 401 B
|
||||
ATOM 3377 O O ? PHE Bxp 174 ? 21.500 44.304 36.088 0.00 0 401 B
|
||||
ATOM 3378 C CB ? PHE Bxp 174 ? 18.390 43.943 35.478 0.00 0 401 B
|
||||
ATOM 3379 C CG ? PHE Bxp 174 ? 17.076 44.325 34.855 0.00 0 401 B
|
||||
ATOM 3380 C CD1 ? PHE Bxp 174 ? 16.492 43.534 33.887 0.00 0 401 B
|
||||
ATOM 3382 C CE1 ? PHE Bxp 174 ? 15.273 43.909 33.319 0.00 0 401 B
|
||||
ATOM 3396 C CB ? ILE Bxp 176 ? 21.966 39.989 38.044 0.00 0 403 B
|
||||
ATOM 3397 C CG1 ? ILE Bxp 176 ? 21.483 40.079 36.568 0.00 0 403 B
|
||||
ATOM 3398 C CG2 ? ILE Bxp 176 ? 21.928 38.594 38.565 0.00 0 403 B
|
||||
ATOM 3399 C CD1 ? ILE Bxp 176 ? 22.413 39.457 35.570 0.00 0 403 B
|
||||
ATOM 3453 C C ? SER Bxp 183 ? 12.616 39.571 36.930 0.00 0 410 B
|
||||
ATOM 3454 O O ? SER Bxp 183 ? 12.618 40.049 35.823 -1.07 0 410 B
|
||||
ATOM 3457 N N ? LEU Bxp 184 ? 13.478 38.624 37.304 0.00 0 411 B
|
||||
ATOM 3458 C CA ? LEU Bxp 184 ? 14.473 38.083 36.400 0.00 0 411 B
|
||||
ATOM 3459 C C ? LEU Bxp 184 ? 13.764 37.165 35.433 0.00 0 411 B
|
||||
ATOM 3460 O O ? LEU Bxp 184 ? 14.089 37.175 34.255 -3.21 0 411 B
|
||||
ATOM 3461 C CB ? LEU Bxp 184 ? 15.552 37.271 37.155 0.00 0 411 B
|
||||
ATOM 3462 C CG ? LEU Bxp 184 ? 16.587 38.098 37.951 0.00 0 411 B
|
||||
ATOM 3463 C CD1 ? LEU Bxp 184 ? 17.369 37.208 38.932 0.00 0 411 B
|
||||
ATOM 3464 C CD2 ? LEU Bxp 184 ? 17.512 38.953 37.066 0.00 0 411 B
|
||||
ATOM 3488 O OD1 ? ASN Bxp 187 ? 12.383 40.631 32.241 -1.07 0 414 B
|
||||
ATOM 3727 C CA ? LEU Bxp 218 ? 25.851 36.423 37.264 0.00 0 445 B
|
||||
ATOM 3728 C C ? LEU Bxp 218 ? 24.912 35.395 36.613 0.00 0 445 B
|
||||
ATOM 3729 O O ? LEU Bxp 218 ? 23.720 35.415 36.830 0.00 0 445 B
|
||||
ATOM 3730 C CB ? LEU Bxp 218 ? 25.994 37.693 36.437 0.00 0 445 B
|
||||
ATOM 3734 N N ? SER Bxp 219 ? 25.438 34.466 35.848 -1.09 0 446 B
|
||||
ATOM 3735 C CA ? SER Bxp 219 ? 24.536 33.701 35.059 0.00 0 446 B
|
||||
ATOM 3736 C C ? SER Bxp 219 ? 24.150 32.474 35.811 0.00 0 446 B
|
||||
ATOM 3737 O O ? SER Bxp 219 ? 23.395 31.686 35.276 -1.07 0 446 B
|
||||
ATOM 3738 C CB ? SER Bxp 219 ? 25.152 33.376 33.704 0.00 0 446 B
|
||||
ATOM 3751 C C ? VAL Bxp 221 ? 21.031 32.982 40.538 0.00 0 448 B
|
||||
ATOM 3753 C CB ? VAL Bxp 221 ? 22.559 35.077 40.397 0.00 0 448 B
|
||||
ATOM 3756 N N ? TYR Bxp 222 ? 20.251 33.164 39.466 -1.09 0 449 B
|
||||
ATOM 3757 C CA ? TYR Bxp 222 ? 18.886 32.708 39.432 0.00 0 449 B
|
||||
ATOM 3760 C CB ? TYR Bxp 222 ? 18.259 32.959 38.062 0.00 0 449 B
|
||||
ATOM 3761 C CG ? TYR Bxp 222 ? 16.811 32.522 38.032 0.00 0 449 B
|
||||
ATOM 3762 C CD1 ? TYR Bxp 222 ? 15.795 33.459 38.329 0.00 0 449 B
|
||||
ATOM 3768 N N ? GLU Bxp 223 ? 19.652 30.471 39.123 0.00 0 450 B
|
||||
ATOM 3773 C CG ? GLU Bxp 223 ? 20.865 28.953 37.013 0.00 0 450 B
|
||||
ATOM 3776 O OE2 ? GLU Bxp 223 ? 21.549 28.266 34.820 0.00 0 450 B
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 11:
|
||||
6 - Hydrophobicity Score : 17.4167
|
||||
7 - Polarity Score : 7
|
||||
8 - Amino Acid based volume Score : 3.8333
|
||||
9 - Pocket volume (Monte Carlo) : 160.2332
|
||||
9 - Pocket volume (Monte Carlo) : 157.8834
|
||||
10 -Pocket volume (convex hull) : 11.3291
|
||||
11 - Charge Score : -1
|
||||
12 - Local hydrophobic density Score : 5.0000
|
||||
@@ -39,25 +39,25 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 1405 C CD2 ? PHE Axp 189 ? 10.703 31.452 22.157 0.00 0 416 A
|
||||
ATOM 1435 O O ? SER Axp 193 ? 11.879 32.960 15.552 -3.21 0 420 A
|
||||
ATOM 1407 C CE2 ? PHE Axp 189 ? 11.966 31.656 22.739 0.00 0 416 A
|
||||
ATOM 996 O O ? ARG Axp 135 ? 13.454 28.096 20.320 -4.69 0 362 A
|
||||
ATOM 1436 C CB ? SER Axp 193 ? 9.997 34.149 17.982 0.00 0 420 A
|
||||
ATOM 1329 N N ? ALA Axp 180 ? 14.229 35.929 18.757 -1.09 0 407 A
|
||||
ATOM 1327 O OG1 ? THR Axp 179 ? 17.108 33.330 21.134 -2.14 0 406 A
|
||||
ATOM 1290 C CD ? PRO Axp 175 ? 18.295 29.738 22.438 0.00 0 402 A
|
||||
ATOM 1323 C CA ? THR Axp 179 ? 16.193 34.623 19.411 0.00 0 406 A
|
||||
ATOM 1437 O OG ? SER Axp 193 ? 9.317 33.077 18.605 0.00 0 420 A
|
||||
ATOM 1289 C CG ? PRO Axp 175 ? 18.737 29.443 21.033 0.00 0 402 A
|
||||
ATOM 1312 C CB ? TRP Axp 178 ? 18.807 31.481 17.128 0.00 0 405 A
|
||||
ATOM 1005 C CA ? ASP Axp 136 ? 14.988 26.627 18.681 0.00 0 363 A
|
||||
ATOM 1311 O O ? TRP Axp 178 ? 16.495 33.261 16.896 -2.14 0 405 A
|
||||
ATOM 1471 C CB ? ALA Axp 197 ? 14.926 31.065 14.885 0.00 0 424 A
|
||||
ATOM 1355 O OG ? SER Axp 183 ? 10.954 35.267 20.964 0.00 0 410 A
|
||||
ATOM 1012 N N ? LEU Axp 137 ? 14.970 26.942 16.300 0.00 0 364 A
|
||||
ATOM 1444 O OD1 ? ASP Axp 194 ? 10.115 28.834 16.531 0.00 0 421 A
|
||||
ATOM 995 C C ? ARG Axp 135 ? 12.856 27.406 19.519 0.00 0 362 A
|
||||
ATOM 994 C CA ? ARG Axp 135 ? 11.309 27.407 19.509 0.00 0 362 A
|
||||
ATOM 1328 C CG2 ? THR Axp 179 ? 15.235 34.657 21.794 0.00 0 406 A
|
||||
ATOM 1405 C CD2 ? PHE Axp 189 ? 10.703 31.452 22.157 0.00 0 416 A
|
||||
ATOM 1435 O O ? SER Axp 193 ? 11.879 32.960 15.552 -3.21 0 420 A
|
||||
ATOM 1407 C CE2 ? PHE Axp 189 ? 11.966 31.656 22.739 0.00 0 416 A
|
||||
ATOM 996 O O ? ARG Axp 135 ? 13.454 28.096 20.320 -4.69 0 362 A
|
||||
ATOM 1436 C CB ? SER Axp 193 ? 9.997 34.149 17.982 0.00 0 420 A
|
||||
ATOM 1329 N N ? ALA Axp 180 ? 14.229 35.929 18.757 -1.09 0 407 A
|
||||
ATOM 1327 O OG1 ? THR Axp 179 ? 17.108 33.330 21.134 -2.14 0 406 A
|
||||
ATOM 1290 C CD ? PRO Axp 175 ? 18.295 29.738 22.438 0.00 0 402 A
|
||||
ATOM 1323 C CA ? THR Axp 179 ? 16.193 34.623 19.411 0.00 0 406 A
|
||||
ATOM 1437 O OG ? SER Axp 193 ? 9.317 33.077 18.605 0.00 0 420 A
|
||||
ATOM 1289 C CG ? PRO Axp 175 ? 18.737 29.443 21.033 0.00 0 402 A
|
||||
ATOM 1312 C CB ? TRP Axp 178 ? 18.807 31.481 17.128 0.00 0 405 A
|
||||
ATOM 1005 C CA ? ASP Axp 136 ? 14.988 26.627 18.681 0.00 0 363 A
|
||||
ATOM 1311 O O ? TRP Axp 178 ? 16.495 33.261 16.896 -2.14 0 405 A
|
||||
ATOM 1471 C CB ? ALA Axp 197 ? 14.926 31.065 14.885 0.00 0 424 A
|
||||
ATOM 1355 O OG ? SER Axp 183 ? 10.954 35.267 20.964 0.00 0 410 A
|
||||
ATOM 1012 N N ? LEU Axp 137 ? 14.970 26.942 16.300 0.00 0 364 A
|
||||
ATOM 1444 O OD1 ? ASP Axp 194 ? 10.115 28.834 16.531 0.00 0 421 A
|
||||
ATOM 995 C C ? ARG Axp 135 ? 12.856 27.406 19.519 0.00 0 362 A
|
||||
ATOM 994 C CA ? ARG Axp 135 ? 11.309 27.407 19.509 0.00 0 362 A
|
||||
ATOM 1328 C CG2 ? THR Axp 179 ? 15.235 34.657 21.794 0.00 0 406 A
|
||||
#
|
||||
|
||||
@@ -17,48 +17,48 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 993 N N ? ARG Axp 135 ? 10.598 26.723 18.417 0.00 0 362 A
|
||||
ATOM 994 C CA ? ARG Axp 135 ? 11.309 27.407 19.509 0.00 0 362 A
|
||||
ATOM 995 C C ? ARG Axp 135 ? 12.856 27.406 19.519 0.00 0 362 A
|
||||
ATOM 996 O O ? ARG Axp 135 ? 13.454 28.096 20.320 -4.69 0 362 A
|
||||
ATOM 997 C CB ? ARG Axp 135 ? 10.850 26.919 20.881 0.00 0 362 A
|
||||
ATOM 1004 N N ? ASP Axp 136 ? 13.515 26.641 18.666 0.00 0 363 A
|
||||
ATOM 1005 C CA ? ASP Axp 136 ? 14.988 26.627 18.681 0.00 0 363 A
|
||||
ATOM 1006 C C ? ASP Axp 136 ? 15.413 26.185 17.291 0.00 0 363 A
|
||||
ATOM 1008 C CB ? ASP Axp 136 ? 15.490 25.673 19.755 0.00 0 363 A
|
||||
ATOM 1009 C CG ? ASP Axp 136 ? 16.996 25.759 19.996 0.00 0 363 A
|
||||
ATOM 1010 O OD1 ? ASP Axp 136 ? 17.712 26.739 19.639 0.00 0 363 A
|
||||
ATOM 1012 N N ? LEU Axp 137 ? 14.970 26.942 16.300 0.00 0 364 A
|
||||
ATOM 1014 C C ? LEU Axp 137 ? 16.652 27.030 14.689 0.00 0 364 A
|
||||
ATOM 1015 O O ? LEU Axp 137 ? 16.968 28.209 14.932 0.00 0 364 A
|
||||
ATOM 1280 C CD2 ? PHE Axp 174 ? 15.409 30.643 25.623 0.00 0 401 A
|
||||
ATOM 1287 O O ? PRO Axp 175 ? 19.472 32.424 20.666 0.00 0 402 A
|
||||
ATOM 1289 C CG ? PRO Axp 175 ? 18.737 29.443 21.033 0.00 0 402 A
|
||||
ATOM 1290 C CD ? PRO Axp 175 ? 18.295 29.738 22.438 0.00 0 402 A
|
||||
ATOM 1309 C CA ? TRP Axp 178 ? 18.854 33.025 17.137 0.00 0 405 A
|
||||
ATOM 1310 C C ? TRP Axp 178 ? 17.481 33.558 17.564 0.00 0 405 A
|
||||
ATOM 1311 O O ? TRP Axp 178 ? 16.495 33.261 16.896 -2.14 0 405 A
|
||||
ATOM 1312 C CB ? TRP Axp 178 ? 18.807 31.481 17.128 0.00 0 405 A
|
||||
ATOM 1322 N N ? THR Axp 179 ? 17.421 34.347 18.657 0.00 0 406 A
|
||||
ATOM 1323 C CA ? THR Axp 179 ? 16.193 34.623 19.411 0.00 0 406 A
|
||||
ATOM 1324 C C ? THR Axp 179 ? 15.545 35.958 19.044 0.00 0 406 A
|
||||
ATOM 1326 C CB ? THR Axp 179 ? 16.508 34.581 20.893 0.00 0 406 A
|
||||
ATOM 1327 O OG1 ? THR Axp 179 ? 17.108 33.330 21.134 -2.14 0 406 A
|
||||
ATOM 1328 C CG2 ? THR Axp 179 ? 15.235 34.657 21.794 0.00 0 406 A
|
||||
ATOM 1329 N N ? ALA Axp 180 ? 14.229 35.929 18.757 -1.09 0 407 A
|
||||
ATOM 1333 C CB ? ALA Axp 180 ? 12.155 36.812 17.751 0.00 0 407 A
|
||||
ATOM 1354 C CB ? SER Axp 183 ? 11.829 35.508 22.060 0.00 0 410 A
|
||||
ATOM 1355 O OG ? SER Axp 183 ? 10.954 35.267 20.964 0.00 0 410 A
|
||||
ATOM 1405 C CD2 ? PHE Axp 189 ? 10.703 31.452 22.157 0.00 0 416 A
|
||||
ATOM 1407 C CE2 ? PHE Axp 189 ? 11.966 31.656 22.739 0.00 0 416 A
|
||||
ATOM 1408 C CZ ? PHE Axp 189 ? 12.053 32.229 24.016 0.00 0 416 A
|
||||
ATOM 1433 C CA ? SER Axp 193 ? 9.893 34.090 16.472 0.00 0 420 A
|
||||
ATOM 1434 C C ? SER Axp 193 ? 10.658 32.899 15.802 0.00 0 420 A
|
||||
ATOM 1435 O O ? SER Axp 193 ? 11.879 32.960 15.552 -3.21 0 420 A
|
||||
ATOM 1436 C CB ? SER Axp 193 ? 9.997 34.149 17.982 0.00 0 420 A
|
||||
ATOM 1437 O OG ? SER Axp 193 ? 9.317 33.077 18.605 0.00 0 420 A
|
||||
ATOM 1438 N N ? ASP Axp 194 ? 9.907 31.853 15.450 0.00 0 421 A
|
||||
ATOM 1439 C CA ? ASP Axp 194 ? 10.435 30.800 14.622 0.00 0 421 A
|
||||
ATOM 1444 O OD1 ? ASP Axp 194 ? 10.115 28.834 16.531 0.00 0 421 A
|
||||
ATOM 1471 C CB ? ALA Axp 197 ? 14.926 31.065 14.885 0.00 0 424 A
|
||||
ATOM 993 N N ? ARG Axp 135 ? 10.598 26.723 18.417 0.00 0 362 A
|
||||
ATOM 994 C CA ? ARG Axp 135 ? 11.309 27.407 19.509 0.00 0 362 A
|
||||
ATOM 995 C C ? ARG Axp 135 ? 12.856 27.406 19.519 0.00 0 362 A
|
||||
ATOM 996 O O ? ARG Axp 135 ? 13.454 28.096 20.320 -4.69 0 362 A
|
||||
ATOM 997 C CB ? ARG Axp 135 ? 10.850 26.919 20.881 0.00 0 362 A
|
||||
ATOM 1004 N N ? ASP Axp 136 ? 13.515 26.641 18.666 0.00 0 363 A
|
||||
ATOM 1005 C CA ? ASP Axp 136 ? 14.988 26.627 18.681 0.00 0 363 A
|
||||
ATOM 1006 C C ? ASP Axp 136 ? 15.413 26.185 17.291 0.00 0 363 A
|
||||
ATOM 1008 C CB ? ASP Axp 136 ? 15.490 25.673 19.755 0.00 0 363 A
|
||||
ATOM 1009 C CG ? ASP Axp 136 ? 16.996 25.759 19.996 0.00 0 363 A
|
||||
ATOM 1010 O OD1 ? ASP Axp 136 ? 17.712 26.739 19.639 0.00 0 363 A
|
||||
ATOM 1012 N N ? LEU Axp 137 ? 14.970 26.942 16.300 0.00 0 364 A
|
||||
ATOM 1014 C C ? LEU Axp 137 ? 16.652 27.030 14.689 0.00 0 364 A
|
||||
ATOM 1015 O O ? LEU Axp 137 ? 16.968 28.209 14.932 0.00 0 364 A
|
||||
ATOM 1280 C CD2 ? PHE Axp 174 ? 15.409 30.643 25.623 0.00 0 401 A
|
||||
ATOM 1287 O O ? PRO Axp 175 ? 19.472 32.424 20.666 0.00 0 402 A
|
||||
ATOM 1289 C CG ? PRO Axp 175 ? 18.737 29.443 21.033 0.00 0 402 A
|
||||
ATOM 1290 C CD ? PRO Axp 175 ? 18.295 29.738 22.438 0.00 0 402 A
|
||||
ATOM 1309 C CA ? TRP Axp 178 ? 18.854 33.025 17.137 0.00 0 405 A
|
||||
ATOM 1310 C C ? TRP Axp 178 ? 17.481 33.558 17.564 0.00 0 405 A
|
||||
ATOM 1311 O O ? TRP Axp 178 ? 16.495 33.261 16.896 -2.14 0 405 A
|
||||
ATOM 1312 C CB ? TRP Axp 178 ? 18.807 31.481 17.128 0.00 0 405 A
|
||||
ATOM 1322 N N ? THR Axp 179 ? 17.421 34.347 18.657 0.00 0 406 A
|
||||
ATOM 1323 C CA ? THR Axp 179 ? 16.193 34.623 19.411 0.00 0 406 A
|
||||
ATOM 1324 C C ? THR Axp 179 ? 15.545 35.958 19.044 0.00 0 406 A
|
||||
ATOM 1326 C CB ? THR Axp 179 ? 16.508 34.581 20.893 0.00 0 406 A
|
||||
ATOM 1327 O OG1 ? THR Axp 179 ? 17.108 33.330 21.134 -2.14 0 406 A
|
||||
ATOM 1328 C CG2 ? THR Axp 179 ? 15.235 34.657 21.794 0.00 0 406 A
|
||||
ATOM 1329 N N ? ALA Axp 180 ? 14.229 35.929 18.757 -1.09 0 407 A
|
||||
ATOM 1333 C CB ? ALA Axp 180 ? 12.155 36.812 17.751 0.00 0 407 A
|
||||
ATOM 1354 C CB ? SER Axp 183 ? 11.829 35.508 22.060 0.00 0 410 A
|
||||
ATOM 1355 O OG ? SER Axp 183 ? 10.954 35.267 20.964 0.00 0 410 A
|
||||
ATOM 1405 C CD2 ? PHE Axp 189 ? 10.703 31.452 22.157 0.00 0 416 A
|
||||
ATOM 1407 C CE2 ? PHE Axp 189 ? 11.966 31.656 22.739 0.00 0 416 A
|
||||
ATOM 1408 C CZ ? PHE Axp 189 ? 12.053 32.229 24.016 0.00 0 416 A
|
||||
ATOM 1433 C CA ? SER Axp 193 ? 9.893 34.090 16.472 0.00 0 420 A
|
||||
ATOM 1434 C C ? SER Axp 193 ? 10.658 32.899 15.802 0.00 0 420 A
|
||||
ATOM 1435 O O ? SER Axp 193 ? 11.879 32.960 15.552 -3.21 0 420 A
|
||||
ATOM 1436 C CB ? SER Axp 193 ? 9.997 34.149 17.982 0.00 0 420 A
|
||||
ATOM 1437 O OG ? SER Axp 193 ? 9.317 33.077 18.605 0.00 0 420 A
|
||||
ATOM 1438 N N ? ASP Axp 194 ? 9.907 31.853 15.450 0.00 0 421 A
|
||||
ATOM 1439 C CA ? ASP Axp 194 ? 10.435 30.800 14.622 0.00 0 421 A
|
||||
ATOM 1444 O OD1 ? ASP Axp 194 ? 10.115 28.834 16.531 0.00 0 421 A
|
||||
ATOM 1471 C CB ? ALA Axp 197 ? 14.926 31.065 14.885 0.00 0 424 A
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 12:
|
||||
6 - Hydrophobicity Score : 14.1667
|
||||
7 - Polarity Score : 7
|
||||
8 - Amino Acid based volume Score : 4.4167
|
||||
9 - Pocket volume (Monte Carlo) : 293.7227
|
||||
9 - Pocket volume (Monte Carlo) : 288.4808
|
||||
10 -Pocket volume (convex hull) : 19.5893
|
||||
11 - Charge Score : 1
|
||||
12 - Local hydrophobic density Score : 1.0000
|
||||
@@ -39,23 +39,23 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 3242 O OD2 ? ASP Bxp 154 ? 14.601 55.095 40.376 -2.28 0 381 B
|
||||
ATOM 3271 O OG ? SER Bxp 158 ? 19.353 51.914 34.201 -4.02 0 385 B
|
||||
ATOM 3255 C CA ? GLY Bxp 156 ? 19.014 56.342 37.269 0.00 0 383 B
|
||||
ATOM 3241 O OD1 ? ASP Bxp 154 ? 16.754 55.332 40.331 -1.07 0 381 B
|
||||
ATOM 3383 C CE2 ? PHE Bxp 174 ? 15.221 45.900 34.664 0.00 0 401 B
|
||||
ATOM 3094 O O ? ARG Bxp 135 ? 14.784 48.309 40.445 -7.50 0 362 B
|
||||
ATOM 3097 C CD ? ARG Bxp 135 ? 10.822 49.558 37.921 0.00 0 362 B
|
||||
ATOM 3504 C CE2 ? PHE Bxp 189 ? 12.691 45.021 38.263 0.00 0 416 B
|
||||
ATOM 3368 O O ? LYS Bxp 173 ? 18.932 47.542 34.352 -3.62 0 400 B
|
||||
ATOM 3109 O OD2 ? ASP Bxp 136 ? 19.063 51.084 39.753 -0.40 0 363 B
|
||||
ATOM 3258 N N ? LEU Bxp 157 ? 20.869 54.873 37.697 0.00 0 384 B
|
||||
ATOM 3095 C CB ? ARG Bxp 135 ? 12.276 49.729 39.764 0.00 0 362 B
|
||||
ATOM 3084 O O ? HIS Bxp 134 ? 12.372 52.048 41.332 -1.07 0 361 B
|
||||
ATOM 3381 C CD2 ? PHE Bxp 174 ? 16.430 45.506 35.243 0.00 0 401 B
|
||||
ATOM 3270 C CB ? SER Bxp 158 ? 20.116 50.947 34.907 0.00 0 385 B
|
||||
ATOM 3326 C CE2 ? TYR Bxp 166 ? 21.152 49.314 38.053 0.00 0 393 B
|
||||
ATOM 3391 C CD ? PRO Bxp 175 ? 19.172 45.854 38.445 0.00 0 402 B
|
||||
ATOM 3106 C CB ? ASP Bxp 136 ? 17.005 50.806 40.933 0.00 0 363 B
|
||||
ATOM 3107 C CG ? ASP Bxp 136 ? 18.465 50.434 40.626 0.00 0 363 B
|
||||
ATOM 3242 O OD2 ? ASP Bxp 154 ? 14.601 55.095 40.376 -2.28 0 381 B
|
||||
ATOM 3271 O OG ? SER Bxp 158 ? 19.353 51.914 34.201 -4.02 0 385 B
|
||||
ATOM 3255 C CA ? GLY Bxp 156 ? 19.014 56.342 37.269 0.00 0 383 B
|
||||
ATOM 3241 O OD1 ? ASP Bxp 154 ? 16.754 55.332 40.331 -1.07 0 381 B
|
||||
ATOM 3383 C CE2 ? PHE Bxp 174 ? 15.221 45.900 34.664 0.00 0 401 B
|
||||
ATOM 3094 O O ? ARG Bxp 135 ? 14.784 48.309 40.445 -7.50 0 362 B
|
||||
ATOM 3097 C CD ? ARG Bxp 135 ? 10.822 49.558 37.921 0.00 0 362 B
|
||||
ATOM 3504 C CE2 ? PHE Bxp 189 ? 12.691 45.021 38.263 0.00 0 416 B
|
||||
ATOM 3368 O O ? LYS Bxp 173 ? 18.932 47.542 34.352 -3.62 0 400 B
|
||||
ATOM 3109 O OD2 ? ASP Bxp 136 ? 19.063 51.084 39.753 -0.40 0 363 B
|
||||
ATOM 3258 N N ? LEU Bxp 157 ? 20.869 54.873 37.697 0.00 0 384 B
|
||||
ATOM 3095 C CB ? ARG Bxp 135 ? 12.276 49.729 39.764 0.00 0 362 B
|
||||
ATOM 3084 O O ? HIS Bxp 134 ? 12.372 52.048 41.332 -1.07 0 361 B
|
||||
ATOM 3381 C CD2 ? PHE Bxp 174 ? 16.430 45.506 35.243 0.00 0 401 B
|
||||
ATOM 3270 C CB ? SER Bxp 158 ? 20.116 50.947 34.907 0.00 0 385 B
|
||||
ATOM 3326 C CE2 ? TYR Bxp 166 ? 21.152 49.314 38.053 0.00 0 393 B
|
||||
ATOM 3391 C CD ? PRO Bxp 175 ? 19.172 45.854 38.445 0.00 0 402 B
|
||||
ATOM 3106 C CB ? ASP Bxp 136 ? 17.005 50.806 40.933 0.00 0 363 B
|
||||
ATOM 3107 C CG ? ASP Bxp 136 ? 18.465 50.434 40.626 0.00 0 363 B
|
||||
#
|
||||
|
||||
@@ -17,42 +17,42 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 3084 O O ? HIS Bxp 134 ? 12.372 52.048 41.332 -1.07 0 361 B
|
||||
ATOM 3092 C CA ? ARG Bxp 135 ? 12.705 49.230 41.141 0.00 0 362 B
|
||||
ATOM 3093 C C ? ARG Bxp 135 ? 14.235 49.115 41.170 0.00 0 362 B
|
||||
ATOM 3094 O O ? ARG Bxp 135 ? 14.784 48.309 40.445 -7.50 0 362 B
|
||||
ATOM 3095 C CB ? ARG Bxp 135 ? 12.276 49.729 39.764 0.00 0 362 B
|
||||
ATOM 3096 C CG ? ARG Bxp 135 ? 10.987 49.132 39.313 0.00 0 362 B
|
||||
ATOM 3097 C CD ? ARG Bxp 135 ? 10.822 49.558 37.921 0.00 0 362 B
|
||||
ATOM 3098 N NE ? ARG Bxp 135 ? 9.837 48.697 37.316 -3.28 0 362 B
|
||||
ATOM 3099 C CZ ? ARG Bxp 135 ? 9.680 48.564 36.008 0.00 0 362 B
|
||||
ATOM 3100 N NH1 ? ARG Bxp 135 ? 10.479 49.242 35.166 0.00 0 362 B
|
||||
ATOM 3102 N N ? ASP Bxp 136 ? 14.929 49.943 41.933 0.00 0 363 B
|
||||
ATOM 3103 C CA ? ASP Bxp 136 ? 16.383 49.878 41.974 0.00 0 363 B
|
||||
ATOM 3106 C CB ? ASP Bxp 136 ? 17.005 50.806 40.933 0.00 0 363 B
|
||||
ATOM 3107 C CG ? ASP Bxp 136 ? 18.465 50.434 40.626 0.00 0 363 B
|
||||
ATOM 3108 O OD1 ? ASP Bxp 136 ? 19.011 49.469 41.230 -2.14 0 363 B
|
||||
ATOM 3109 O OD2 ? ASP Bxp 136 ? 19.063 51.084 39.753 -0.40 0 363 B
|
||||
ATOM 3240 C CG ? ASP Bxp 154 ? 15.630 55.631 40.804 0.00 0 381 B
|
||||
ATOM 3241 O OD1 ? ASP Bxp 154 ? 16.754 55.332 40.331 -1.07 0 381 B
|
||||
ATOM 3242 O OD2 ? ASP Bxp 154 ? 14.601 55.095 40.376 -2.28 0 381 B
|
||||
ATOM 3254 N N ? GLY Bxp 156 ? 19.098 56.710 38.688 0.00 0 383 B
|
||||
ATOM 3255 C CA ? GLY Bxp 156 ? 19.014 56.342 37.269 0.00 0 383 B
|
||||
ATOM 3256 C C ? GLY Bxp 156 ? 20.360 55.778 36.866 0.00 0 383 B
|
||||
ATOM 3258 N N ? LEU Bxp 157 ? 20.869 54.873 37.697 0.00 0 384 B
|
||||
ATOM 3266 N N ? SER Bxp 158 ? 21.413 52.688 36.129 0.00 0 385 B
|
||||
ATOM 3267 C CA ? SER Bxp 158 ? 21.516 51.514 35.236 0.00 0 385 B
|
||||
ATOM 3270 C CB ? SER Bxp 158 ? 20.116 50.947 34.907 0.00 0 385 B
|
||||
ATOM 3271 O OG ? SER Bxp 158 ? 19.353 51.914 34.201 -4.02 0 385 B
|
||||
ATOM 3324 C CD2 ? TYR Bxp 166 ? 21.644 48.614 37.025 0.00 0 393 B
|
||||
ATOM 3326 C CE2 ? TYR Bxp 166 ? 21.152 49.314 38.053 0.00 0 393 B
|
||||
ATOM 3368 O O ? LYS Bxp 173 ? 18.932 47.542 34.352 -3.62 0 400 B
|
||||
ATOM 3375 C CA ? PHE Bxp 174 ? 19.360 45.109 35.564 0.00 0 401 B
|
||||
ATOM 3381 C CD2 ? PHE Bxp 174 ? 16.430 45.506 35.243 0.00 0 401 B
|
||||
ATOM 3383 C CE2 ? PHE Bxp 174 ? 15.221 45.900 34.664 0.00 0 401 B
|
||||
ATOM 3390 C CG ? PRO Bxp 175 ? 19.698 46.334 39.774 0.00 0 402 B
|
||||
ATOM 3391 C CD ? PRO Bxp 175 ? 19.172 45.854 38.445 0.00 0 402 B
|
||||
ATOM 3502 C CD2 ? PHE Bxp 189 ? 11.410 45.318 38.790 0.00 0 416 B
|
||||
ATOM 3504 C CE2 ? PHE Bxp 189 ? 12.691 45.021 38.263 0.00 0 416 B
|
||||
ATOM 3505 C CZ ? PHE Bxp 189 ? 12.791 44.477 36.970 0.00 0 416 B
|
||||
ATOM 3084 O O ? HIS Bxp 134 ? 12.372 52.048 41.332 -1.07 0 361 B
|
||||
ATOM 3092 C CA ? ARG Bxp 135 ? 12.705 49.230 41.141 0.00 0 362 B
|
||||
ATOM 3093 C C ? ARG Bxp 135 ? 14.235 49.115 41.170 0.00 0 362 B
|
||||
ATOM 3094 O O ? ARG Bxp 135 ? 14.784 48.309 40.445 -7.50 0 362 B
|
||||
ATOM 3095 C CB ? ARG Bxp 135 ? 12.276 49.729 39.764 0.00 0 362 B
|
||||
ATOM 3096 C CG ? ARG Bxp 135 ? 10.987 49.132 39.313 0.00 0 362 B
|
||||
ATOM 3097 C CD ? ARG Bxp 135 ? 10.822 49.558 37.921 0.00 0 362 B
|
||||
ATOM 3098 N NE ? ARG Bxp 135 ? 9.837 48.697 37.316 -3.28 0 362 B
|
||||
ATOM 3099 C CZ ? ARG Bxp 135 ? 9.680 48.564 36.008 0.00 0 362 B
|
||||
ATOM 3100 N NH1 ? ARG Bxp 135 ? 10.479 49.242 35.166 0.00 0 362 B
|
||||
ATOM 3102 N N ? ASP Bxp 136 ? 14.929 49.943 41.933 0.00 0 363 B
|
||||
ATOM 3103 C CA ? ASP Bxp 136 ? 16.383 49.878 41.974 0.00 0 363 B
|
||||
ATOM 3106 C CB ? ASP Bxp 136 ? 17.005 50.806 40.933 0.00 0 363 B
|
||||
ATOM 3107 C CG ? ASP Bxp 136 ? 18.465 50.434 40.626 0.00 0 363 B
|
||||
ATOM 3108 O OD1 ? ASP Bxp 136 ? 19.011 49.469 41.230 -2.14 0 363 B
|
||||
ATOM 3109 O OD2 ? ASP Bxp 136 ? 19.063 51.084 39.753 -0.40 0 363 B
|
||||
ATOM 3240 C CG ? ASP Bxp 154 ? 15.630 55.631 40.804 0.00 0 381 B
|
||||
ATOM 3241 O OD1 ? ASP Bxp 154 ? 16.754 55.332 40.331 -1.07 0 381 B
|
||||
ATOM 3242 O OD2 ? ASP Bxp 154 ? 14.601 55.095 40.376 -2.28 0 381 B
|
||||
ATOM 3254 N N ? GLY Bxp 156 ? 19.098 56.710 38.688 0.00 0 383 B
|
||||
ATOM 3255 C CA ? GLY Bxp 156 ? 19.014 56.342 37.269 0.00 0 383 B
|
||||
ATOM 3256 C C ? GLY Bxp 156 ? 20.360 55.778 36.866 0.00 0 383 B
|
||||
ATOM 3258 N N ? LEU Bxp 157 ? 20.869 54.873 37.697 0.00 0 384 B
|
||||
ATOM 3266 N N ? SER Bxp 158 ? 21.413 52.688 36.129 0.00 0 385 B
|
||||
ATOM 3267 C CA ? SER Bxp 158 ? 21.516 51.514 35.236 0.00 0 385 B
|
||||
ATOM 3270 C CB ? SER Bxp 158 ? 20.116 50.947 34.907 0.00 0 385 B
|
||||
ATOM 3271 O OG ? SER Bxp 158 ? 19.353 51.914 34.201 -4.02 0 385 B
|
||||
ATOM 3324 C CD2 ? TYR Bxp 166 ? 21.644 48.614 37.025 0.00 0 393 B
|
||||
ATOM 3326 C CE2 ? TYR Bxp 166 ? 21.152 49.314 38.053 0.00 0 393 B
|
||||
ATOM 3368 O O ? LYS Bxp 173 ? 18.932 47.542 34.352 -3.62 0 400 B
|
||||
ATOM 3375 C CA ? PHE Bxp 174 ? 19.360 45.109 35.564 0.00 0 401 B
|
||||
ATOM 3381 C CD2 ? PHE Bxp 174 ? 16.430 45.506 35.243 0.00 0 401 B
|
||||
ATOM 3383 C CE2 ? PHE Bxp 174 ? 15.221 45.900 34.664 0.00 0 401 B
|
||||
ATOM 3390 C CG ? PRO Bxp 175 ? 19.698 46.334 39.774 0.00 0 402 B
|
||||
ATOM 3391 C CD ? PRO Bxp 175 ? 19.172 45.854 38.445 0.00 0 402 B
|
||||
ATOM 3502 C CD2 ? PHE Bxp 189 ? 11.410 45.318 38.790 0.00 0 416 B
|
||||
ATOM 3504 C CE2 ? PHE Bxp 189 ? 12.691 45.021 38.263 0.00 0 416 B
|
||||
ATOM 3505 C CZ ? PHE Bxp 189 ? 12.791 44.477 36.970 0.00 0 416 B
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 13:
|
||||
6 - Hydrophobicity Score : 59.0769
|
||||
7 - Polarity Score : 0
|
||||
8 - Amino Acid based volume Score : 3.6154
|
||||
9 - Pocket volume (Monte Carlo) : 406.5184
|
||||
9 - Pocket volume (Monte Carlo) : 411.4784
|
||||
10 -Pocket volume (convex hull) : 39.2787
|
||||
11 - Charge Score : 0
|
||||
12 - Local hydrophobic density Score : 37.1163
|
||||
@@ -39,36 +39,36 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 7064 N N ? VAL Dxp 111 ? 48.340 24.744 22.841 0.00 0 338 D
|
||||
ATOM 7069 C CG1 ? VAL Dxp 111 ? 50.065 24.177 20.697 0.00 0 338 D
|
||||
ATOM 7068 C CB ? VAL Dxp 111 ? 49.531 23.019 21.320 0.00 0 338 D
|
||||
ATOM 7063 C CB ? ALA Dxp 110 ? 45.905 26.806 22.761 0.00 0 337 D
|
||||
ATOM 8096 C CG1 ? VAL Dxp 241 ? 40.339 21.749 29.386 0.00 0 468 D
|
||||
ATOM 7780 O O ? LEU Dxp 202 ? 42.550 24.062 33.744 0.00 0 429 D
|
||||
ATOM 7784 C CD2 ? LEU Dxp 202 ? 42.820 19.922 32.429 0.00 0 429 D
|
||||
ATOM 7814 C CG2 ? ILE Dxp 205 ? 46.612 24.182 31.921 0.00 0 432 D
|
||||
ATOM 7081 O O ? LEU Dxp 113 ? 47.597 21.725 29.219 -1.07 0 340 D
|
||||
ATOM 7086 N N ? LEU Dxp 114 ? 47.359 21.989 26.988 0.00 0 341 D
|
||||
ATOM 7087 C CA ? LEU Dxp 114 ? 46.823 20.670 26.737 0.00 0 341 D
|
||||
ATOM 7080 C C ? LEU Dxp 113 ? 47.767 22.386 28.183 0.00 0 340 D
|
||||
ATOM 7062 O O ? ALA Dxp 110 ? 47.080 24.204 24.629 -3.21 0 337 D
|
||||
ATOM 7093 C CD2 ? LEU Dxp 114 ? 45.275 20.097 23.190 0.00 0 341 D
|
||||
ATOM 8079 C CG ? PRO Dxp 238 ? 40.497 24.257 24.472 0.00 0 465 D
|
||||
ATOM 7061 C C ? ALA Dxp 110 ? 47.472 25.051 23.811 0.00 0 337 D
|
||||
ATOM 8080 C CD ? PRO Dxp 238 ? 40.408 25.135 25.676 0.00 0 465 D
|
||||
ATOM 8067 O O ? GLY Dxp 236 ? 40.728 28.470 25.473 -1.21 0 463 D
|
||||
ATOM 7060 C CA ? ALA Dxp 110 ? 46.959 26.484 23.905 0.00 0 337 D
|
||||
ATOM 7084 C CD1 ? LEU Dxp 113 ? 46.418 27.158 28.740 0.00 0 340 D
|
||||
ATOM 7817 C CA ? ALA Dxp 206 ? 43.249 27.236 31.702 0.00 0 433 D
|
||||
ATOM 7819 O O ? ALA Dxp 206 ? 43.166 29.530 31.087 -4.69 0 433 D
|
||||
ATOM 8069 C CA ? CYS Dxp 237 ? 39.173 27.291 27.413 0.00 0 464 D
|
||||
ATOM 7118 C CB ? ALA Dxp 117 ? 45.712 18.926 30.827 0.00 0 344 D
|
||||
ATOM 7820 C CB ? ALA Dxp 206 ? 41.725 26.810 31.590 0.00 0 433 D
|
||||
ATOM 8073 S SG ? CYS Dxp 237 ? 38.662 25.215 29.286 0.00 0 464 D
|
||||
ATOM 7816 N N ? ALA Dxp 206 ? 43.950 26.440 32.723 0.00 0 433 D
|
||||
ATOM 7065 C CA ? VAL Dxp 111 ? 48.863 23.360 22.717 0.00 0 338 D
|
||||
ATOM 7082 C CB ? LEU Dxp 113 ? 47.325 24.825 28.299 0.00 0 340 D
|
||||
ATOM 8097 C CG2 ? VAL Dxp 241 ? 40.590 21.066 26.854 0.00 0 468 D
|
||||
ATOM 7092 C CD1 ? LEU Dxp 114 ? 44.050 19.857 25.449 0.00 0 341 D
|
||||
ATOM 8308 C CE1 ? PHE Dxp 266 ? 42.431 17.800 28.875 0.00 0 493 D
|
||||
ATOM 7064 N N ? VAL Dxp 111 ? 48.340 24.744 22.841 0.00 0 338 D
|
||||
ATOM 7069 C CG1 ? VAL Dxp 111 ? 50.065 24.177 20.697 0.00 0 338 D
|
||||
ATOM 7068 C CB ? VAL Dxp 111 ? 49.531 23.019 21.320 0.00 0 338 D
|
||||
ATOM 7063 C CB ? ALA Dxp 110 ? 45.905 26.806 22.761 0.00 0 337 D
|
||||
ATOM 8096 C CG1 ? VAL Dxp 241 ? 40.339 21.749 29.386 0.00 0 468 D
|
||||
ATOM 7780 O O ? LEU Dxp 202 ? 42.550 24.062 33.744 0.00 0 429 D
|
||||
ATOM 7784 C CD2 ? LEU Dxp 202 ? 42.820 19.922 32.429 0.00 0 429 D
|
||||
ATOM 7814 C CG2 ? ILE Dxp 205 ? 46.612 24.182 31.921 0.00 0 432 D
|
||||
ATOM 7081 O O ? LEU Dxp 113 ? 47.597 21.725 29.219 -1.07 0 340 D
|
||||
ATOM 7086 N N ? LEU Dxp 114 ? 47.359 21.989 26.988 0.00 0 341 D
|
||||
ATOM 7087 C CA ? LEU Dxp 114 ? 46.823 20.670 26.737 0.00 0 341 D
|
||||
ATOM 7080 C C ? LEU Dxp 113 ? 47.767 22.386 28.183 0.00 0 340 D
|
||||
ATOM 7062 O O ? ALA Dxp 110 ? 47.080 24.204 24.629 -3.21 0 337 D
|
||||
ATOM 7093 C CD2 ? LEU Dxp 114 ? 45.275 20.097 23.190 0.00 0 341 D
|
||||
ATOM 8079 C CG ? PRO Dxp 238 ? 40.497 24.257 24.472 0.00 0 465 D
|
||||
ATOM 7061 C C ? ALA Dxp 110 ? 47.472 25.051 23.811 0.00 0 337 D
|
||||
ATOM 8080 C CD ? PRO Dxp 238 ? 40.408 25.135 25.676 0.00 0 465 D
|
||||
ATOM 8067 O O ? GLY Dxp 236 ? 40.728 28.470 25.473 -1.21 0 463 D
|
||||
ATOM 7060 C CA ? ALA Dxp 110 ? 46.959 26.484 23.905 0.00 0 337 D
|
||||
ATOM 7084 C CD1 ? LEU Dxp 113 ? 46.418 27.158 28.740 0.00 0 340 D
|
||||
ATOM 7817 C CA ? ALA Dxp 206 ? 43.249 27.236 31.702 0.00 0 433 D
|
||||
ATOM 7819 O O ? ALA Dxp 206 ? 43.166 29.530 31.087 -4.69 0 433 D
|
||||
ATOM 8069 C CA ? CYS Dxp 237 ? 39.173 27.291 27.413 0.00 0 464 D
|
||||
ATOM 7118 C CB ? ALA Dxp 117 ? 45.712 18.926 30.827 0.00 0 344 D
|
||||
ATOM 7820 C CB ? ALA Dxp 206 ? 41.725 26.810 31.590 0.00 0 433 D
|
||||
ATOM 8073 S SG ? CYS Dxp 237 ? 38.662 25.215 29.286 0.00 0 464 D
|
||||
ATOM 7816 N N ? ALA Dxp 206 ? 43.950 26.440 32.723 0.00 0 433 D
|
||||
ATOM 7065 C CA ? VAL Dxp 111 ? 48.863 23.360 22.717 0.00 0 338 D
|
||||
ATOM 7082 C CB ? LEU Dxp 113 ? 47.325 24.825 28.299 0.00 0 340 D
|
||||
ATOM 8097 C CG2 ? VAL Dxp 241 ? 40.590 21.066 26.854 0.00 0 468 D
|
||||
ATOM 7092 C CD1 ? LEU Dxp 114 ? 44.050 19.857 25.449 0.00 0 341 D
|
||||
ATOM 8308 C CE1 ? PHE Dxp 266 ? 42.431 17.800 28.875 0.00 0 493 D
|
||||
#
|
||||
|
||||
@@ -17,54 +17,54 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 7059 N N ? ALA Dxp 110 ? 48.007 27.461 23.893 -1.09 0 337 D
|
||||
ATOM 7060 C CA ? ALA Dxp 110 ? 46.959 26.484 23.905 0.00 0 337 D
|
||||
ATOM 7061 C C ? ALA Dxp 110 ? 47.472 25.051 23.811 0.00 0 337 D
|
||||
ATOM 7062 O O ? ALA Dxp 110 ? 47.080 24.204 24.629 -3.21 0 337 D
|
||||
ATOM 7063 C CB ? ALA Dxp 110 ? 45.905 26.806 22.761 0.00 0 337 D
|
||||
ATOM 7064 N N ? VAL Dxp 111 ? 48.340 24.744 22.841 0.00 0 338 D
|
||||
ATOM 7065 C CA ? VAL Dxp 111 ? 48.863 23.360 22.717 0.00 0 338 D
|
||||
ATOM 7068 C CB ? VAL Dxp 111 ? 49.531 23.019 21.320 0.00 0 338 D
|
||||
ATOM 7069 C CG1 ? VAL Dxp 111 ? 50.065 24.177 20.697 0.00 0 338 D
|
||||
ATOM 7079 C CA ? LEU Dxp 113 ? 48.430 23.739 28.221 0.00 0 340 D
|
||||
ATOM 7080 C C ? LEU Dxp 113 ? 47.767 22.386 28.183 0.00 0 340 D
|
||||
ATOM 7081 O O ? LEU Dxp 113 ? 47.597 21.725 29.219 -1.07 0 340 D
|
||||
ATOM 7082 C CB ? LEU Dxp 113 ? 47.325 24.825 28.299 0.00 0 340 D
|
||||
ATOM 7083 C CG ? LEU Dxp 113 ? 47.664 26.335 28.429 0.00 0 340 D
|
||||
ATOM 7084 C CD1 ? LEU Dxp 113 ? 46.418 27.158 28.740 0.00 0 340 D
|
||||
ATOM 7086 N N ? LEU Dxp 114 ? 47.359 21.989 26.988 0.00 0 341 D
|
||||
ATOM 7087 C CA ? LEU Dxp 114 ? 46.823 20.670 26.737 0.00 0 341 D
|
||||
ATOM 7090 C CB ? LEU Dxp 114 ? 46.375 20.660 25.286 0.00 0 341 D
|
||||
ATOM 7091 C CG ? LEU Dxp 114 ? 45.386 19.662 24.699 0.00 0 341 D
|
||||
ATOM 7092 C CD1 ? LEU Dxp 114 ? 44.050 19.857 25.449 0.00 0 341 D
|
||||
ATOM 7093 C CD2 ? LEU Dxp 114 ? 45.275 20.097 23.190 0.00 0 341 D
|
||||
ATOM 7118 C CB ? ALA Dxp 117 ? 45.712 18.926 30.827 0.00 0 344 D
|
||||
ATOM 7778 C CA ? LEU Dxp 202 ? 42.652 21.867 34.762 0.00 0 429 D
|
||||
ATOM 7779 C C ? LEU Dxp 202 ? 42.175 23.314 34.680 0.00 0 429 D
|
||||
ATOM 7780 O O ? LEU Dxp 202 ? 42.550 24.062 33.744 0.00 0 429 D
|
||||
ATOM 7781 C CB ? LEU Dxp 202 ? 41.521 21.052 34.137 0.00 0 429 D
|
||||
ATOM 7784 C CD2 ? LEU Dxp 202 ? 42.820 19.922 32.429 0.00 0 429 D
|
||||
ATOM 7810 C C ? ILE Dxp 205 ? 45.268 26.571 32.956 0.00 0 432 D
|
||||
ATOM 7812 C CB ? ILE Dxp 205 ? 46.098 24.078 33.335 0.00 0 432 D
|
||||
ATOM 7814 C CG2 ? ILE Dxp 205 ? 46.612 24.182 31.921 0.00 0 432 D
|
||||
ATOM 7816 N N ? ALA Dxp 206 ? 43.950 26.440 32.723 0.00 0 433 D
|
||||
ATOM 7817 C CA ? ALA Dxp 206 ? 43.249 27.236 31.702 0.00 0 433 D
|
||||
ATOM 7818 C C ? ALA Dxp 206 ? 43.351 28.736 31.982 0.00 0 433 D
|
||||
ATOM 7819 O O ? ALA Dxp 206 ? 43.166 29.530 31.087 -4.69 0 433 D
|
||||
ATOM 7820 C CB ? ALA Dxp 206 ? 41.725 26.810 31.590 0.00 0 433 D
|
||||
ATOM 8066 C C ? GLY Dxp 236 ? 39.903 29.189 26.105 0.00 0 463 D
|
||||
ATOM 8067 O O ? GLY Dxp 236 ? 40.728 28.470 25.473 -1.21 0 463 D
|
||||
ATOM 8068 N N ? CYS Dxp 237 ? 39.113 28.714 27.084 0.00 0 464 D
|
||||
ATOM 8069 C CA ? CYS Dxp 237 ? 39.173 27.291 27.413 0.00 0 464 D
|
||||
ATOM 8072 C CB ? CYS Dxp 237 ? 38.727 27.002 28.857 0.00 0 464 D
|
||||
ATOM 8073 S SG ? CYS Dxp 237 ? 38.662 25.215 29.286 0.00 0 464 D
|
||||
ATOM 8074 N N ? PRO Dxp 238 ? 38.989 25.529 25.691 0.00 0 465 D
|
||||
ATOM 8079 C CG ? PRO Dxp 238 ? 40.497 24.257 24.472 0.00 0 465 D
|
||||
ATOM 8080 C CD ? PRO Dxp 238 ? 40.408 25.135 25.676 0.00 0 465 D
|
||||
ATOM 8095 C CB ? VAL Dxp 241 ? 39.605 21.580 27.947 0.00 0 468 D
|
||||
ATOM 8096 C CG1 ? VAL Dxp 241 ? 40.339 21.749 29.386 0.00 0 468 D
|
||||
ATOM 8097 C CG2 ? VAL Dxp 241 ? 40.590 21.066 26.854 0.00 0 468 D
|
||||
ATOM 8306 C CD1 ? PHE Dxp 266 ? 43.156 16.946 28.042 0.00 0 493 D
|
||||
ATOM 8308 C CE1 ? PHE Dxp 266 ? 42.431 17.800 28.875 0.00 0 493 D
|
||||
ATOM 8310 C CZ ? PHE Dxp 266 ? 42.081 17.395 30.126 0.00 0 493 D
|
||||
ATOM 7059 N N ? ALA Dxp 110 ? 48.007 27.461 23.893 -1.09 0 337 D
|
||||
ATOM 7060 C CA ? ALA Dxp 110 ? 46.959 26.484 23.905 0.00 0 337 D
|
||||
ATOM 7061 C C ? ALA Dxp 110 ? 47.472 25.051 23.811 0.00 0 337 D
|
||||
ATOM 7062 O O ? ALA Dxp 110 ? 47.080 24.204 24.629 -3.21 0 337 D
|
||||
ATOM 7063 C CB ? ALA Dxp 110 ? 45.905 26.806 22.761 0.00 0 337 D
|
||||
ATOM 7064 N N ? VAL Dxp 111 ? 48.340 24.744 22.841 0.00 0 338 D
|
||||
ATOM 7065 C CA ? VAL Dxp 111 ? 48.863 23.360 22.717 0.00 0 338 D
|
||||
ATOM 7068 C CB ? VAL Dxp 111 ? 49.531 23.019 21.320 0.00 0 338 D
|
||||
ATOM 7069 C CG1 ? VAL Dxp 111 ? 50.065 24.177 20.697 0.00 0 338 D
|
||||
ATOM 7079 C CA ? LEU Dxp 113 ? 48.430 23.739 28.221 0.00 0 340 D
|
||||
ATOM 7080 C C ? LEU Dxp 113 ? 47.767 22.386 28.183 0.00 0 340 D
|
||||
ATOM 7081 O O ? LEU Dxp 113 ? 47.597 21.725 29.219 -1.07 0 340 D
|
||||
ATOM 7082 C CB ? LEU Dxp 113 ? 47.325 24.825 28.299 0.00 0 340 D
|
||||
ATOM 7083 C CG ? LEU Dxp 113 ? 47.664 26.335 28.429 0.00 0 340 D
|
||||
ATOM 7084 C CD1 ? LEU Dxp 113 ? 46.418 27.158 28.740 0.00 0 340 D
|
||||
ATOM 7086 N N ? LEU Dxp 114 ? 47.359 21.989 26.988 0.00 0 341 D
|
||||
ATOM 7087 C CA ? LEU Dxp 114 ? 46.823 20.670 26.737 0.00 0 341 D
|
||||
ATOM 7090 C CB ? LEU Dxp 114 ? 46.375 20.660 25.286 0.00 0 341 D
|
||||
ATOM 7091 C CG ? LEU Dxp 114 ? 45.386 19.662 24.699 0.00 0 341 D
|
||||
ATOM 7092 C CD1 ? LEU Dxp 114 ? 44.050 19.857 25.449 0.00 0 341 D
|
||||
ATOM 7093 C CD2 ? LEU Dxp 114 ? 45.275 20.097 23.190 0.00 0 341 D
|
||||
ATOM 7118 C CB ? ALA Dxp 117 ? 45.712 18.926 30.827 0.00 0 344 D
|
||||
ATOM 7778 C CA ? LEU Dxp 202 ? 42.652 21.867 34.762 0.00 0 429 D
|
||||
ATOM 7779 C C ? LEU Dxp 202 ? 42.175 23.314 34.680 0.00 0 429 D
|
||||
ATOM 7780 O O ? LEU Dxp 202 ? 42.550 24.062 33.744 0.00 0 429 D
|
||||
ATOM 7781 C CB ? LEU Dxp 202 ? 41.521 21.052 34.137 0.00 0 429 D
|
||||
ATOM 7784 C CD2 ? LEU Dxp 202 ? 42.820 19.922 32.429 0.00 0 429 D
|
||||
ATOM 7810 C C ? ILE Dxp 205 ? 45.268 26.571 32.956 0.00 0 432 D
|
||||
ATOM 7812 C CB ? ILE Dxp 205 ? 46.098 24.078 33.335 0.00 0 432 D
|
||||
ATOM 7814 C CG2 ? ILE Dxp 205 ? 46.612 24.182 31.921 0.00 0 432 D
|
||||
ATOM 7816 N N ? ALA Dxp 206 ? 43.950 26.440 32.723 0.00 0 433 D
|
||||
ATOM 7817 C CA ? ALA Dxp 206 ? 43.249 27.236 31.702 0.00 0 433 D
|
||||
ATOM 7818 C C ? ALA Dxp 206 ? 43.351 28.736 31.982 0.00 0 433 D
|
||||
ATOM 7819 O O ? ALA Dxp 206 ? 43.166 29.530 31.087 -4.69 0 433 D
|
||||
ATOM 7820 C CB ? ALA Dxp 206 ? 41.725 26.810 31.590 0.00 0 433 D
|
||||
ATOM 8066 C C ? GLY Dxp 236 ? 39.903 29.189 26.105 0.00 0 463 D
|
||||
ATOM 8067 O O ? GLY Dxp 236 ? 40.728 28.470 25.473 -1.21 0 463 D
|
||||
ATOM 8068 N N ? CYS Dxp 237 ? 39.113 28.714 27.084 0.00 0 464 D
|
||||
ATOM 8069 C CA ? CYS Dxp 237 ? 39.173 27.291 27.413 0.00 0 464 D
|
||||
ATOM 8072 C CB ? CYS Dxp 237 ? 38.727 27.002 28.857 0.00 0 464 D
|
||||
ATOM 8073 S SG ? CYS Dxp 237 ? 38.662 25.215 29.286 0.00 0 464 D
|
||||
ATOM 8074 N N ? PRO Dxp 238 ? 38.989 25.529 25.691 0.00 0 465 D
|
||||
ATOM 8079 C CG ? PRO Dxp 238 ? 40.497 24.257 24.472 0.00 0 465 D
|
||||
ATOM 8080 C CD ? PRO Dxp 238 ? 40.408 25.135 25.676 0.00 0 465 D
|
||||
ATOM 8095 C CB ? VAL Dxp 241 ? 39.605 21.580 27.947 0.00 0 468 D
|
||||
ATOM 8096 C CG1 ? VAL Dxp 241 ? 40.339 21.749 29.386 0.00 0 468 D
|
||||
ATOM 8097 C CG2 ? VAL Dxp 241 ? 40.590 21.066 26.854 0.00 0 468 D
|
||||
ATOM 8306 C CD1 ? PHE Dxp 266 ? 43.156 16.946 28.042 0.00 0 493 D
|
||||
ATOM 8308 C CE1 ? PHE Dxp 266 ? 42.431 17.800 28.875 0.00 0 493 D
|
||||
ATOM 8310 C CZ ? PHE Dxp 266 ? 42.081 17.395 30.126 0.00 0 493 D
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 14:
|
||||
6 - Hydrophobicity Score : -27.2500
|
||||
7 - Polarity Score : 3
|
||||
8 - Amino Acid based volume Score : 3.5000
|
||||
9 - Pocket volume (Monte Carlo) : 157.1661
|
||||
9 - Pocket volume (Monte Carlo) : 158.8699
|
||||
10 -Pocket volume (convex hull) : 1.4197
|
||||
11 - Charge Score : -1
|
||||
12 - Local hydrophobic density Score : 0.0000
|
||||
@@ -39,17 +39,17 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 3238 O O ? ASP Bxp 154 ? 17.212 58.730 41.018 -2.14 0 381 B
|
||||
ATOM 3240 C CG ? ASP Bxp 154 ? 15.630 55.631 40.804 0.00 0 381 B
|
||||
ATOM 3255 C CA ? GLY Bxp 156 ? 19.014 56.342 37.269 0.00 0 383 B
|
||||
ATOM 3241 O OD1 ? ASP Bxp 154 ? 16.754 55.332 40.331 -1.07 0 381 B
|
||||
ATOM 2491 O OE1 ? GLU Bxp 59 ? 14.831 61.607 36.581 0.00 0 286 B
|
||||
ATOM 3242 O OD2 ? ASP Bxp 154 ? 14.601 55.095 40.376 -2.28 0 381 B
|
||||
ATOM 2492 O OE2 ? GLU Bxp 59 ? 15.137 61.777 38.754 -1.07 0 286 B
|
||||
ATOM 2389 N NZ ? LYS Bxp 44 ? 17.801 61.554 36.438 -1.51 0 271 B
|
||||
ATOM 3254 N N ? GLY Bxp 156 ? 19.098 56.710 38.688 0.00 0 383 B
|
||||
ATOM 2489 C CG ? GLU Bxp 59 ? 12.912 61.584 38.000 0.00 0 286 B
|
||||
ATOM 2490 C CD ? GLU Bxp 59 ? 14.404 61.663 37.759 0.00 0 286 B
|
||||
ATOM 3239 C CB ? ASP Bxp 154 ? 15.520 56.620 41.941 0.00 0 381 B
|
||||
ATOM 2488 C CB ? GLU Bxp 59 ? 12.087 61.638 36.697 0.00 0 286 B
|
||||
ATOM 3238 O O ? ASP Bxp 154 ? 17.212 58.730 41.018 -2.14 0 381 B
|
||||
ATOM 3240 C CG ? ASP Bxp 154 ? 15.630 55.631 40.804 0.00 0 381 B
|
||||
ATOM 3255 C CA ? GLY Bxp 156 ? 19.014 56.342 37.269 0.00 0 383 B
|
||||
ATOM 3241 O OD1 ? ASP Bxp 154 ? 16.754 55.332 40.331 -1.07 0 381 B
|
||||
ATOM 2491 O OE1 ? GLU Bxp 59 ? 14.831 61.607 36.581 0.00 0 286 B
|
||||
ATOM 3242 O OD2 ? ASP Bxp 154 ? 14.601 55.095 40.376 -2.28 0 381 B
|
||||
ATOM 2492 O OE2 ? GLU Bxp 59 ? 15.137 61.777 38.754 -1.07 0 286 B
|
||||
ATOM 2389 N NZ ? LYS Bxp 44 ? 17.801 61.554 36.438 -1.51 0 271 B
|
||||
ATOM 3254 N N ? GLY Bxp 156 ? 19.098 56.710 38.688 0.00 0 383 B
|
||||
ATOM 2489 C CG ? GLU Bxp 59 ? 12.912 61.584 38.000 0.00 0 286 B
|
||||
ATOM 2490 C CD ? GLU Bxp 59 ? 14.404 61.663 37.759 0.00 0 286 B
|
||||
ATOM 3239 C CB ? ASP Bxp 154 ? 15.520 56.620 41.941 0.00 0 381 B
|
||||
ATOM 2488 C CB ? GLU Bxp 59 ? 12.087 61.638 36.697 0.00 0 286 B
|
||||
#
|
||||
|
||||
@@ -17,22 +17,22 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 2389 N NZ ? LYS Bxp 44 ? 17.801 61.554 36.438 -1.51 0 271 B
|
||||
ATOM 2454 O O ? GLU Bxp 55 ? 11.608 61.345 33.284 -1.88 0 282 B
|
||||
ATOM 2485 C CA ? GLU Bxp 59 ? 10.598 61.833 36.936 0.00 0 286 B
|
||||
ATOM 2488 C CB ? GLU Bxp 59 ? 12.087 61.638 36.697 0.00 0 286 B
|
||||
ATOM 2489 C CG ? GLU Bxp 59 ? 12.912 61.584 38.000 0.00 0 286 B
|
||||
ATOM 2490 C CD ? GLU Bxp 59 ? 14.404 61.663 37.759 0.00 0 286 B
|
||||
ATOM 2491 O OE1 ? GLU Bxp 59 ? 14.831 61.607 36.581 0.00 0 286 B
|
||||
ATOM 2492 O OE2 ? GLU Bxp 59 ? 15.137 61.777 38.754 -1.07 0 286 B
|
||||
ATOM 3237 C C ? ASP Bxp 154 ? 17.708 57.721 41.604 0.00 0 381 B
|
||||
ATOM 3238 O O ? ASP Bxp 154 ? 17.212 58.730 41.018 -2.14 0 381 B
|
||||
ATOM 3239 C CB ? ASP Bxp 154 ? 15.520 56.620 41.941 0.00 0 381 B
|
||||
ATOM 3240 C CG ? ASP Bxp 154 ? 15.630 55.631 40.804 0.00 0 381 B
|
||||
ATOM 3241 O OD1 ? ASP Bxp 154 ? 16.754 55.332 40.331 -1.07 0 381 B
|
||||
ATOM 3242 O OD2 ? ASP Bxp 154 ? 14.601 55.095 40.376 -2.28 0 381 B
|
||||
ATOM 3245 C C ? PHE Bxp 155 ? 19.859 57.712 39.087 0.00 0 382 B
|
||||
ATOM 3246 O O ? PHE Bxp 155 ? 20.558 58.316 38.318 -3.21 0 382 B
|
||||
ATOM 3254 N N ? GLY Bxp 156 ? 19.098 56.710 38.688 0.00 0 383 B
|
||||
ATOM 3255 C CA ? GLY Bxp 156 ? 19.014 56.342 37.269 0.00 0 383 B
|
||||
ATOM 2389 N NZ ? LYS Bxp 44 ? 17.801 61.554 36.438 -1.51 0 271 B
|
||||
ATOM 2454 O O ? GLU Bxp 55 ? 11.608 61.345 33.284 -1.88 0 282 B
|
||||
ATOM 2485 C CA ? GLU Bxp 59 ? 10.598 61.833 36.936 0.00 0 286 B
|
||||
ATOM 2488 C CB ? GLU Bxp 59 ? 12.087 61.638 36.697 0.00 0 286 B
|
||||
ATOM 2489 C CG ? GLU Bxp 59 ? 12.912 61.584 38.000 0.00 0 286 B
|
||||
ATOM 2490 C CD ? GLU Bxp 59 ? 14.404 61.663 37.759 0.00 0 286 B
|
||||
ATOM 2491 O OE1 ? GLU Bxp 59 ? 14.831 61.607 36.581 0.00 0 286 B
|
||||
ATOM 2492 O OE2 ? GLU Bxp 59 ? 15.137 61.777 38.754 -1.07 0 286 B
|
||||
ATOM 3237 C C ? ASP Bxp 154 ? 17.708 57.721 41.604 0.00 0 381 B
|
||||
ATOM 3238 O O ? ASP Bxp 154 ? 17.212 58.730 41.018 -2.14 0 381 B
|
||||
ATOM 3239 C CB ? ASP Bxp 154 ? 15.520 56.620 41.941 0.00 0 381 B
|
||||
ATOM 3240 C CG ? ASP Bxp 154 ? 15.630 55.631 40.804 0.00 0 381 B
|
||||
ATOM 3241 O OD1 ? ASP Bxp 154 ? 16.754 55.332 40.331 -1.07 0 381 B
|
||||
ATOM 3242 O OD2 ? ASP Bxp 154 ? 14.601 55.095 40.376 -2.28 0 381 B
|
||||
ATOM 3245 C C ? PHE Bxp 155 ? 19.859 57.712 39.087 0.00 0 382 B
|
||||
ATOM 3246 O O ? PHE Bxp 155 ? 20.558 58.316 38.318 -3.21 0 382 B
|
||||
ATOM 3254 N N ? GLY Bxp 156 ? 19.098 56.710 38.688 0.00 0 383 B
|
||||
ATOM 3255 C CA ? GLY Bxp 156 ? 19.014 56.342 37.269 0.00 0 383 B
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 15:
|
||||
6 - Hydrophobicity Score : 57.6667
|
||||
7 - Polarity Score : 0
|
||||
8 - Amino Acid based volume Score : 3.5833
|
||||
9 - Pocket volume (Monte Carlo) : 223.1380
|
||||
9 - Pocket volume (Monte Carlo) : 222.3455
|
||||
10 -Pocket volume (convex hull) : 14.5929
|
||||
11 - Charge Score : 0
|
||||
12 - Local hydrophobic density Score : 33.0000
|
||||
@@ -39,29 +39,29 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 3639 C CA ? ALA Bxp 206 ? 25.485 44.511 57.685 0.00 0 433 B
|
||||
ATOM 2914 C CD1 ? LEU Bxp 113 ? 26.128 47.415 60.882 0.00 0 340 B
|
||||
ATOM 3642 C CB ? ALA Bxp 206 ? 24.633 43.235 57.872 0.00 0 433 B
|
||||
ATOM 3641 O O ? ALA Bxp 206 ? 27.664 43.745 58.449 -4.29 0 433 B
|
||||
ATOM 2922 C CD1 ? LEU Bxp 114 ? 18.369 46.670 63.743 0.00 0 341 B
|
||||
ATOM 3902 C CD ? PRO Bxp 238 ? 22.462 42.067 63.671 0.00 0 465 B
|
||||
ATOM 2892 O O ? ALA Bxp 110 ? 23.079 48.277 64.744 -3.21 0 337 B
|
||||
ATOM 3901 C CG ? PRO Bxp 238 ? 21.818 42.336 65.023 0.00 0 465 B
|
||||
ATOM 3919 C CG2 ? VAL Bxp 241 ? 18.754 43.171 62.407 0.00 0 468 B
|
||||
ATOM 2890 C CA ? ALA Bxp 110 ? 25.351 47.954 65.540 0.00 0 337 B
|
||||
ATOM 3918 C CG1 ? VAL Bxp 241 ? 19.352 42.826 59.944 0.00 0 468 B
|
||||
ATOM 3895 S SG ? CYS Bxp 237 ? 22.468 40.332 60.148 0.00 0 464 B
|
||||
ATOM 2893 C CB ? ALA Bxp 110 ? 25.301 47.008 66.740 0.00 0 337 B
|
||||
ATOM 2916 N N ? LEU Bxp 114 ? 21.229 49.545 62.399 -2.19 0 341 B
|
||||
ATOM 3889 O O ? GLY Bxp 236 ? 25.751 41.531 64.057 0.00 0 463 B
|
||||
ATOM 2912 C CB ? LEU Bxp 113 ? 24.074 48.764 61.348 0.00 0 340 B
|
||||
ATOM 2917 C CA ? LEU Bxp 114 ? 19.825 49.298 62.629 0.00 0 341 B
|
||||
ATOM 4130 C CE1 ? PHE Bxp 266 ? 16.326 46.124 60.459 0.00 0 493 B
|
||||
ATOM 2948 C CB ? ALA Bxp 117 ? 17.953 48.663 58.385 0.00 0 344 B
|
||||
ATOM 2910 C C ? LEU Bxp 113 ? 21.785 49.807 61.241 0.00 0 340 B
|
||||
ATOM 3891 C CA ? CYS Bxp 237 ? 24.487 40.444 62.093 0.00 0 464 B
|
||||
ATOM 2911 O O ? LEU Bxp 113 ? 21.152 49.905 60.239 0.00 0 340 B
|
||||
ATOM 3636 C CG2 ? ILE Bxp 205 ? 23.388 48.453 57.534 0.00 0 432 B
|
||||
ATOM 3602 O O ? LEU Bxp 202 ? 22.353 44.476 55.620 -1.07 0 429 B
|
||||
ATOM 3606 C CD2 ? LEU Bxp 202 ? 18.004 45.680 56.609 0.00 0 429 B
|
||||
ATOM 3639 C CA ? ALA Bxp 206 ? 25.485 44.511 57.685 0.00 0 433 B
|
||||
ATOM 2914 C CD1 ? LEU Bxp 113 ? 26.128 47.415 60.882 0.00 0 340 B
|
||||
ATOM 3642 C CB ? ALA Bxp 206 ? 24.633 43.235 57.872 0.00 0 433 B
|
||||
ATOM 3641 O O ? ALA Bxp 206 ? 27.664 43.745 58.449 -4.29 0 433 B
|
||||
ATOM 2922 C CD1 ? LEU Bxp 114 ? 18.369 46.670 63.743 0.00 0 341 B
|
||||
ATOM 3902 C CD ? PRO Bxp 238 ? 22.462 42.067 63.671 0.00 0 465 B
|
||||
ATOM 2892 O O ? ALA Bxp 110 ? 23.079 48.277 64.744 -3.21 0 337 B
|
||||
ATOM 3901 C CG ? PRO Bxp 238 ? 21.818 42.336 65.023 0.00 0 465 B
|
||||
ATOM 3919 C CG2 ? VAL Bxp 241 ? 18.754 43.171 62.407 0.00 0 468 B
|
||||
ATOM 2890 C CA ? ALA Bxp 110 ? 25.351 47.954 65.540 0.00 0 337 B
|
||||
ATOM 3918 C CG1 ? VAL Bxp 241 ? 19.352 42.826 59.944 0.00 0 468 B
|
||||
ATOM 3895 S SG ? CYS Bxp 237 ? 22.468 40.332 60.148 0.00 0 464 B
|
||||
ATOM 2893 C CB ? ALA Bxp 110 ? 25.301 47.008 66.740 0.00 0 337 B
|
||||
ATOM 2916 N N ? LEU Bxp 114 ? 21.229 49.545 62.399 -2.19 0 341 B
|
||||
ATOM 3889 O O ? GLY Bxp 236 ? 25.751 41.531 64.057 0.00 0 463 B
|
||||
ATOM 2912 C CB ? LEU Bxp 113 ? 24.074 48.764 61.348 0.00 0 340 B
|
||||
ATOM 2917 C CA ? LEU Bxp 114 ? 19.825 49.298 62.629 0.00 0 341 B
|
||||
ATOM 4130 C CE1 ? PHE Bxp 266 ? 16.326 46.124 60.459 0.00 0 493 B
|
||||
ATOM 2948 C CB ? ALA Bxp 117 ? 17.953 48.663 58.385 0.00 0 344 B
|
||||
ATOM 2910 C C ? LEU Bxp 113 ? 21.785 49.807 61.241 0.00 0 340 B
|
||||
ATOM 3891 C CA ? CYS Bxp 237 ? 24.487 40.444 62.093 0.00 0 464 B
|
||||
ATOM 2911 O O ? LEU Bxp 113 ? 21.152 49.905 60.239 0.00 0 340 B
|
||||
ATOM 3636 C CG2 ? ILE Bxp 205 ? 23.388 48.453 57.534 0.00 0 432 B
|
||||
ATOM 3602 O O ? LEU Bxp 202 ? 22.353 44.476 55.620 -1.07 0 429 B
|
||||
ATOM 3606 C CD2 ? LEU Bxp 202 ? 18.004 45.680 56.609 0.00 0 429 B
|
||||
#
|
||||
|
||||
@@ -17,51 +17,51 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 2889 N N ? ALA Bxp 110 ? 26.627 48.705 65.568 -4.79 0 337 B
|
||||
ATOM 2890 C CA ? ALA Bxp 110 ? 25.351 47.954 65.540 0.00 0 337 B
|
||||
ATOM 2891 C C ? ALA Bxp 110 ? 24.009 48.706 65.482 0.00 0 337 B
|
||||
ATOM 2892 O O ? ALA Bxp 110 ? 23.079 48.277 64.744 -3.21 0 337 B
|
||||
ATOM 2893 C CB ? ALA Bxp 110 ? 25.301 47.008 66.740 0.00 0 337 B
|
||||
ATOM 2909 C CA ? LEU Bxp 113 ? 23.279 50.062 61.281 0.00 0 340 B
|
||||
ATOM 2910 C C ? LEU Bxp 113 ? 21.785 49.807 61.241 0.00 0 340 B
|
||||
ATOM 2911 O O ? LEU Bxp 113 ? 21.152 49.905 60.239 0.00 0 340 B
|
||||
ATOM 2912 C CB ? LEU Bxp 113 ? 24.074 48.764 61.348 0.00 0 340 B
|
||||
ATOM 2913 C CG ? LEU Bxp 113 ? 25.603 48.823 61.065 0.00 0 340 B
|
||||
ATOM 2914 C CD1 ? LEU Bxp 113 ? 26.128 47.415 60.882 0.00 0 340 B
|
||||
ATOM 2916 N N ? LEU Bxp 114 ? 21.229 49.545 62.399 -2.19 0 341 B
|
||||
ATOM 2917 C CA ? LEU Bxp 114 ? 19.825 49.298 62.629 0.00 0 341 B
|
||||
ATOM 2920 C CB ? LEU Bxp 114 ? 19.727 48.806 64.061 0.00 0 341 B
|
||||
ATOM 2921 C CG ? LEU Bxp 114 ? 18.632 47.903 64.623 0.00 0 341 B
|
||||
ATOM 2922 C CD1 ? LEU Bxp 114 ? 18.369 46.670 63.743 0.00 0 341 B
|
||||
ATOM 2923 C CD2 ? LEU Bxp 114 ? 19.208 47.511 65.968 0.00 0 341 B
|
||||
ATOM 2948 C CB ? ALA Bxp 117 ? 17.953 48.663 58.385 0.00 0 344 B
|
||||
ATOM 3600 C CA ? LEU Bxp 202 ? 20.271 44.948 54.579 0.00 0 429 B
|
||||
ATOM 3601 C C ? LEU Bxp 202 ? 21.600 44.222 54.708 0.00 0 429 B
|
||||
ATOM 3602 O O ? LEU Bxp 202 ? 22.353 44.476 55.620 -1.07 0 429 B
|
||||
ATOM 3603 C CB ? LEU Bxp 202 ? 19.212 44.020 55.190 0.00 0 429 B
|
||||
ATOM 3604 C CG ? LEU Bxp 202 ? 17.876 44.597 55.580 0.00 0 429 B
|
||||
ATOM 3606 C CD2 ? LEU Bxp 202 ? 18.004 45.680 56.609 0.00 0 429 B
|
||||
ATOM 3632 C C ? ILE Bxp 205 ? 25.327 46.616 56.447 0.00 0 432 B
|
||||
ATOM 3634 C CB ? ILE Bxp 205 ? 23.228 47.890 56.077 0.00 0 432 B
|
||||
ATOM 3636 C CG2 ? ILE Bxp 205 ? 23.388 48.453 57.534 0.00 0 432 B
|
||||
ATOM 3638 N N ? ALA Bxp 206 ? 24.907 45.366 56.637 0.00 0 433 B
|
||||
ATOM 3639 C CA ? ALA Bxp 206 ? 25.485 44.511 57.685 0.00 0 433 B
|
||||
ATOM 3640 C C ? ALA Bxp 206 ? 26.979 44.157 57.488 0.00 0 433 B
|
||||
ATOM 3641 O O ? ALA Bxp 206 ? 27.664 43.745 58.449 -4.29 0 433 B
|
||||
ATOM 3642 C CB ? ALA Bxp 206 ? 24.633 43.235 57.872 0.00 0 433 B
|
||||
ATOM 3888 C C ? GLY Bxp 236 ? 26.369 40.695 63.407 0.00 0 463 B
|
||||
ATOM 3889 O O ? GLY Bxp 236 ? 25.751 41.531 64.057 0.00 0 463 B
|
||||
ATOM 3890 N N ? CYS Bxp 237 ? 25.765 39.993 62.462 0.00 0 464 B
|
||||
ATOM 3891 C CA ? CYS Bxp 237 ? 24.487 40.444 62.093 0.00 0 464 B
|
||||
ATOM 3894 C CB ? CYS Bxp 237 ? 24.207 40.164 60.619 0.00 0 464 B
|
||||
ATOM 3895 S SG ? CYS Bxp 237 ? 22.468 40.332 60.148 0.00 0 464 B
|
||||
ATOM 3896 N N ? PRO Bxp 238 ? 22.623 40.597 63.684 0.00 0 465 B
|
||||
ATOM 3901 C CG ? PRO Bxp 238 ? 21.818 42.336 65.023 0.00 0 465 B
|
||||
ATOM 3902 C CD ? PRO Bxp 238 ? 22.462 42.067 63.671 0.00 0 465 B
|
||||
ATOM 3917 C CB ? VAL Bxp 241 ? 19.067 42.132 61.337 0.00 0 468 B
|
||||
ATOM 3918 C CG1 ? VAL Bxp 241 ? 19.352 42.826 59.944 0.00 0 468 B
|
||||
ATOM 3919 C CG2 ? VAL Bxp 241 ? 18.754 43.171 62.407 0.00 0 468 B
|
||||
ATOM 4128 C CD1 ? PHE Bxp 266 ? 15.519 46.953 61.239 0.00 0 493 B
|
||||
ATOM 4130 C CE1 ? PHE Bxp 266 ? 16.326 46.124 60.459 0.00 0 493 B
|
||||
ATOM 4132 C CZ ? PHE Bxp 266 ? 15.850 45.610 59.310 0.00 0 493 B
|
||||
ATOM 2889 N N ? ALA Bxp 110 ? 26.627 48.705 65.568 -4.79 0 337 B
|
||||
ATOM 2890 C CA ? ALA Bxp 110 ? 25.351 47.954 65.540 0.00 0 337 B
|
||||
ATOM 2891 C C ? ALA Bxp 110 ? 24.009 48.706 65.482 0.00 0 337 B
|
||||
ATOM 2892 O O ? ALA Bxp 110 ? 23.079 48.277 64.744 -3.21 0 337 B
|
||||
ATOM 2893 C CB ? ALA Bxp 110 ? 25.301 47.008 66.740 0.00 0 337 B
|
||||
ATOM 2909 C CA ? LEU Bxp 113 ? 23.279 50.062 61.281 0.00 0 340 B
|
||||
ATOM 2910 C C ? LEU Bxp 113 ? 21.785 49.807 61.241 0.00 0 340 B
|
||||
ATOM 2911 O O ? LEU Bxp 113 ? 21.152 49.905 60.239 0.00 0 340 B
|
||||
ATOM 2912 C CB ? LEU Bxp 113 ? 24.074 48.764 61.348 0.00 0 340 B
|
||||
ATOM 2913 C CG ? LEU Bxp 113 ? 25.603 48.823 61.065 0.00 0 340 B
|
||||
ATOM 2914 C CD1 ? LEU Bxp 113 ? 26.128 47.415 60.882 0.00 0 340 B
|
||||
ATOM 2916 N N ? LEU Bxp 114 ? 21.229 49.545 62.399 -2.19 0 341 B
|
||||
ATOM 2917 C CA ? LEU Bxp 114 ? 19.825 49.298 62.629 0.00 0 341 B
|
||||
ATOM 2920 C CB ? LEU Bxp 114 ? 19.727 48.806 64.061 0.00 0 341 B
|
||||
ATOM 2921 C CG ? LEU Bxp 114 ? 18.632 47.903 64.623 0.00 0 341 B
|
||||
ATOM 2922 C CD1 ? LEU Bxp 114 ? 18.369 46.670 63.743 0.00 0 341 B
|
||||
ATOM 2923 C CD2 ? LEU Bxp 114 ? 19.208 47.511 65.968 0.00 0 341 B
|
||||
ATOM 2948 C CB ? ALA Bxp 117 ? 17.953 48.663 58.385 0.00 0 344 B
|
||||
ATOM 3600 C CA ? LEU Bxp 202 ? 20.271 44.948 54.579 0.00 0 429 B
|
||||
ATOM 3601 C C ? LEU Bxp 202 ? 21.600 44.222 54.708 0.00 0 429 B
|
||||
ATOM 3602 O O ? LEU Bxp 202 ? 22.353 44.476 55.620 -1.07 0 429 B
|
||||
ATOM 3603 C CB ? LEU Bxp 202 ? 19.212 44.020 55.190 0.00 0 429 B
|
||||
ATOM 3604 C CG ? LEU Bxp 202 ? 17.876 44.597 55.580 0.00 0 429 B
|
||||
ATOM 3606 C CD2 ? LEU Bxp 202 ? 18.004 45.680 56.609 0.00 0 429 B
|
||||
ATOM 3632 C C ? ILE Bxp 205 ? 25.327 46.616 56.447 0.00 0 432 B
|
||||
ATOM 3634 C CB ? ILE Bxp 205 ? 23.228 47.890 56.077 0.00 0 432 B
|
||||
ATOM 3636 C CG2 ? ILE Bxp 205 ? 23.388 48.453 57.534 0.00 0 432 B
|
||||
ATOM 3638 N N ? ALA Bxp 206 ? 24.907 45.366 56.637 0.00 0 433 B
|
||||
ATOM 3639 C CA ? ALA Bxp 206 ? 25.485 44.511 57.685 0.00 0 433 B
|
||||
ATOM 3640 C C ? ALA Bxp 206 ? 26.979 44.157 57.488 0.00 0 433 B
|
||||
ATOM 3641 O O ? ALA Bxp 206 ? 27.664 43.745 58.449 -4.29 0 433 B
|
||||
ATOM 3642 C CB ? ALA Bxp 206 ? 24.633 43.235 57.872 0.00 0 433 B
|
||||
ATOM 3888 C C ? GLY Bxp 236 ? 26.369 40.695 63.407 0.00 0 463 B
|
||||
ATOM 3889 O O ? GLY Bxp 236 ? 25.751 41.531 64.057 0.00 0 463 B
|
||||
ATOM 3890 N N ? CYS Bxp 237 ? 25.765 39.993 62.462 0.00 0 464 B
|
||||
ATOM 3891 C CA ? CYS Bxp 237 ? 24.487 40.444 62.093 0.00 0 464 B
|
||||
ATOM 3894 C CB ? CYS Bxp 237 ? 24.207 40.164 60.619 0.00 0 464 B
|
||||
ATOM 3895 S SG ? CYS Bxp 237 ? 22.468 40.332 60.148 0.00 0 464 B
|
||||
ATOM 3896 N N ? PRO Bxp 238 ? 22.623 40.597 63.684 0.00 0 465 B
|
||||
ATOM 3901 C CG ? PRO Bxp 238 ? 21.818 42.336 65.023 0.00 0 465 B
|
||||
ATOM 3902 C CD ? PRO Bxp 238 ? 22.462 42.067 63.671 0.00 0 465 B
|
||||
ATOM 3917 C CB ? VAL Bxp 241 ? 19.067 42.132 61.337 0.00 0 468 B
|
||||
ATOM 3918 C CG1 ? VAL Bxp 241 ? 19.352 42.826 59.944 0.00 0 468 B
|
||||
ATOM 3919 C CG2 ? VAL Bxp 241 ? 18.754 43.171 62.407 0.00 0 468 B
|
||||
ATOM 4128 C CD1 ? PHE Bxp 266 ? 15.519 46.953 61.239 0.00 0 493 B
|
||||
ATOM 4130 C CE1 ? PHE Bxp 266 ? 16.326 46.124 60.459 0.00 0 493 B
|
||||
ATOM 4132 C CZ ? PHE Bxp 266 ? 15.850 45.610 59.310 0.00 0 493 B
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 16:
|
||||
6 - Hydrophobicity Score : 11.6923
|
||||
7 - Polarity Score : 9
|
||||
8 - Amino Acid based volume Score : 4.5385
|
||||
9 - Pocket volume (Monte Carlo) : 373.4439
|
||||
9 - Pocket volume (Monte Carlo) : 372.5160
|
||||
10 -Pocket volume (convex hull) : 34.1542
|
||||
11 - Charge Score : 0
|
||||
12 - Local hydrophobic density Score : 6.5000
|
||||
@@ -39,25 +39,25 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 7853 C CA ? SER Dxp 211 ? 42.974 31.063 42.423 0.00 0 438 D
|
||||
ATOM 7600 C CH2 ? TRP Dxp 178 ? 43.960 26.363 45.206 0.00 0 405 D
|
||||
ATOM 7847 O O ? MET Dxp 210 ? 44.036 29.741 40.141 -1.07 0 437 D
|
||||
ATOM 7857 O OG ? SER Dxp 211 ? 44.316 32.109 43.942 0.00 0 438 D
|
||||
ATOM 7598 C CZ2 ? TRP Dxp 178 ? 44.202 25.607 44.069 0.00 0 405 D
|
||||
ATOM 7864 C CD ? PRO Dxp 212 ? 41.974 28.366 43.102 0.00 0 439 D
|
||||
ATOM 7302 C CB ? ARG Dxp 140 ? 50.864 24.591 44.728 0.00 0 367 D
|
||||
ATOM 6415 N NE2 ? GLN Dxp 25 ? 56.420 27.531 45.718 -0.42 0 252 D
|
||||
ATOM 6936 N ND2 ? ASN Dxp 95 ? 54.321 26.577 41.672 0.00 0 322 D
|
||||
ATOM 6952 C CD2 ? LEU Dxp 97 ? 49.815 28.277 43.031 0.00 0 324 D
|
||||
ATOM 7493 O OG1 ? THR Dxp 165 ? 46.860 28.337 49.111 -0.95 0 392 D
|
||||
ATOM 7307 N NH1 ? ARG Dxp 140 ? 46.275 24.168 46.062 0.00 0 367 D
|
||||
ATOM 7304 C CD ? ARG Dxp 140 ? 49.165 24.333 46.741 0.00 0 367 D
|
||||
ATOM 7468 C CE ? MET Dxp 161 ? 51.743 26.507 49.224 0.00 0 388 D
|
||||
ATOM 6959 O OD1 ? ASP Dxp 98 ? 54.141 30.867 42.252 -4.02 0 325 D
|
||||
ATOM 7806 O OE1 ? GLU Dxp 204 ? 46.278 25.826 41.102 -2.14 0 431 D
|
||||
ATOM 6960 O OD2 ? ASP Dxp 98 ? 55.820 29.536 42.600 -2.55 0 325 D
|
||||
ATOM 6991 N NH2 ? ARG Dxp 101 ? 47.806 31.880 42.344 -2.61 0 328 D
|
||||
ATOM 6951 C CD1 ? LEU Dxp 97 ? 48.963 28.362 40.622 0.00 0 324 D
|
||||
ATOM 6990 N NH1 ? ARG Dxp 101 ? 49.983 32.573 42.931 -3.70 0 328 D
|
||||
ATOM 7467 S SD ? MET Dxp 161 ? 50.163 27.152 49.858 0.00 0 388 D
|
||||
ATOM 7853 C CA ? SER Dxp 211 ? 42.974 31.063 42.423 0.00 0 438 D
|
||||
ATOM 7600 C CH2 ? TRP Dxp 178 ? 43.960 26.363 45.206 0.00 0 405 D
|
||||
ATOM 7847 O O ? MET Dxp 210 ? 44.036 29.741 40.141 -1.07 0 437 D
|
||||
ATOM 7857 O OG ? SER Dxp 211 ? 44.316 32.109 43.942 0.00 0 438 D
|
||||
ATOM 7598 C CZ2 ? TRP Dxp 178 ? 44.202 25.607 44.069 0.00 0 405 D
|
||||
ATOM 7864 C CD ? PRO Dxp 212 ? 41.974 28.366 43.102 0.00 0 439 D
|
||||
ATOM 7302 C CB ? ARG Dxp 140 ? 50.864 24.591 44.728 0.00 0 367 D
|
||||
ATOM 6415 N NE2 ? GLN Dxp 25 ? 56.420 27.531 45.718 -0.42 0 252 D
|
||||
ATOM 6936 N ND2 ? ASN Dxp 95 ? 54.321 26.577 41.672 0.00 0 322 D
|
||||
ATOM 6952 C CD2 ? LEU Dxp 97 ? 49.815 28.277 43.031 0.00 0 324 D
|
||||
ATOM 7493 O OG1 ? THR Dxp 165 ? 46.860 28.337 49.111 -0.95 0 392 D
|
||||
ATOM 7307 N NH1 ? ARG Dxp 140 ? 46.275 24.168 46.062 0.00 0 367 D
|
||||
ATOM 7304 C CD ? ARG Dxp 140 ? 49.165 24.333 46.741 0.00 0 367 D
|
||||
ATOM 7468 C CE ? MET Dxp 161 ? 51.743 26.507 49.224 0.00 0 388 D
|
||||
ATOM 6959 O OD1 ? ASP Dxp 98 ? 54.141 30.867 42.252 -4.02 0 325 D
|
||||
ATOM 7806 O OE1 ? GLU Dxp 204 ? 46.278 25.826 41.102 -2.14 0 431 D
|
||||
ATOM 6960 O OD2 ? ASP Dxp 98 ? 55.820 29.536 42.600 -2.55 0 325 D
|
||||
ATOM 6991 N NH2 ? ARG Dxp 101 ? 47.806 31.880 42.344 -2.61 0 328 D
|
||||
ATOM 6951 C CD1 ? LEU Dxp 97 ? 48.963 28.362 40.622 0.00 0 324 D
|
||||
ATOM 6990 N NH1 ? ARG Dxp 101 ? 49.983 32.573 42.931 -3.70 0 328 D
|
||||
ATOM 7467 S SD ? MET Dxp 161 ? 50.163 27.152 49.858 0.00 0 388 D
|
||||
#
|
||||
|
||||
@@ -17,49 +17,49 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 6412 C CG ? GLN Dxp 25 ? 57.187 27.871 48.035 0.00 0 252 D
|
||||
ATOM 6413 C CD ? GLN Dxp 25 ? 57.407 27.989 46.515 0.00 0 252 D
|
||||
ATOM 6415 N NE2 ? GLN Dxp 25 ? 56.420 27.531 45.718 -0.42 0 252 D
|
||||
ATOM 6934 C CG ? ASN Dxp 95 ? 55.423 26.157 42.216 0.00 0 322 D
|
||||
ATOM 6935 O OD1 ? ASN Dxp 95 ? 56.159 26.889 42.866 -2.14 0 322 D
|
||||
ATOM 6936 N ND2 ? ASN Dxp 95 ? 54.321 26.577 41.672 0.00 0 322 D
|
||||
ATOM 6949 C CB ? LEU Dxp 97 ? 51.235 27.362 41.089 0.00 0 324 D
|
||||
ATOM 6950 C CG ? LEU Dxp 97 ? 50.200 28.423 41.537 0.00 0 324 D
|
||||
ATOM 6951 C CD1 ? LEU Dxp 97 ? 48.963 28.362 40.622 0.00 0 324 D
|
||||
ATOM 6952 C CD2 ? LEU Dxp 97 ? 49.815 28.277 43.031 0.00 0 324 D
|
||||
ATOM 6958 C CG ? ASP Dxp 98 ? 55.143 30.209 41.861 0.00 0 325 D
|
||||
ATOM 6959 O OD1 ? ASP Dxp 98 ? 54.141 30.867 42.252 -4.02 0 325 D
|
||||
ATOM 6960 O OD2 ? ASP Dxp 98 ? 55.820 29.536 42.600 -2.55 0 325 D
|
||||
ATOM 6989 C CZ ? ARG Dxp 101 ? 49.039 32.250 41.984 0.00 0 328 D
|
||||
ATOM 6990 N NH1 ? ARG Dxp 101 ? 49.983 32.573 42.931 -3.70 0 328 D
|
||||
ATOM 6991 N NH2 ? ARG Dxp 101 ? 47.806 31.880 42.344 -2.61 0 328 D
|
||||
ATOM 7299 C CA ? ARG Dxp 140 ? 51.455 23.903 43.460 0.00 0 367 D
|
||||
ATOM 7302 C CB ? ARG Dxp 140 ? 50.864 24.591 44.728 0.00 0 367 D
|
||||
ATOM 7303 C CG ? ARG Dxp 140 ? 49.872 23.765 45.486 0.00 0 367 D
|
||||
ATOM 7304 C CD ? ARG Dxp 140 ? 49.165 24.333 46.741 0.00 0 367 D
|
||||
ATOM 7305 N NE ? ARG Dxp 140 ? 48.155 23.363 47.248 0.00 0 367 D
|
||||
ATOM 7306 C CZ ? ARG Dxp 140 ? 46.851 23.301 46.920 0.00 0 367 D
|
||||
ATOM 7307 N NH1 ? ARG Dxp 140 ? 46.275 24.168 46.062 0.00 0 367 D
|
||||
ATOM 7466 C CG ? MET Dxp 161 ? 50.568 27.737 51.524 0.00 0 388 D
|
||||
ATOM 7467 S SD ? MET Dxp 161 ? 50.163 27.152 49.858 0.00 0 388 D
|
||||
ATOM 7468 C CE ? MET Dxp 161 ? 51.743 26.507 49.224 0.00 0 388 D
|
||||
ATOM 7486 O OD1 ? ASP Dxp 164 ? 44.010 31.506 50.068 0.00 0 391 D
|
||||
ATOM 7492 C CB ? THR Dxp 165 ? 46.378 27.253 49.907 0.00 0 392 D
|
||||
ATOM 7493 O OG1 ? THR Dxp 165 ? 46.860 28.337 49.111 -0.95 0 392 D
|
||||
ATOM 7494 C CG2 ? THR Dxp 165 ? 46.295 26.043 49.013 0.00 0 392 D
|
||||
ATOM 7598 C CZ2 ? TRP Dxp 178 ? 44.202 25.607 44.069 0.00 0 405 D
|
||||
ATOM 7599 C CZ3 ? TRP Dxp 178 ? 43.261 25.813 46.311 0.00 0 405 D
|
||||
ATOM 7600 C CH2 ? TRP Dxp 178 ? 43.960 26.363 45.206 0.00 0 405 D
|
||||
ATOM 7805 C CD ? GLU Dxp 204 ? 45.509 25.019 40.553 0.00 0 431 D
|
||||
ATOM 7806 O OE1 ? GLU Dxp 204 ? 46.278 25.826 41.102 -2.14 0 431 D
|
||||
ATOM 7843 O O ? GLY Dxp 209 ? 46.861 31.370 39.639 -1.07 0 436 D
|
||||
ATOM 7846 C C ? MET Dxp 210 ? 43.952 30.964 40.187 0.00 0 437 D
|
||||
ATOM 7847 O O ? MET Dxp 210 ? 44.036 29.741 40.141 -1.07 0 437 D
|
||||
ATOM 7852 N N ? SER Dxp 211 ? 43.574 31.652 41.258 -1.51 0 438 D
|
||||
ATOM 7853 C CA ? SER Dxp 211 ? 42.974 31.063 42.423 0.00 0 438 D
|
||||
ATOM 7854 C C ? SER Dxp 211 ? 41.591 30.664 42.075 0.00 0 438 D
|
||||
ATOM 7856 C CB ? SER Dxp 211 ? 42.985 32.055 43.579 0.00 0 438 D
|
||||
ATOM 7857 O OG ? SER Dxp 211 ? 44.316 32.109 43.942 0.00 0 438 D
|
||||
ATOM 7858 N N ? PRO Dxp 212 ? 41.244 29.428 42.388 0.00 0 439 D
|
||||
ATOM 7864 C CD ? PRO Dxp 212 ? 41.974 28.366 43.102 0.00 0 439 D
|
||||
ATOM 6412 C CG ? GLN Dxp 25 ? 57.187 27.871 48.035 0.00 0 252 D
|
||||
ATOM 6413 C CD ? GLN Dxp 25 ? 57.407 27.989 46.515 0.00 0 252 D
|
||||
ATOM 6415 N NE2 ? GLN Dxp 25 ? 56.420 27.531 45.718 -0.42 0 252 D
|
||||
ATOM 6934 C CG ? ASN Dxp 95 ? 55.423 26.157 42.216 0.00 0 322 D
|
||||
ATOM 6935 O OD1 ? ASN Dxp 95 ? 56.159 26.889 42.866 -2.14 0 322 D
|
||||
ATOM 6936 N ND2 ? ASN Dxp 95 ? 54.321 26.577 41.672 0.00 0 322 D
|
||||
ATOM 6949 C CB ? LEU Dxp 97 ? 51.235 27.362 41.089 0.00 0 324 D
|
||||
ATOM 6950 C CG ? LEU Dxp 97 ? 50.200 28.423 41.537 0.00 0 324 D
|
||||
ATOM 6951 C CD1 ? LEU Dxp 97 ? 48.963 28.362 40.622 0.00 0 324 D
|
||||
ATOM 6952 C CD2 ? LEU Dxp 97 ? 49.815 28.277 43.031 0.00 0 324 D
|
||||
ATOM 6958 C CG ? ASP Dxp 98 ? 55.143 30.209 41.861 0.00 0 325 D
|
||||
ATOM 6959 O OD1 ? ASP Dxp 98 ? 54.141 30.867 42.252 -4.02 0 325 D
|
||||
ATOM 6960 O OD2 ? ASP Dxp 98 ? 55.820 29.536 42.600 -2.55 0 325 D
|
||||
ATOM 6989 C CZ ? ARG Dxp 101 ? 49.039 32.250 41.984 0.00 0 328 D
|
||||
ATOM 6990 N NH1 ? ARG Dxp 101 ? 49.983 32.573 42.931 -3.70 0 328 D
|
||||
ATOM 6991 N NH2 ? ARG Dxp 101 ? 47.806 31.880 42.344 -2.61 0 328 D
|
||||
ATOM 7299 C CA ? ARG Dxp 140 ? 51.455 23.903 43.460 0.00 0 367 D
|
||||
ATOM 7302 C CB ? ARG Dxp 140 ? 50.864 24.591 44.728 0.00 0 367 D
|
||||
ATOM 7303 C CG ? ARG Dxp 140 ? 49.872 23.765 45.486 0.00 0 367 D
|
||||
ATOM 7304 C CD ? ARG Dxp 140 ? 49.165 24.333 46.741 0.00 0 367 D
|
||||
ATOM 7305 N NE ? ARG Dxp 140 ? 48.155 23.363 47.248 0.00 0 367 D
|
||||
ATOM 7306 C CZ ? ARG Dxp 140 ? 46.851 23.301 46.920 0.00 0 367 D
|
||||
ATOM 7307 N NH1 ? ARG Dxp 140 ? 46.275 24.168 46.062 0.00 0 367 D
|
||||
ATOM 7466 C CG ? MET Dxp 161 ? 50.568 27.737 51.524 0.00 0 388 D
|
||||
ATOM 7467 S SD ? MET Dxp 161 ? 50.163 27.152 49.858 0.00 0 388 D
|
||||
ATOM 7468 C CE ? MET Dxp 161 ? 51.743 26.507 49.224 0.00 0 388 D
|
||||
ATOM 7486 O OD1 ? ASP Dxp 164 ? 44.010 31.506 50.068 0.00 0 391 D
|
||||
ATOM 7492 C CB ? THR Dxp 165 ? 46.378 27.253 49.907 0.00 0 392 D
|
||||
ATOM 7493 O OG1 ? THR Dxp 165 ? 46.860 28.337 49.111 -0.95 0 392 D
|
||||
ATOM 7494 C CG2 ? THR Dxp 165 ? 46.295 26.043 49.013 0.00 0 392 D
|
||||
ATOM 7598 C CZ2 ? TRP Dxp 178 ? 44.202 25.607 44.069 0.00 0 405 D
|
||||
ATOM 7599 C CZ3 ? TRP Dxp 178 ? 43.261 25.813 46.311 0.00 0 405 D
|
||||
ATOM 7600 C CH2 ? TRP Dxp 178 ? 43.960 26.363 45.206 0.00 0 405 D
|
||||
ATOM 7805 C CD ? GLU Dxp 204 ? 45.509 25.019 40.553 0.00 0 431 D
|
||||
ATOM 7806 O OE1 ? GLU Dxp 204 ? 46.278 25.826 41.102 -2.14 0 431 D
|
||||
ATOM 7843 O O ? GLY Dxp 209 ? 46.861 31.370 39.639 -1.07 0 436 D
|
||||
ATOM 7846 C C ? MET Dxp 210 ? 43.952 30.964 40.187 0.00 0 437 D
|
||||
ATOM 7847 O O ? MET Dxp 210 ? 44.036 29.741 40.141 -1.07 0 437 D
|
||||
ATOM 7852 N N ? SER Dxp 211 ? 43.574 31.652 41.258 -1.51 0 438 D
|
||||
ATOM 7853 C CA ? SER Dxp 211 ? 42.974 31.063 42.423 0.00 0 438 D
|
||||
ATOM 7854 C C ? SER Dxp 211 ? 41.591 30.664 42.075 0.00 0 438 D
|
||||
ATOM 7856 C CB ? SER Dxp 211 ? 42.985 32.055 43.579 0.00 0 438 D
|
||||
ATOM 7857 O OG ? SER Dxp 211 ? 44.316 32.109 43.942 0.00 0 438 D
|
||||
ATOM 7858 N N ? PRO Dxp 212 ? 41.244 29.428 42.388 0.00 0 439 D
|
||||
ATOM 7864 C CD ? PRO Dxp 212 ? 41.974 28.366 43.102 0.00 0 439 D
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 17:
|
||||
6 - Hydrophobicity Score : 12.0000
|
||||
7 - Polarity Score : 6
|
||||
8 - Amino Acid based volume Score : 4.0000
|
||||
9 - Pocket volume (Monte Carlo) : 154.3036
|
||||
9 - Pocket volume (Monte Carlo) : 155.6925
|
||||
10 -Pocket volume (convex hull) : 5.2942
|
||||
11 - Charge Score : 0
|
||||
12 - Local hydrophobic density Score : 0.0000
|
||||
@@ -39,19 +39,19 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 3171 O O ? GLY Bxp 145 ? 24.279 62.076 57.870 0.00 0 372 B
|
||||
ATOM 2751 C CE1 ? TYR Bxp 93 ? 27.916 64.065 57.675 0.00 0 320 B
|
||||
ATOM 3181 N N ? ASN Bxp 147 ? 24.353 63.017 61.460 -3.03 0 374 B
|
||||
ATOM 3189 N N ? HIS Bxp 148 ? 23.808 60.293 60.791 0.00 0 375 B
|
||||
ATOM 2872 O OE1 ? GLU Bxp 107 ? 31.484 58.761 62.681 -0.95 0 334 B
|
||||
ATOM 2752 C CE2 ? TYR Bxp 93 ? 30.166 63.254 57.309 0.00 0 320 B
|
||||
ATOM 2873 O OE2 ? GLU Bxp 107 ? 29.348 59.201 62.656 -7.90 0 334 B
|
||||
ATOM 2754 O OH ? TYR Bxp 93 ? 29.703 64.823 59.044 0.00 0 320 B
|
||||
ATOM 2753 C CZ ? TYR Bxp 93 ? 29.259 64.044 58.017 0.00 0 320 B
|
||||
ATOM 2837 N N ? ASN Bxp 104 ? 33.994 55.404 60.098 -1.09 0 331 B
|
||||
ATOM 2835 C CB ? CYS Bxp 103 ? 31.652 54.686 58.227 0.00 0 330 B
|
||||
ATOM 2832 C CA ? CYS Bxp 103 ? 33.088 55.081 57.860 0.00 0 330 B
|
||||
ATOM 3198 N NE2 ? HIS Bxp 148 ? 27.061 57.958 62.310 0.00 0 375 B
|
||||
ATOM 2802 O OH ? TYR Bxp 99 ? 28.273 57.952 59.075 -7.50 0 326 B
|
||||
ATOM 2799 C CE1 ? TYR Bxp 99 ? 29.022 58.408 56.848 0.00 0 326 B
|
||||
ATOM 3171 O O ? GLY Bxp 145 ? 24.279 62.076 57.870 0.00 0 372 B
|
||||
ATOM 2751 C CE1 ? TYR Bxp 93 ? 27.916 64.065 57.675 0.00 0 320 B
|
||||
ATOM 3181 N N ? ASN Bxp 147 ? 24.353 63.017 61.460 -3.03 0 374 B
|
||||
ATOM 3189 N N ? HIS Bxp 148 ? 23.808 60.293 60.791 0.00 0 375 B
|
||||
ATOM 2872 O OE1 ? GLU Bxp 107 ? 31.484 58.761 62.681 -0.95 0 334 B
|
||||
ATOM 2752 C CE2 ? TYR Bxp 93 ? 30.166 63.254 57.309 0.00 0 320 B
|
||||
ATOM 2873 O OE2 ? GLU Bxp 107 ? 29.348 59.201 62.656 -7.90 0 334 B
|
||||
ATOM 2754 O OH ? TYR Bxp 93 ? 29.703 64.823 59.044 0.00 0 320 B
|
||||
ATOM 2753 C CZ ? TYR Bxp 93 ? 29.259 64.044 58.017 0.00 0 320 B
|
||||
ATOM 2837 N N ? ASN Bxp 104 ? 33.994 55.404 60.098 -1.09 0 331 B
|
||||
ATOM 2835 C CB ? CYS Bxp 103 ? 31.652 54.686 58.227 0.00 0 330 B
|
||||
ATOM 2832 C CA ? CYS Bxp 103 ? 33.088 55.081 57.860 0.00 0 330 B
|
||||
ATOM 3198 N NE2 ? HIS Bxp 148 ? 27.061 57.958 62.310 0.00 0 375 B
|
||||
ATOM 2802 O OH ? TYR Bxp 99 ? 28.273 57.952 59.075 -7.50 0 326 B
|
||||
ATOM 2799 C CE1 ? TYR Bxp 99 ? 29.022 58.408 56.848 0.00 0 326 B
|
||||
#
|
||||
|
||||
@@ -17,38 +17,38 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 2748 C CG ? TYR Bxp 93 ? 28.347 62.433 55.906 0.00 0 320 B
|
||||
ATOM 2749 C CD1 ? TYR Bxp 93 ? 27.464 63.247 56.634 0.00 0 320 B
|
||||
ATOM 2750 C CD2 ? TYR Bxp 93 ? 29.699 62.458 56.235 0.00 0 320 B
|
||||
ATOM 2751 C CE1 ? TYR Bxp 93 ? 27.916 64.065 57.675 0.00 0 320 B
|
||||
ATOM 2752 C CE2 ? TYR Bxp 93 ? 30.166 63.254 57.309 0.00 0 320 B
|
||||
ATOM 2753 C CZ ? TYR Bxp 93 ? 29.259 64.044 58.017 0.00 0 320 B
|
||||
ATOM 2754 O OH ? TYR Bxp 93 ? 29.703 64.823 59.044 0.00 0 320 B
|
||||
ATOM 2797 C CD1 ? TYR Bxp 99 ? 29.075 58.066 55.512 0.00 0 326 B
|
||||
ATOM 2799 C CE1 ? TYR Bxp 99 ? 29.022 58.408 56.848 0.00 0 326 B
|
||||
ATOM 2801 C CZ ? TYR Bxp 99 ? 28.332 57.583 57.750 0.00 0 326 B
|
||||
ATOM 2802 O OH ? TYR Bxp 99 ? 28.273 57.952 59.075 -7.50 0 326 B
|
||||
ATOM 2832 C CA ? CYS Bxp 103 ? 33.088 55.081 57.860 0.00 0 330 B
|
||||
ATOM 2833 C C ? CYS Bxp 103 ? 34.047 54.644 59.003 0.00 0 330 B
|
||||
ATOM 2835 C CB ? CYS Bxp 103 ? 31.652 54.686 58.227 0.00 0 330 B
|
||||
ATOM 2837 N N ? ASN Bxp 104 ? 33.994 55.404 60.098 -1.09 0 331 B
|
||||
ATOM 2841 C CB ? ASN Bxp 104 ? 34.555 56.312 62.312 0.00 0 331 B
|
||||
ATOM 2871 C CD ? GLU Bxp 107 ? 30.339 58.618 63.162 0.00 0 334 B
|
||||
ATOM 2872 O OE1 ? GLU Bxp 107 ? 31.484 58.761 62.681 -0.95 0 334 B
|
||||
ATOM 2873 O OE2 ? GLU Bxp 107 ? 29.348 59.201 62.656 -7.90 0 334 B
|
||||
ATOM 2880 C CG2 ? VAL Bxp 108 ? 29.169 55.016 60.859 0.00 0 335 B
|
||||
ATOM 3170 C C ? GLY Bxp 145 ? 23.940 63.150 57.410 0.00 0 372 B
|
||||
ATOM 3171 O O ? GLY Bxp 145 ? 24.279 62.076 57.870 0.00 0 372 B
|
||||
ATOM 3173 C CA ? GLU Bxp 146 ? 24.527 64.377 59.465 0.00 0 373 B
|
||||
ATOM 3174 C C ? GLU Bxp 146 ? 23.693 63.539 60.431 0.00 0 373 B
|
||||
ATOM 3181 N N ? ASN Bxp 147 ? 24.353 63.017 61.460 -3.03 0 374 B
|
||||
ATOM 3182 C CA ? ASN Bxp 147 ? 23.727 62.121 62.392 0.00 0 374 B
|
||||
ATOM 3183 C C ? ASN Bxp 147 ? 23.179 60.827 61.846 0.00 0 374 B
|
||||
ATOM 3189 N N ? HIS Bxp 148 ? 23.808 60.293 60.791 0.00 0 375 B
|
||||
ATOM 3190 C CA ? HIS Bxp 148 ? 23.386 59.007 60.237 0.00 0 375 B
|
||||
ATOM 3194 C CG ? HIS Bxp 148 ? 24.910 57.903 61.905 0.00 0 375 B
|
||||
ATOM 3195 N ND1 ? HIS Bxp 148 ? 25.150 58.412 63.173 0.00 0 375 B
|
||||
ATOM 3196 C CD2 ? HIS Bxp 148 ? 26.118 57.632 61.362 0.00 0 375 B
|
||||
ATOM 3197 C CE1 ? HIS Bxp 148 ? 26.449 58.390 63.404 0.00 0 375 B
|
||||
ATOM 3198 N NE2 ? HIS Bxp 148 ? 27.061 57.958 62.310 0.00 0 375 B
|
||||
ATOM 2748 C CG ? TYR Bxp 93 ? 28.347 62.433 55.906 0.00 0 320 B
|
||||
ATOM 2749 C CD1 ? TYR Bxp 93 ? 27.464 63.247 56.634 0.00 0 320 B
|
||||
ATOM 2750 C CD2 ? TYR Bxp 93 ? 29.699 62.458 56.235 0.00 0 320 B
|
||||
ATOM 2751 C CE1 ? TYR Bxp 93 ? 27.916 64.065 57.675 0.00 0 320 B
|
||||
ATOM 2752 C CE2 ? TYR Bxp 93 ? 30.166 63.254 57.309 0.00 0 320 B
|
||||
ATOM 2753 C CZ ? TYR Bxp 93 ? 29.259 64.044 58.017 0.00 0 320 B
|
||||
ATOM 2754 O OH ? TYR Bxp 93 ? 29.703 64.823 59.044 0.00 0 320 B
|
||||
ATOM 2797 C CD1 ? TYR Bxp 99 ? 29.075 58.066 55.512 0.00 0 326 B
|
||||
ATOM 2799 C CE1 ? TYR Bxp 99 ? 29.022 58.408 56.848 0.00 0 326 B
|
||||
ATOM 2801 C CZ ? TYR Bxp 99 ? 28.332 57.583 57.750 0.00 0 326 B
|
||||
ATOM 2802 O OH ? TYR Bxp 99 ? 28.273 57.952 59.075 -7.50 0 326 B
|
||||
ATOM 2832 C CA ? CYS Bxp 103 ? 33.088 55.081 57.860 0.00 0 330 B
|
||||
ATOM 2833 C C ? CYS Bxp 103 ? 34.047 54.644 59.003 0.00 0 330 B
|
||||
ATOM 2835 C CB ? CYS Bxp 103 ? 31.652 54.686 58.227 0.00 0 330 B
|
||||
ATOM 2837 N N ? ASN Bxp 104 ? 33.994 55.404 60.098 -1.09 0 331 B
|
||||
ATOM 2841 C CB ? ASN Bxp 104 ? 34.555 56.312 62.312 0.00 0 331 B
|
||||
ATOM 2871 C CD ? GLU Bxp 107 ? 30.339 58.618 63.162 0.00 0 334 B
|
||||
ATOM 2872 O OE1 ? GLU Bxp 107 ? 31.484 58.761 62.681 -0.95 0 334 B
|
||||
ATOM 2873 O OE2 ? GLU Bxp 107 ? 29.348 59.201 62.656 -7.90 0 334 B
|
||||
ATOM 2880 C CG2 ? VAL Bxp 108 ? 29.169 55.016 60.859 0.00 0 335 B
|
||||
ATOM 3170 C C ? GLY Bxp 145 ? 23.940 63.150 57.410 0.00 0 372 B
|
||||
ATOM 3171 O O ? GLY Bxp 145 ? 24.279 62.076 57.870 0.00 0 372 B
|
||||
ATOM 3173 C CA ? GLU Bxp 146 ? 24.527 64.377 59.465 0.00 0 373 B
|
||||
ATOM 3174 C C ? GLU Bxp 146 ? 23.693 63.539 60.431 0.00 0 373 B
|
||||
ATOM 3181 N N ? ASN Bxp 147 ? 24.353 63.017 61.460 -3.03 0 374 B
|
||||
ATOM 3182 C CA ? ASN Bxp 147 ? 23.727 62.121 62.392 0.00 0 374 B
|
||||
ATOM 3183 C C ? ASN Bxp 147 ? 23.179 60.827 61.846 0.00 0 374 B
|
||||
ATOM 3189 N N ? HIS Bxp 148 ? 23.808 60.293 60.791 0.00 0 375 B
|
||||
ATOM 3190 C CA ? HIS Bxp 148 ? 23.386 59.007 60.237 0.00 0 375 B
|
||||
ATOM 3194 C CG ? HIS Bxp 148 ? 24.910 57.903 61.905 0.00 0 375 B
|
||||
ATOM 3195 N ND1 ? HIS Bxp 148 ? 25.150 58.412 63.173 0.00 0 375 B
|
||||
ATOM 3196 C CD2 ? HIS Bxp 148 ? 26.118 57.632 61.362 0.00 0 375 B
|
||||
ATOM 3197 C CE1 ? HIS Bxp 148 ? 26.449 58.390 63.404 0.00 0 375 B
|
||||
ATOM 3198 N NE2 ? HIS Bxp 148 ? 27.061 57.958 62.310 0.00 0 375 B
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 18:
|
||||
6 - Hydrophobicity Score : 53.6000
|
||||
7 - Polarity Score : 4
|
||||
8 - Amino Acid based volume Score : 4.0000
|
||||
9 - Pocket volume (Monte Carlo) : 282.9662
|
||||
9 - Pocket volume (Monte Carlo) : 286.0757
|
||||
10 -Pocket volume (convex hull) : 22.1820
|
||||
11 - Charge Score : 1
|
||||
12 - Local hydrophobic density Score : 17.8947
|
||||
@@ -39,27 +39,27 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 1359 O O ? LEU Axp 184 ? 14.349 39.319 26.613 -1.07 0 411 A
|
||||
ATOM 3348 C CD2 ? HIS Bxp 169 ? 16.267 39.878 30.268 0.00 0 396 B
|
||||
ATOM 1363 C CD2 ? LEU Axp 184 ? 17.375 37.076 23.709 0.00 0 411 A
|
||||
ATOM 3351 N N ? ALA Bxp 170 ? 17.691 42.856 27.354 -6.98 0 397 B
|
||||
ATOM 3340 C CB ? ALA Bxp 168 ? 22.786 43.694 28.595 0.00 0 395 B
|
||||
ATOM 1640 O O ? SER Axp 219 ? 23.891 43.579 25.385 -1.07 0 446 A
|
||||
ATOM 1638 C CA ? SER Axp 219 ? 25.023 41.475 25.807 0.00 0 446 A
|
||||
ATOM 1632 O O ? LEU Axp 218 ? 23.990 39.840 23.886 0.00 0 445 A
|
||||
ATOM 3339 O O ? ALA Bxp 168 ? 21.154 41.582 30.397 0.00 0 395 B
|
||||
ATOM 3338 C C ? ALA Bxp 168 ? 20.955 42.763 30.104 0.00 0 395 B
|
||||
ATOM 1298 C CD1 ? ILE Axp 176 ? 20.379 35.378 24.896 0.00 0 403 A
|
||||
ATOM 1238 O O ? ALA Axp 168 ? 20.773 34.081 30.515 0.00 0 395 A
|
||||
ATOM 1279 C CD1 ? PHE Axp 174 ? 15.732 32.610 26.953 0.00 0 401 A
|
||||
ATOM 1244 C CB ? HIS Axp 169 ? 17.333 33.968 29.971 0.00 0 396 A
|
||||
ATOM 3342 C CA ? HIS Bxp 169 ? 18.586 42.470 29.578 0.00 0 396 B
|
||||
ATOM 1297 C CG2 ? ILE Axp 176 ? 21.592 37.080 22.335 0.00 0 403 A
|
||||
ATOM 1663 C CB ? TYR Axp 222 ? 18.792 43.075 23.036 0.00 0 449 A
|
||||
ATOM 1659 N N ? TYR Axp 222 ? 20.759 42.581 21.578 -1.09 0 449 A
|
||||
ATOM 1362 C CD1 ? LEU Axp 184 ? 17.407 38.949 21.882 0.00 0 411 A
|
||||
ATOM 1247 C CD2 ? HIS Axp 169 ? 15.907 36.141 30.193 0.00 0 396 A
|
||||
ATOM 1357 C CA ? LEU Axp 184 ? 14.567 38.323 24.463 0.00 0 411 A
|
||||
ATOM 1353 O O ? SER Axp 183 ? 12.402 36.556 25.117 0.00 0 410 A
|
||||
ATOM 1360 C CB ? LEU Axp 184 ? 15.704 39.018 23.710 0.00 0 411 A
|
||||
ATOM 1359 O O ? LEU Axp 184 ? 14.349 39.319 26.613 -1.07 0 411 A
|
||||
ATOM 3348 C CD2 ? HIS Bxp 169 ? 16.267 39.878 30.268 0.00 0 396 B
|
||||
ATOM 1363 C CD2 ? LEU Axp 184 ? 17.375 37.076 23.709 0.00 0 411 A
|
||||
ATOM 3351 N N ? ALA Bxp 170 ? 17.691 42.856 27.354 -6.98 0 397 B
|
||||
ATOM 3340 C CB ? ALA Bxp 168 ? 22.786 43.694 28.595 0.00 0 395 B
|
||||
ATOM 1640 O O ? SER Axp 219 ? 23.891 43.579 25.385 -1.07 0 446 A
|
||||
ATOM 1638 C CA ? SER Axp 219 ? 25.023 41.475 25.807 0.00 0 446 A
|
||||
ATOM 1632 O O ? LEU Axp 218 ? 23.990 39.840 23.886 0.00 0 445 A
|
||||
ATOM 3339 O O ? ALA Bxp 168 ? 21.154 41.582 30.397 0.00 0 395 B
|
||||
ATOM 3338 C C ? ALA Bxp 168 ? 20.955 42.763 30.104 0.00 0 395 B
|
||||
ATOM 1298 C CD1 ? ILE Axp 176 ? 20.379 35.378 24.896 0.00 0 403 A
|
||||
ATOM 1238 O O ? ALA Axp 168 ? 20.773 34.081 30.515 0.00 0 395 A
|
||||
ATOM 1279 C CD1 ? PHE Axp 174 ? 15.732 32.610 26.953 0.00 0 401 A
|
||||
ATOM 1244 C CB ? HIS Axp 169 ? 17.333 33.968 29.971 0.00 0 396 A
|
||||
ATOM 3342 C CA ? HIS Bxp 169 ? 18.586 42.470 29.578 0.00 0 396 B
|
||||
ATOM 1297 C CG2 ? ILE Axp 176 ? 21.592 37.080 22.335 0.00 0 403 A
|
||||
ATOM 1663 C CB ? TYR Axp 222 ? 18.792 43.075 23.036 0.00 0 449 A
|
||||
ATOM 1659 N N ? TYR Axp 222 ? 20.759 42.581 21.578 -1.09 0 449 A
|
||||
ATOM 1362 C CD1 ? LEU Axp 184 ? 17.407 38.949 21.882 0.00 0 411 A
|
||||
ATOM 1247 C CD2 ? HIS Axp 169 ? 15.907 36.141 30.193 0.00 0 396 A
|
||||
ATOM 1357 C CA ? LEU Axp 184 ? 14.567 38.323 24.463 0.00 0 411 A
|
||||
ATOM 1353 O O ? SER Axp 183 ? 12.402 36.556 25.117 0.00 0 410 A
|
||||
ATOM 1360 C CB ? LEU Axp 184 ? 15.704 39.018 23.710 0.00 0 411 A
|
||||
#
|
||||
|
||||
@@ -17,59 +17,59 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 1237 C C ? ALA Axp 168 ? 20.392 32.949 30.818 0.00 0 395 A
|
||||
ATOM 1238 O O ? ALA Axp 168 ? 20.773 34.081 30.515 0.00 0 395 A
|
||||
ATOM 1241 C CA ? HIS Axp 169 ? 18.086 33.603 31.255 0.00 0 396 A
|
||||
ATOM 1244 C CB ? HIS Axp 169 ? 17.333 33.968 29.971 0.00 0 396 A
|
||||
ATOM 1245 C CG ? HIS Axp 169 ? 16.104 34.797 30.229 0.00 0 396 A
|
||||
ATOM 1246 N ND1 ? HIS Axp 169 ? 14.891 34.244 30.609 0.00 0 396 A
|
||||
ATOM 1247 C CD2 ? HIS Axp 169 ? 15.907 36.141 30.193 0.00 0 396 A
|
||||
ATOM 1248 C CE1 ? HIS Axp 169 ? 14.000 35.208 30.775 0.00 0 396 A
|
||||
ATOM 1249 N NE2 ? HIS Axp 169 ? 14.590 36.367 30.529 0.00 0 396 A
|
||||
ATOM 1277 C CB ? PHE Axp 174 ? 17.509 31.996 25.288 0.00 0 401 A
|
||||
ATOM 1278 C CG ? PHE Axp 174 ? 16.182 31.763 25.962 0.00 0 401 A
|
||||
ATOM 1279 C CD1 ? PHE Axp 174 ? 15.732 32.610 26.953 0.00 0 401 A
|
||||
ATOM 1281 C CE1 ? PHE Axp 174 ? 14.531 32.366 27.594 0.00 0 401 A
|
||||
ATOM 1295 C CB ? ILE Axp 176 ? 21.717 35.588 22.696 0.00 0 403 A
|
||||
ATOM 1296 C CG1 ? ILE Axp 176 ? 21.726 35.377 24.235 0.00 0 403 A
|
||||
ATOM 1297 C CG2 ? ILE Axp 176 ? 21.592 37.080 22.335 0.00 0 403 A
|
||||
ATOM 1298 C CD1 ? ILE Axp 176 ? 20.379 35.378 24.896 0.00 0 403 A
|
||||
ATOM 1352 C C ? SER Axp 183 ? 12.496 37.011 23.965 0.00 0 410 A
|
||||
ATOM 1353 O O ? SER Axp 183 ? 12.402 36.556 25.117 0.00 0 410 A
|
||||
ATOM 1356 N N ? LEU Axp 184 ? 13.536 37.768 23.548 0.00 0 411 A
|
||||
ATOM 1357 C CA ? LEU Axp 184 ? 14.567 38.323 24.463 0.00 0 411 A
|
||||
ATOM 1358 C C ? LEU Axp 184 ? 13.995 39.330 25.444 0.00 0 411 A
|
||||
ATOM 1359 O O ? LEU Axp 184 ? 14.349 39.319 26.613 -1.07 0 411 A
|
||||
ATOM 1360 C CB ? LEU Axp 184 ? 15.704 39.018 23.710 0.00 0 411 A
|
||||
ATOM 1361 C CG ? LEU Axp 184 ? 16.583 38.094 22.866 0.00 0 411 A
|
||||
ATOM 1362 C CD1 ? LEU Axp 184 ? 17.407 38.949 21.882 0.00 0 411 A
|
||||
ATOM 1363 C CD2 ? LEU Axp 184 ? 17.375 37.076 23.709 0.00 0 411 A
|
||||
ATOM 1387 O OD1 ? ASN Axp 187 ? 11.727 35.895 28.835 -1.07 0 414 A
|
||||
ATOM 1631 C C ? LEU Axp 218 ? 25.155 39.717 24.180 0.00 0 445 A
|
||||
ATOM 1632 O O ? LEU Axp 218 ? 23.990 39.840 23.886 0.00 0 445 A
|
||||
ATOM 1637 N N ? SER Axp 219 ? 25.769 40.519 25.023 0.00 0 446 A
|
||||
ATOM 1638 C CA ? SER Axp 219 ? 25.023 41.475 25.807 0.00 0 446 A
|
||||
ATOM 1639 C C ? SER Axp 219 ? 24.704 42.744 24.987 0.00 0 446 A
|
||||
ATOM 1640 O O ? SER Axp 219 ? 23.891 43.579 25.385 -1.07 0 446 A
|
||||
ATOM 1641 C CB ? SER Axp 219 ? 25.796 41.724 27.105 0.00 0 446 A
|
||||
ATOM 1656 C CB ? VAL Axp 221 ? 22.834 40.427 20.388 0.00 0 448 A
|
||||
ATOM 1659 N N ? TYR Axp 222 ? 20.759 42.581 21.578 -1.09 0 449 A
|
||||
ATOM 1660 C CA ? TYR Axp 222 ? 19.471 43.262 21.673 0.00 0 449 A
|
||||
ATOM 1663 C CB ? TYR Axp 222 ? 18.792 43.075 23.036 0.00 0 449 A
|
||||
ATOM 1664 C CG ? TYR Axp 222 ? 17.328 43.572 23.026 0.00 0 449 A
|
||||
ATOM 1665 C CD1 ? TYR Axp 222 ? 16.254 42.671 22.864 0.00 0 449 A
|
||||
ATOM 3337 C CA ? ALA Bxp 168 ? 22.105 43.779 29.982 0.00 0 395 B
|
||||
ATOM 3338 C C ? ALA Bxp 168 ? 20.955 42.763 30.104 0.00 0 395 B
|
||||
ATOM 3339 O O ? ALA Bxp 168 ? 21.154 41.582 30.397 0.00 0 395 B
|
||||
ATOM 3340 C CB ? ALA Bxp 168 ? 22.786 43.694 28.595 0.00 0 395 B
|
||||
ATOM 3341 N N ? HIS Bxp 169 ? 19.743 43.280 29.949 0.00 0 396 B
|
||||
ATOM 3342 C CA ? HIS Bxp 169 ? 18.586 42.470 29.578 0.00 0 396 B
|
||||
ATOM 3343 C C ? HIS Bxp 169 ? 17.666 43.282 28.628 0.00 0 396 B
|
||||
ATOM 3345 C CB ? HIS Bxp 169 ? 17.804 41.919 30.765 0.00 0 396 B
|
||||
ATOM 3346 C CG ? HIS Bxp 169 ? 16.549 41.202 30.364 0.00 0 396 B
|
||||
ATOM 3348 C CD2 ? HIS Bxp 169 ? 16.267 39.878 30.268 0.00 0 396 B
|
||||
ATOM 3350 N NE2 ? HIS Bxp 169 ? 14.959 39.769 29.859 0.00 0 396 B
|
||||
ATOM 3351 N N ? ALA Bxp 170 ? 17.691 42.856 27.354 -6.98 0 397 B
|
||||
ATOM 3352 C CA ? ALA Bxp 170 ? 16.780 43.344 26.347 0.00 0 397 B
|
||||
ATOM 3355 C CB ? ALA Bxp 170 ? 15.447 42.648 26.503 0.00 0 397 B
|
||||
ATOM 1237 C C ? ALA Axp 168 ? 20.392 32.949 30.818 0.00 0 395 A
|
||||
ATOM 1238 O O ? ALA Axp 168 ? 20.773 34.081 30.515 0.00 0 395 A
|
||||
ATOM 1241 C CA ? HIS Axp 169 ? 18.086 33.603 31.255 0.00 0 396 A
|
||||
ATOM 1244 C CB ? HIS Axp 169 ? 17.333 33.968 29.971 0.00 0 396 A
|
||||
ATOM 1245 C CG ? HIS Axp 169 ? 16.104 34.797 30.229 0.00 0 396 A
|
||||
ATOM 1246 N ND1 ? HIS Axp 169 ? 14.891 34.244 30.609 0.00 0 396 A
|
||||
ATOM 1247 C CD2 ? HIS Axp 169 ? 15.907 36.141 30.193 0.00 0 396 A
|
||||
ATOM 1248 C CE1 ? HIS Axp 169 ? 14.000 35.208 30.775 0.00 0 396 A
|
||||
ATOM 1249 N NE2 ? HIS Axp 169 ? 14.590 36.367 30.529 0.00 0 396 A
|
||||
ATOM 1277 C CB ? PHE Axp 174 ? 17.509 31.996 25.288 0.00 0 401 A
|
||||
ATOM 1278 C CG ? PHE Axp 174 ? 16.182 31.763 25.962 0.00 0 401 A
|
||||
ATOM 1279 C CD1 ? PHE Axp 174 ? 15.732 32.610 26.953 0.00 0 401 A
|
||||
ATOM 1281 C CE1 ? PHE Axp 174 ? 14.531 32.366 27.594 0.00 0 401 A
|
||||
ATOM 1295 C CB ? ILE Axp 176 ? 21.717 35.588 22.696 0.00 0 403 A
|
||||
ATOM 1296 C CG1 ? ILE Axp 176 ? 21.726 35.377 24.235 0.00 0 403 A
|
||||
ATOM 1297 C CG2 ? ILE Axp 176 ? 21.592 37.080 22.335 0.00 0 403 A
|
||||
ATOM 1298 C CD1 ? ILE Axp 176 ? 20.379 35.378 24.896 0.00 0 403 A
|
||||
ATOM 1352 C C ? SER Axp 183 ? 12.496 37.011 23.965 0.00 0 410 A
|
||||
ATOM 1353 O O ? SER Axp 183 ? 12.402 36.556 25.117 0.00 0 410 A
|
||||
ATOM 1356 N N ? LEU Axp 184 ? 13.536 37.768 23.548 0.00 0 411 A
|
||||
ATOM 1357 C CA ? LEU Axp 184 ? 14.567 38.323 24.463 0.00 0 411 A
|
||||
ATOM 1358 C C ? LEU Axp 184 ? 13.995 39.330 25.444 0.00 0 411 A
|
||||
ATOM 1359 O O ? LEU Axp 184 ? 14.349 39.319 26.613 -1.07 0 411 A
|
||||
ATOM 1360 C CB ? LEU Axp 184 ? 15.704 39.018 23.710 0.00 0 411 A
|
||||
ATOM 1361 C CG ? LEU Axp 184 ? 16.583 38.094 22.866 0.00 0 411 A
|
||||
ATOM 1362 C CD1 ? LEU Axp 184 ? 17.407 38.949 21.882 0.00 0 411 A
|
||||
ATOM 1363 C CD2 ? LEU Axp 184 ? 17.375 37.076 23.709 0.00 0 411 A
|
||||
ATOM 1387 O OD1 ? ASN Axp 187 ? 11.727 35.895 28.835 -1.07 0 414 A
|
||||
ATOM 1631 C C ? LEU Axp 218 ? 25.155 39.717 24.180 0.00 0 445 A
|
||||
ATOM 1632 O O ? LEU Axp 218 ? 23.990 39.840 23.886 0.00 0 445 A
|
||||
ATOM 1637 N N ? SER Axp 219 ? 25.769 40.519 25.023 0.00 0 446 A
|
||||
ATOM 1638 C CA ? SER Axp 219 ? 25.023 41.475 25.807 0.00 0 446 A
|
||||
ATOM 1639 C C ? SER Axp 219 ? 24.704 42.744 24.987 0.00 0 446 A
|
||||
ATOM 1640 O O ? SER Axp 219 ? 23.891 43.579 25.385 -1.07 0 446 A
|
||||
ATOM 1641 C CB ? SER Axp 219 ? 25.796 41.724 27.105 0.00 0 446 A
|
||||
ATOM 1656 C CB ? VAL Axp 221 ? 22.834 40.427 20.388 0.00 0 448 A
|
||||
ATOM 1659 N N ? TYR Axp 222 ? 20.759 42.581 21.578 -1.09 0 449 A
|
||||
ATOM 1660 C CA ? TYR Axp 222 ? 19.471 43.262 21.673 0.00 0 449 A
|
||||
ATOM 1663 C CB ? TYR Axp 222 ? 18.792 43.075 23.036 0.00 0 449 A
|
||||
ATOM 1664 C CG ? TYR Axp 222 ? 17.328 43.572 23.026 0.00 0 449 A
|
||||
ATOM 1665 C CD1 ? TYR Axp 222 ? 16.254 42.671 22.864 0.00 0 449 A
|
||||
ATOM 3337 C CA ? ALA Bxp 168 ? 22.105 43.779 29.982 0.00 0 395 B
|
||||
ATOM 3338 C C ? ALA Bxp 168 ? 20.955 42.763 30.104 0.00 0 395 B
|
||||
ATOM 3339 O O ? ALA Bxp 168 ? 21.154 41.582 30.397 0.00 0 395 B
|
||||
ATOM 3340 C CB ? ALA Bxp 168 ? 22.786 43.694 28.595 0.00 0 395 B
|
||||
ATOM 3341 N N ? HIS Bxp 169 ? 19.743 43.280 29.949 0.00 0 396 B
|
||||
ATOM 3342 C CA ? HIS Bxp 169 ? 18.586 42.470 29.578 0.00 0 396 B
|
||||
ATOM 3343 C C ? HIS Bxp 169 ? 17.666 43.282 28.628 0.00 0 396 B
|
||||
ATOM 3345 C CB ? HIS Bxp 169 ? 17.804 41.919 30.765 0.00 0 396 B
|
||||
ATOM 3346 C CG ? HIS Bxp 169 ? 16.549 41.202 30.364 0.00 0 396 B
|
||||
ATOM 3348 C CD2 ? HIS Bxp 169 ? 16.267 39.878 30.268 0.00 0 396 B
|
||||
ATOM 3350 N NE2 ? HIS Bxp 169 ? 14.959 39.769 29.859 0.00 0 396 B
|
||||
ATOM 3351 N N ? ALA Bxp 170 ? 17.691 42.856 27.354 -6.98 0 397 B
|
||||
ATOM 3352 C CA ? ALA Bxp 170 ? 16.780 43.344 26.347 0.00 0 397 B
|
||||
ATOM 3355 C CB ? ALA Bxp 170 ? 15.447 42.648 26.503 0.00 0 397 B
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 19:
|
||||
6 - Hydrophobicity Score : 62.1111
|
||||
7 - Polarity Score : 3
|
||||
8 - Amino Acid based volume Score : 4.3333
|
||||
9 - Pocket volume (Monte Carlo) : 420.3820
|
||||
9 - Pocket volume (Monte Carlo) : 433.0316
|
||||
10 -Pocket volume (convex hull) : 67.6357
|
||||
11 - Charge Score : 1
|
||||
12 - Local hydrophobic density Score : 28.1176
|
||||
@@ -39,36 +39,36 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 7944 C CZ ? TYR Dxp 222 ? 28.663 18.750 51.374 0.00 0 449 D
|
||||
ATOM 7943 C CE2 ? TYR Dxp 222 ? 27.884 19.861 51.731 0.00 0 449 D
|
||||
ATOM 7945 O OH ? TYR Dxp 222 ? 28.142 17.449 51.358 -4.29 0 449 D
|
||||
ATOM 7647 C CB ? ALA Dxp 185 ? 30.355 15.757 53.617 0.00 0 412 D
|
||||
ATOM 7644 C CA ? ALA Dxp 185 ? 31.641 16.003 54.405 0.00 0 412 D
|
||||
ATOM 7942 C CE1 ? TYR Dxp 222 ? 29.998 18.906 51.064 0.00 0 449 D
|
||||
ATOM 7940 C CD1 ? TYR Dxp 222 ? 30.563 20.141 51.099 0.00 0 449 D
|
||||
ATOM 7941 C CD2 ? TYR Dxp 222 ? 28.465 21.119 51.770 0.00 0 449 D
|
||||
ATOM 7577 C CD1 ? ILE Dxp 176 ? 37.672 25.382 53.690 0.00 0 403 D
|
||||
ATOM 7576 C CG2 ? ILE Dxp 176 ? 36.592 24.562 50.949 0.00 0 403 D
|
||||
ATOM 7575 C CG1 ? ILE Dxp 176 ? 38.212 24.231 52.898 0.00 0 403 D
|
||||
ATOM 7642 C CD2 ? LEU Dxp 184 ? 36.369 20.233 52.078 0.00 0 411 D
|
||||
ATOM 7641 C CD1 ? LEU Dxp 184 ? 34.448 20.808 50.650 0.00 0 411 D
|
||||
ATOM 7938 C CB ? TYR Dxp 222 ? 30.486 22.638 51.402 0.00 0 449 D
|
||||
ATOM 7934 N N ? TYR Dxp 222 ? 31.202 24.455 49.938 -1.09 0 449 D
|
||||
ATOM 7907 O O ? LEU Dxp 218 ? 34.008 27.525 52.271 -0.40 0 445 D
|
||||
ATOM 7639 C CB ? LEU Dxp 184 ? 34.244 18.838 52.215 0.00 0 411 D
|
||||
ATOM 7939 C CG ? TYR Dxp 222 ? 29.832 21.273 51.448 0.00 0 449 D
|
||||
ATOM 7560 C CE1 ? PHE Dxp 174 ? 39.595 17.433 56.140 0.00 0 401 D
|
||||
ATOM 7638 O O ? LEU Dxp 184 ? 33.870 17.251 55.188 0.00 0 411 D
|
||||
ATOM 7525 N ND1 ? HIS Dxp 169 ? 36.365 20.155 60.429 -1.93 0 396 D
|
||||
ATOM 7558 C CD1 ? PHE Dxp 174 ? 39.696 18.611 55.390 0.00 0 401 D
|
||||
ATOM 7524 C CG ? HIS Dxp 169 ? 36.743 21.442 60.097 0.00 0 396 D
|
||||
ATOM 7527 C CE1 ? HIS Dxp 169 ? 35.170 20.180 60.996 0.00 0 396 D
|
||||
ATOM 7528 N NE2 ? HIS Dxp 169 ? 34.778 21.438 61.089 0.00 0 396 D
|
||||
ATOM 7526 C CD2 ? HIS Dxp 169 ? 35.750 22.249 60.547 0.00 0 396 D
|
||||
ATOM 7637 C C ? LEU Dxp 184 ? 33.727 17.072 53.991 0.00 0 411 D
|
||||
ATOM 7523 C CB ? HIS Dxp 169 ? 38.074 21.770 59.468 0.00 0 396 D
|
||||
ATOM 7556 C CB ? PHE Dxp 174 ? 40.965 20.182 53.857 0.00 0 401 D
|
||||
ATOM 7513 C CG2 ? THR Dxp 167 ? 39.795 26.405 56.782 0.00 0 394 D
|
||||
ATOM 7510 O O ? THR Dxp 167 ? 41.927 23.289 56.784 0.00 0 394 D
|
||||
ATOM 7517 O O ? ALA Dxp 168 ? 40.187 24.764 60.121 -3.35 0 395 D
|
||||
ATOM 7944 C CZ ? TYR Dxp 222 ? 28.663 18.750 51.374 0.00 0 449 D
|
||||
ATOM 7943 C CE2 ? TYR Dxp 222 ? 27.884 19.861 51.731 0.00 0 449 D
|
||||
ATOM 7945 O OH ? TYR Dxp 222 ? 28.142 17.449 51.358 -4.29 0 449 D
|
||||
ATOM 7647 C CB ? ALA Dxp 185 ? 30.355 15.757 53.617 0.00 0 412 D
|
||||
ATOM 7644 C CA ? ALA Dxp 185 ? 31.641 16.003 54.405 0.00 0 412 D
|
||||
ATOM 7942 C CE1 ? TYR Dxp 222 ? 29.998 18.906 51.064 0.00 0 449 D
|
||||
ATOM 7940 C CD1 ? TYR Dxp 222 ? 30.563 20.141 51.099 0.00 0 449 D
|
||||
ATOM 7941 C CD2 ? TYR Dxp 222 ? 28.465 21.119 51.770 0.00 0 449 D
|
||||
ATOM 7577 C CD1 ? ILE Dxp 176 ? 37.672 25.382 53.690 0.00 0 403 D
|
||||
ATOM 7576 C CG2 ? ILE Dxp 176 ? 36.592 24.562 50.949 0.00 0 403 D
|
||||
ATOM 7575 C CG1 ? ILE Dxp 176 ? 38.212 24.231 52.898 0.00 0 403 D
|
||||
ATOM 7642 C CD2 ? LEU Dxp 184 ? 36.369 20.233 52.078 0.00 0 411 D
|
||||
ATOM 7641 C CD1 ? LEU Dxp 184 ? 34.448 20.808 50.650 0.00 0 411 D
|
||||
ATOM 7938 C CB ? TYR Dxp 222 ? 30.486 22.638 51.402 0.00 0 449 D
|
||||
ATOM 7934 N N ? TYR Dxp 222 ? 31.202 24.455 49.938 -1.09 0 449 D
|
||||
ATOM 7907 O O ? LEU Dxp 218 ? 34.008 27.525 52.271 -0.40 0 445 D
|
||||
ATOM 7639 C CB ? LEU Dxp 184 ? 34.244 18.838 52.215 0.00 0 411 D
|
||||
ATOM 7939 C CG ? TYR Dxp 222 ? 29.832 21.273 51.448 0.00 0 449 D
|
||||
ATOM 7560 C CE1 ? PHE Dxp 174 ? 39.595 17.433 56.140 0.00 0 401 D
|
||||
ATOM 7638 O O ? LEU Dxp 184 ? 33.870 17.251 55.188 0.00 0 411 D
|
||||
ATOM 7525 N ND1 ? HIS Dxp 169 ? 36.365 20.155 60.429 -1.93 0 396 D
|
||||
ATOM 7558 C CD1 ? PHE Dxp 174 ? 39.696 18.611 55.390 0.00 0 401 D
|
||||
ATOM 7524 C CG ? HIS Dxp 169 ? 36.743 21.442 60.097 0.00 0 396 D
|
||||
ATOM 7527 C CE1 ? HIS Dxp 169 ? 35.170 20.180 60.996 0.00 0 396 D
|
||||
ATOM 7528 N NE2 ? HIS Dxp 169 ? 34.778 21.438 61.089 0.00 0 396 D
|
||||
ATOM 7526 C CD2 ? HIS Dxp 169 ? 35.750 22.249 60.547 0.00 0 396 D
|
||||
ATOM 7637 C C ? LEU Dxp 184 ? 33.727 17.072 53.991 0.00 0 411 D
|
||||
ATOM 7523 C CB ? HIS Dxp 169 ? 38.074 21.770 59.468 0.00 0 396 D
|
||||
ATOM 7556 C CB ? PHE Dxp 174 ? 40.965 20.182 53.857 0.00 0 401 D
|
||||
ATOM 7513 C CG2 ? THR Dxp 167 ? 39.795 26.405 56.782 0.00 0 394 D
|
||||
ATOM 7510 O O ? THR Dxp 167 ? 41.927 23.289 56.784 0.00 0 394 D
|
||||
ATOM 7517 O O ? ALA Dxp 168 ? 40.187 24.764 60.121 -3.35 0 395 D
|
||||
#
|
||||
|
||||
@@ -17,53 +17,53 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 7508 C CA ? THR Dxp 167 ? 42.083 25.551 56.067 0.00 0 394 D
|
||||
ATOM 7509 C C ? THR Dxp 167 ? 42.091 24.462 57.107 0.00 0 394 D
|
||||
ATOM 7510 O O ? THR Dxp 167 ? 41.927 23.289 56.784 0.00 0 394 D
|
||||
ATOM 7511 C CB ? THR Dxp 167 ? 40.671 25.960 55.612 0.00 0 394 D
|
||||
ATOM 7513 C CG2 ? THR Dxp 167 ? 39.795 26.405 56.782 0.00 0 394 D
|
||||
ATOM 7516 C C ? ALA Dxp 168 ? 40.899 23.759 59.909 0.00 0 395 D
|
||||
ATOM 7517 O O ? ALA Dxp 168 ? 40.187 24.764 60.121 -3.35 0 395 D
|
||||
ATOM 7519 N N ? HIS Dxp 169 ? 40.449 22.501 59.939 0.00 0 396 D
|
||||
ATOM 7520 C CA ? HIS Dxp 169 ? 39.141 22.139 60.511 0.00 0 396 D
|
||||
ATOM 7523 C CB ? HIS Dxp 169 ? 38.074 21.770 59.468 0.00 0 396 D
|
||||
ATOM 7524 C CG ? HIS Dxp 169 ? 36.743 21.442 60.097 0.00 0 396 D
|
||||
ATOM 7525 N ND1 ? HIS Dxp 169 ? 36.365 20.155 60.429 -1.93 0 396 D
|
||||
ATOM 7526 C CD2 ? HIS Dxp 169 ? 35.750 22.249 60.547 0.00 0 396 D
|
||||
ATOM 7527 C CE1 ? HIS Dxp 169 ? 35.170 20.180 60.996 0.00 0 396 D
|
||||
ATOM 7528 N NE2 ? HIS Dxp 169 ? 34.778 21.438 61.089 0.00 0 396 D
|
||||
ATOM 7552 N N ? PHE Dxp 174 ? 42.799 21.115 55.259 0.00 0 401 D
|
||||
ATOM 7553 C CA ? PHE Dxp 174 ? 42.370 20.808 53.897 0.00 0 401 D
|
||||
ATOM 7555 O O ? PHE Dxp 174 ? 42.090 23.093 53.386 0.00 0 401 D
|
||||
ATOM 7556 C CB ? PHE Dxp 174 ? 40.965 20.182 53.857 0.00 0 401 D
|
||||
ATOM 7557 C CG ? PHE Dxp 174 ? 40.847 18.885 54.646 0.00 0 401 D
|
||||
ATOM 7558 C CD1 ? PHE Dxp 174 ? 39.696 18.611 55.390 0.00 0 401 D
|
||||
ATOM 7560 C CE1 ? PHE Dxp 174 ? 39.595 17.433 56.140 0.00 0 401 D
|
||||
ATOM 7574 C CB ? ILE Dxp 176 ? 38.063 24.490 51.381 0.00 0 403 D
|
||||
ATOM 7575 C CG1 ? ILE Dxp 176 ? 38.212 24.231 52.898 0.00 0 403 D
|
||||
ATOM 7576 C CG2 ? ILE Dxp 176 ? 36.592 24.562 50.949 0.00 0 403 D
|
||||
ATOM 7577 C CD1 ? ILE Dxp 176 ? 37.672 25.382 53.690 0.00 0 403 D
|
||||
ATOM 7636 C CA ? LEU Dxp 184 ? 34.755 17.589 52.955 0.00 0 411 D
|
||||
ATOM 7637 C C ? LEU Dxp 184 ? 33.727 17.072 53.991 0.00 0 411 D
|
||||
ATOM 7638 O O ? LEU Dxp 184 ? 33.870 17.251 55.188 0.00 0 411 D
|
||||
ATOM 7639 C CB ? LEU Dxp 184 ? 34.244 18.838 52.215 0.00 0 411 D
|
||||
ATOM 7640 C CG ? LEU Dxp 184 ? 35.197 19.678 51.329 0.00 0 411 D
|
||||
ATOM 7641 C CD1 ? LEU Dxp 184 ? 34.448 20.808 50.650 0.00 0 411 D
|
||||
ATOM 7642 C CD2 ? LEU Dxp 184 ? 36.369 20.233 52.078 0.00 0 411 D
|
||||
ATOM 7643 N N ? ALA Dxp 185 ? 32.696 16.403 53.523 0.00 0 412 D
|
||||
ATOM 7644 C CA ? ALA Dxp 185 ? 31.641 16.003 54.405 0.00 0 412 D
|
||||
ATOM 7647 C CB ? ALA Dxp 185 ? 30.355 15.757 53.617 0.00 0 412 D
|
||||
ATOM 7907 O O ? LEU Dxp 218 ? 34.008 27.525 52.271 -0.40 0 445 D
|
||||
ATOM 7929 C C ? VAL Dxp 221 ? 31.195 25.263 48.894 0.00 0 448 D
|
||||
ATOM 7931 C CB ? VAL Dxp 221 ? 33.581 26.362 48.902 0.00 0 448 D
|
||||
ATOM 7934 N N ? TYR Dxp 222 ? 31.202 24.455 49.938 -1.09 0 449 D
|
||||
ATOM 7935 C CA ? TYR Dxp 222 ? 30.407 23.254 49.990 0.00 0 449 D
|
||||
ATOM 7938 C CB ? TYR Dxp 222 ? 30.486 22.638 51.402 0.00 0 449 D
|
||||
ATOM 7939 C CG ? TYR Dxp 222 ? 29.832 21.273 51.448 0.00 0 449 D
|
||||
ATOM 7940 C CD1 ? TYR Dxp 222 ? 30.563 20.141 51.099 0.00 0 449 D
|
||||
ATOM 7941 C CD2 ? TYR Dxp 222 ? 28.465 21.119 51.770 0.00 0 449 D
|
||||
ATOM 7942 C CE1 ? TYR Dxp 222 ? 29.998 18.906 51.064 0.00 0 449 D
|
||||
ATOM 7943 C CE2 ? TYR Dxp 222 ? 27.884 19.861 51.731 0.00 0 449 D
|
||||
ATOM 7944 C CZ ? TYR Dxp 222 ? 28.663 18.750 51.374 0.00 0 449 D
|
||||
ATOM 7945 O OH ? TYR Dxp 222 ? 28.142 17.449 51.358 -4.29 0 449 D
|
||||
ATOM 7508 C CA ? THR Dxp 167 ? 42.083 25.551 56.067 0.00 0 394 D
|
||||
ATOM 7509 C C ? THR Dxp 167 ? 42.091 24.462 57.107 0.00 0 394 D
|
||||
ATOM 7510 O O ? THR Dxp 167 ? 41.927 23.289 56.784 0.00 0 394 D
|
||||
ATOM 7511 C CB ? THR Dxp 167 ? 40.671 25.960 55.612 0.00 0 394 D
|
||||
ATOM 7513 C CG2 ? THR Dxp 167 ? 39.795 26.405 56.782 0.00 0 394 D
|
||||
ATOM 7516 C C ? ALA Dxp 168 ? 40.899 23.759 59.909 0.00 0 395 D
|
||||
ATOM 7517 O O ? ALA Dxp 168 ? 40.187 24.764 60.121 -3.35 0 395 D
|
||||
ATOM 7519 N N ? HIS Dxp 169 ? 40.449 22.501 59.939 0.00 0 396 D
|
||||
ATOM 7520 C CA ? HIS Dxp 169 ? 39.141 22.139 60.511 0.00 0 396 D
|
||||
ATOM 7523 C CB ? HIS Dxp 169 ? 38.074 21.770 59.468 0.00 0 396 D
|
||||
ATOM 7524 C CG ? HIS Dxp 169 ? 36.743 21.442 60.097 0.00 0 396 D
|
||||
ATOM 7525 N ND1 ? HIS Dxp 169 ? 36.365 20.155 60.429 -1.93 0 396 D
|
||||
ATOM 7526 C CD2 ? HIS Dxp 169 ? 35.750 22.249 60.547 0.00 0 396 D
|
||||
ATOM 7527 C CE1 ? HIS Dxp 169 ? 35.170 20.180 60.996 0.00 0 396 D
|
||||
ATOM 7528 N NE2 ? HIS Dxp 169 ? 34.778 21.438 61.089 0.00 0 396 D
|
||||
ATOM 7552 N N ? PHE Dxp 174 ? 42.799 21.115 55.259 0.00 0 401 D
|
||||
ATOM 7553 C CA ? PHE Dxp 174 ? 42.370 20.808 53.897 0.00 0 401 D
|
||||
ATOM 7555 O O ? PHE Dxp 174 ? 42.090 23.093 53.386 0.00 0 401 D
|
||||
ATOM 7556 C CB ? PHE Dxp 174 ? 40.965 20.182 53.857 0.00 0 401 D
|
||||
ATOM 7557 C CG ? PHE Dxp 174 ? 40.847 18.885 54.646 0.00 0 401 D
|
||||
ATOM 7558 C CD1 ? PHE Dxp 174 ? 39.696 18.611 55.390 0.00 0 401 D
|
||||
ATOM 7560 C CE1 ? PHE Dxp 174 ? 39.595 17.433 56.140 0.00 0 401 D
|
||||
ATOM 7574 C CB ? ILE Dxp 176 ? 38.063 24.490 51.381 0.00 0 403 D
|
||||
ATOM 7575 C CG1 ? ILE Dxp 176 ? 38.212 24.231 52.898 0.00 0 403 D
|
||||
ATOM 7576 C CG2 ? ILE Dxp 176 ? 36.592 24.562 50.949 0.00 0 403 D
|
||||
ATOM 7577 C CD1 ? ILE Dxp 176 ? 37.672 25.382 53.690 0.00 0 403 D
|
||||
ATOM 7636 C CA ? LEU Dxp 184 ? 34.755 17.589 52.955 0.00 0 411 D
|
||||
ATOM 7637 C C ? LEU Dxp 184 ? 33.727 17.072 53.991 0.00 0 411 D
|
||||
ATOM 7638 O O ? LEU Dxp 184 ? 33.870 17.251 55.188 0.00 0 411 D
|
||||
ATOM 7639 C CB ? LEU Dxp 184 ? 34.244 18.838 52.215 0.00 0 411 D
|
||||
ATOM 7640 C CG ? LEU Dxp 184 ? 35.197 19.678 51.329 0.00 0 411 D
|
||||
ATOM 7641 C CD1 ? LEU Dxp 184 ? 34.448 20.808 50.650 0.00 0 411 D
|
||||
ATOM 7642 C CD2 ? LEU Dxp 184 ? 36.369 20.233 52.078 0.00 0 411 D
|
||||
ATOM 7643 N N ? ALA Dxp 185 ? 32.696 16.403 53.523 0.00 0 412 D
|
||||
ATOM 7644 C CA ? ALA Dxp 185 ? 31.641 16.003 54.405 0.00 0 412 D
|
||||
ATOM 7647 C CB ? ALA Dxp 185 ? 30.355 15.757 53.617 0.00 0 412 D
|
||||
ATOM 7907 O O ? LEU Dxp 218 ? 34.008 27.525 52.271 -0.40 0 445 D
|
||||
ATOM 7929 C C ? VAL Dxp 221 ? 31.195 25.263 48.894 0.00 0 448 D
|
||||
ATOM 7931 C CB ? VAL Dxp 221 ? 33.581 26.362 48.902 0.00 0 448 D
|
||||
ATOM 7934 N N ? TYR Dxp 222 ? 31.202 24.455 49.938 -1.09 0 449 D
|
||||
ATOM 7935 C CA ? TYR Dxp 222 ? 30.407 23.254 49.990 0.00 0 449 D
|
||||
ATOM 7938 C CB ? TYR Dxp 222 ? 30.486 22.638 51.402 0.00 0 449 D
|
||||
ATOM 7939 C CG ? TYR Dxp 222 ? 29.832 21.273 51.448 0.00 0 449 D
|
||||
ATOM 7940 C CD1 ? TYR Dxp 222 ? 30.563 20.141 51.099 0.00 0 449 D
|
||||
ATOM 7941 C CD2 ? TYR Dxp 222 ? 28.465 21.119 51.770 0.00 0 449 D
|
||||
ATOM 7942 C CE1 ? TYR Dxp 222 ? 29.998 18.906 51.064 0.00 0 449 D
|
||||
ATOM 7943 C CE2 ? TYR Dxp 222 ? 27.884 19.861 51.731 0.00 0 449 D
|
||||
ATOM 7944 C CZ ? TYR Dxp 222 ? 28.663 18.750 51.374 0.00 0 449 D
|
||||
ATOM 7945 O OH ? TYR Dxp 222 ? 28.142 17.449 51.358 -4.29 0 449 D
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 1:
|
||||
6 - Hydrophobicity Score : 39.5476
|
||||
7 - Polarity Score : 18
|
||||
8 - Amino Acid based volume Score : 4.2857
|
||||
9 - Pocket volume (Monte Carlo) : 1714.9120
|
||||
9 - Pocket volume (Monte Carlo) : 1760.2584
|
||||
10 -Pocket volume (convex hull) : 1610.3746
|
||||
11 - Charge Score : -4
|
||||
12 - Local hydrophobic density Score : 53.0308
|
||||
@@ -39,120 +39,120 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 5124 C CD1 ? LEU Cxp 127 ? 52.412 62.880 19.111 0.00 0 354 C
|
||||
ATOM 5175 O O ? ILE Cxp 133 ? 50.155 63.679 13.849 -1.07 0 360 C
|
||||
ATOM 4642 C CD1 ? ILE Cxp 66 ? 57.564 64.926 16.918 0.00 0 293 C
|
||||
ATOM 5181 C CA ? HIS Cxp 134 ? 49.968 61.358 15.298 0.00 0 361 C
|
||||
ATOM 5168 C CD2 ? PHE Cxp 132 ? 53.775 68.288 14.726 0.00 0 359 C
|
||||
ATOM 5165 C CB ? PHE Cxp 132 ? 52.152 67.148 16.265 0.00 0 359 C
|
||||
ATOM 4607 C CG1 ? VAL Cxp 62 ? 56.843 66.361 13.193 0.00 0 289 C
|
||||
ATOM 5349 C CD2 ? PHE Cxp 155 ? 58.617 52.809 14.766 0.00 0 382 C
|
||||
ATOM 4806 C CG2 ? THR Cxp 88 ? 64.918 58.267 15.934 0.00 0 315 C
|
||||
ATOM 5351 C CE2 ? PHE Cxp 155 ? 58.958 52.743 16.096 0.00 0 382 C
|
||||
ATOM 4805 O OG1 ? THR Cxp 88 ? 65.292 56.165 17.041 0.00 0 315 C
|
||||
ATOM 5166 C CG ? PHE Cxp 132 ? 53.337 68.020 16.020 0.00 0 359 C
|
||||
ATOM 5187 C CD2 ? HIS Cxp 134 ? 52.038 58.986 17.107 0.00 0 361 C
|
||||
ATOM 5125 C CD2 ? LEU Cxp 127 ? 53.933 64.923 19.034 0.00 0 354 C
|
||||
ATOM 4367 C CG1 ? VAL Cxp 29 ? 65.278 51.087 12.687 0.00 0 256 C
|
||||
ATOM 4342 C CG ? TYR Cxp 26 ? 60.508 48.226 13.248 0.00 0 253 C
|
||||
ATOM 4680 C CD2 ? LEU Cxp 71 ? 55.947 61.004 20.573 0.00 0 298 C
|
||||
ATOM 5338 C CB ? ASP Cxp 154 ? 55.209 57.618 13.892 0.00 0 381 C
|
||||
ATOM 4684 O O ? VAL Cxp 72 ? 61.863 60.416 19.355 -5.36 0 299 C
|
||||
ATOM 4640 C CG1 ? ILE Cxp 66 ? 58.912 65.273 17.720 0.00 0 293 C
|
||||
ATOM 4677 C CB ? LEU Cxp 71 ? 58.112 61.528 21.791 0.00 0 298 C
|
||||
ATOM 5341 O OD2 ? ASP Cxp 154 ? 53.714 58.561 12.241 -0.14 0 381 C
|
||||
ATOM 5183 O O ? HIS Cxp 134 ? 50.262 60.307 13.190 0.00 0 361 C
|
||||
ATOM 4608 C CG2 ? VAL Cxp 62 ? 57.086 66.805 10.673 0.00 0 289 C
|
||||
ATOM 4606 C CB ? VAL Cxp 62 ? 57.804 66.325 11.964 0.00 0 289 C
|
||||
ATOM 4849 C CD2 ? TYR Cxp 93 ? 62.771 44.062 27.626 0.00 0 320 C
|
||||
ATOM 4898 C CE1 ? TYR Cxp 99 ? 58.734 44.320 28.340 0.00 0 326 C
|
||||
ATOM 4896 C CD1 ? TYR Cxp 99 ? 58.352 44.217 27.023 0.00 0 326 C
|
||||
ATOM 4924 O O ? GLU Cxp 102 ? 56.618 37.405 27.670 -1.21 0 329 C
|
||||
ATOM 4533 C CB ? GLU Cxp 52 ? 60.007 57.267 0.138 0.00 0 279 C
|
||||
ATOM 4493 N NZ ? LYS Cxp 44 ? 59.948 55.800 8.159 0.00 0 271 C
|
||||
ATOM 4492 C CE ? LYS Cxp 44 ? 61.398 55.419 7.935 0.00 0 271 C
|
||||
ATOM 4565 C CD1 ? PHE Cxp 56 ? 63.711 58.360 4.956 0.00 0 283 C
|
||||
ATOM 4491 C CD ? LYS Cxp 44 ? 62.464 55.863 8.961 0.00 0 271 C
|
||||
ATOM 4591 O OE2 ? GLU Cxp 59 ? 60.141 58.852 10.727 -1.07 0 286 C
|
||||
ATOM 4489 C CB ? LYS Cxp 44 ? 64.904 55.444 9.602 0.00 0 271 C
|
||||
ATOM 4344 C CD2 ? TYR Cxp 26 ? 59.377 48.648 13.987 0.00 0 253 C
|
||||
ATOM 4477 C CB ? ALA Cxp 42 ? 66.815 52.711 16.102 0.00 0 269 C
|
||||
ATOM 4928 O OE1 ? GLU Cxp 102 ? 58.396 38.729 22.754 -0.95 0 329 C
|
||||
ATOM 4845 O O ? TYR Cxp 93 ? 60.677 45.046 23.639 -4.02 0 320 C
|
||||
ATOM 4507 C CD1 ? LEU Cxp 46 ? 63.457 56.650 1.429 0.00 0 273 C
|
||||
ATOM 4614 C CG ? MET Cxp 63 ? 60.952 62.629 14.053 0.00 0 290 C
|
||||
ATOM 4615 S SD ? MET Cxp 63 ? 61.859 61.128 13.673 0.00 0 290 C
|
||||
ATOM 5334 N N ? ASP Cxp 154 ? 56.468 56.249 15.507 0.00 0 381 C
|
||||
ATOM 4854 N N ? GLY Cxp 94 ? 61.926 46.515 22.505 -1.09 0 321 C
|
||||
ATOM 4855 C CA ? GLY Cxp 94 ? 61.148 46.414 21.286 0.00 0 321 C
|
||||
ATOM 4826 C CZ ? PHE Cxp 90 ? 68.029 47.527 20.408 0.00 0 317 C
|
||||
ATOM 4838 O O ? THR Cxp 92 ? 65.169 45.657 23.913 0.00 0 319 C
|
||||
ATOM 4858 N N ? ASN Cxp 95 ? 58.837 46.563 20.532 -2.19 0 322 C
|
||||
ATOM 4864 O OD1 ? ASN Cxp 95 ? 57.197 45.110 18.091 -1.07 0 322 C
|
||||
ATOM 4889 O OD2 ? ASP Cxp 98 ? 56.786 42.248 18.314 -0.81 0 325 C
|
||||
ATOM 4931 C CA ? CYS Cxp 103 ? 55.713 39.474 29.139 0.00 0 330 C
|
||||
ATOM 4923 C C ? GLU Cxp 102 ? 55.803 38.136 27.151 0.00 0 329 C
|
||||
ATOM 5337 O O ? ASP Cxp 154 ? 57.341 56.209 12.768 -1.07 0 381 C
|
||||
ATOM 4891 C CA ? TYR Cxp 99 ? 56.204 43.137 24.766 0.00 0 326 C
|
||||
ATOM 4890 N N ? TYR Cxp 99 ? 55.885 43.129 23.365 -2.19 0 326 C
|
||||
ATOM 4925 C CB ? GLU Cxp 102 ? 56.670 38.222 24.775 0.00 0 329 C
|
||||
ATOM 4341 C CB ? TYR Cxp 26 ? 60.784 48.778 11.861 0.00 0 253 C
|
||||
ATOM 4686 C CG1 ? VAL Cxp 72 ? 60.468 57.953 18.334 0.00 0 299 C
|
||||
ATOM 5333 C CB ? ALA Cxp 153 ? 57.973 55.244 17.737 0.00 0 380 C
|
||||
ATOM 4687 C CG2 ? VAL Cxp 72 ? 62.471 56.742 19.102 0.00 0 299 C
|
||||
ATOM 4314 C CD1 ? LEU Cxp 21 ? 66.372 48.924 15.249 0.00 0 248 C
|
||||
ATOM 4822 C CD1 ? PHE Cxp 90 ? 68.357 49.652 19.357 0.00 0 317 C
|
||||
ATOM 4827 N N ? MET Cxp 91 ? 65.600 51.395 21.975 0.00 0 318 C
|
||||
ATOM 4587 C CB ? GLU Cxp 59 ? 59.660 61.810 8.754 0.00 0 286 C
|
||||
ATOM 4584 C CA ? GLU Cxp 59 ? 59.760 63.312 8.983 0.00 0 286 C
|
||||
ATOM 4348 O OH ? TYR Cxp 26 ? 59.736 46.661 17.066 -2.14 0 253 C
|
||||
ATOM 4335 O OE1 ? GLN Cxp 25 ? 58.998 43.247 14.898 -4.69 0 252 C
|
||||
ATOM 4886 C CB ? ASP Cxp 98 ? 56.203 41.956 20.500 0.00 0 325 C
|
||||
ATOM 4929 O OE2 ? GLU Cxp 102 ? 57.083 38.222 21.105 -0.54 0 329 C
|
||||
ATOM 4316 N N ? GLY Cxp 22 ? 64.012 43.884 14.345 -6.98 0 249 C
|
||||
ATOM 4315 C CD2 ? LEU Cxp 21 ? 67.339 46.763 16.058 0.00 0 248 C
|
||||
ATOM 4312 C CB ? LEU Cxp 21 ? 65.502 46.661 14.421 0.00 0 248 C
|
||||
ATOM 4893 O O ? TYR Cxp 99 ? 55.173 41.873 26.595 0.00 0 326 C
|
||||
ATOM 5331 C C ? ALA Cxp 153 ? 55.953 56.313 16.712 0.00 0 380 C
|
||||
ATOM 5332 O O ? ALA Cxp 153 ? 54.761 56.347 16.907 0.00 0 380 C
|
||||
ATOM 4485 N N ? LYS Cxp 44 ? 66.985 54.643 10.662 0.00 0 271 C
|
||||
ATOM 4317 C CA ? GLY Cxp 22 ? 62.747 43.150 14.231 0.00 0 249 C
|
||||
ATOM 4343 C CD1 ? TYR Cxp 26 ? 61.357 47.296 13.808 0.00 0 253 C
|
||||
ATOM 4830 O O ? MET Cxp 91 ? 64.488 48.834 22.426 0.00 0 318 C
|
||||
ATOM 4824 C CE1 ? PHE Cxp 90 ? 68.165 48.287 19.279 0.00 0 317 C
|
||||
ATOM 5258 C CD1 ? LEU Cxp 143 ? 60.801 52.853 19.522 0.00 0 370 C
|
||||
ATOM 4810 O O ? GLU Cxp 89 ? 66.226 54.641 19.567 0.00 0 316 C
|
||||
ATOM 4590 O OE1 ? GLU Cxp 59 ? 60.143 59.180 8.562 0.00 0 286 C
|
||||
ATOM 4560 C CA ? PHE Cxp 56 ? 61.727 61.139 4.612 0.00 0 283 C
|
||||
ATOM 4552 C C ? GLU Cxp 55 ? 59.443 61.938 4.041 0.00 0 282 C
|
||||
ATOM 4553 O O ? GLU Cxp 55 ? 59.074 62.152 5.210 -0.40 0 282 C
|
||||
ATOM 4559 N N ? PHE Cxp 56 ? 60.677 61.556 3.690 0.00 0 283 C
|
||||
ATOM 5354 C CA ? GLY Cxp 156 ? 55.185 54.289 9.070 0.00 0 383 C
|
||||
ATOM 5340 O OD1 ? ASP Cxp 154 ? 54.160 56.484 12.072 -0.40 0 381 C
|
||||
ATOM 4588 C CG ? GLU Cxp 59 ? 59.879 61.018 10.009 0.00 0 286 C
|
||||
ATOM 4586 O O ? GLU Cxp 59 ? 60.890 64.044 10.965 0.00 0 286 C
|
||||
ATOM 4554 C CB ? GLU Cxp 55 ? 57.705 60.840 2.562 0.00 0 282 C
|
||||
ATOM 5356 O O ? GLY Cxp 156 ? 55.311 52.499 7.563 -3.62 0 383 C
|
||||
ATOM 5376 C CG ? ARG Cxp 159 ? 54.486 53.056 3.655 0.00 0 386 C
|
||||
ATOM 5259 C CD2 ? LEU Cxp 143 ? 60.391 50.436 19.544 0.00 0 370 C
|
||||
ATOM 4346 C CE2 ? TYR Cxp 26 ? 59.090 48.126 15.277 0.00 0 253 C
|
||||
ATOM 4347 C CZ ? TYR Cxp 26 ? 59.971 47.200 15.806 0.00 0 253 C
|
||||
ATOM 4345 C CE1 ? TYR Cxp 26 ? 61.109 46.769 15.049 0.00 0 253 C
|
||||
ATOM 4790 C CG2 ? ILE Cxp 86 ? 65.267 59.719 11.684 0.00 0 313 C
|
||||
ATOM 5343 C CA ? PHE Cxp 155 ? 57.162 53.520 12.244 0.00 0 382 C
|
||||
ATOM 5345 O O ? PHE Cxp 155 ? 57.545 52.974 9.992 -1.07 0 382 C
|
||||
ATOM 4476 O O ? ALA Cxp 42 ? 68.283 54.987 14.590 0.00 0 269 C
|
||||
ATOM 4497 O O ? THR Cxp 45 ? 65.625 53.907 4.664 -2.55 0 272 C
|
||||
ATOM 4368 C CG2 ? VAL Cxp 29 ? 63.667 51.380 10.691 0.00 0 256 C
|
||||
ATOM 5346 C CB ? PHE Cxp 155 ? 57.304 52.068 12.736 0.00 0 382 C
|
||||
ATOM 5353 N N ? GLY Cxp 156 ? 55.685 54.235 10.437 0.00 0 383 C
|
||||
ATOM 5330 C CA ? ALA Cxp 153 ? 56.928 56.348 17.874 0.00 0 380 C
|
||||
ATOM 5325 O O ? VAL Cxp 152 ? 57.290 57.718 20.233 0.00 0 379 C
|
||||
ATOM 4589 C CD ? GLU Cxp 59 ? 60.082 59.588 9.746 0.00 0 286 C
|
||||
ATOM 5339 C CG ? ASP Cxp 154 ? 54.313 57.558 12.649 0.00 0 381 C
|
||||
ATOM 4787 O O ? ILE Cxp 86 ? 67.579 57.024 11.540 0.00 0 313 C
|
||||
ATOM 4532 O O ? GLU Cxp 52 ? 60.629 60.058 1.220 -1.07 0 279 C
|
||||
ATOM 4563 C CB ? PHE Cxp 56 ? 62.803 60.407 3.827 0.00 0 283 C
|
||||
ATOM 4555 C CG ? GLU Cxp 55 ? 56.341 60.714 3.218 0.00 0 282 C
|
||||
ATOM 4557 O OE1 ? GLU Cxp 55 ? 54.968 62.335 4.361 0.00 0 282 C
|
||||
ATOM 5124 C CD1 ? LEU Cxp 127 ? 52.412 62.880 19.111 0.00 0 354 C
|
||||
ATOM 5175 O O ? ILE Cxp 133 ? 50.155 63.679 13.849 -1.07 0 360 C
|
||||
ATOM 4642 C CD1 ? ILE Cxp 66 ? 57.564 64.926 16.918 0.00 0 293 C
|
||||
ATOM 5181 C CA ? HIS Cxp 134 ? 49.968 61.358 15.298 0.00 0 361 C
|
||||
ATOM 5168 C CD2 ? PHE Cxp 132 ? 53.775 68.288 14.726 0.00 0 359 C
|
||||
ATOM 5165 C CB ? PHE Cxp 132 ? 52.152 67.148 16.265 0.00 0 359 C
|
||||
ATOM 4607 C CG1 ? VAL Cxp 62 ? 56.843 66.361 13.193 0.00 0 289 C
|
||||
ATOM 5349 C CD2 ? PHE Cxp 155 ? 58.617 52.809 14.766 0.00 0 382 C
|
||||
ATOM 4806 C CG2 ? THR Cxp 88 ? 64.918 58.267 15.934 0.00 0 315 C
|
||||
ATOM 5351 C CE2 ? PHE Cxp 155 ? 58.958 52.743 16.096 0.00 0 382 C
|
||||
ATOM 4805 O OG1 ? THR Cxp 88 ? 65.292 56.165 17.041 0.00 0 315 C
|
||||
ATOM 5166 C CG ? PHE Cxp 132 ? 53.337 68.020 16.020 0.00 0 359 C
|
||||
ATOM 5187 C CD2 ? HIS Cxp 134 ? 52.038 58.986 17.107 0.00 0 361 C
|
||||
ATOM 5125 C CD2 ? LEU Cxp 127 ? 53.933 64.923 19.034 0.00 0 354 C
|
||||
ATOM 4367 C CG1 ? VAL Cxp 29 ? 65.278 51.087 12.687 0.00 0 256 C
|
||||
ATOM 4342 C CG ? TYR Cxp 26 ? 60.508 48.226 13.248 0.00 0 253 C
|
||||
ATOM 4680 C CD2 ? LEU Cxp 71 ? 55.947 61.004 20.573 0.00 0 298 C
|
||||
ATOM 5338 C CB ? ASP Cxp 154 ? 55.209 57.618 13.892 0.00 0 381 C
|
||||
ATOM 4684 O O ? VAL Cxp 72 ? 61.863 60.416 19.355 -5.36 0 299 C
|
||||
ATOM 4640 C CG1 ? ILE Cxp 66 ? 58.912 65.273 17.720 0.00 0 293 C
|
||||
ATOM 4677 C CB ? LEU Cxp 71 ? 58.112 61.528 21.791 0.00 0 298 C
|
||||
ATOM 5341 O OD2 ? ASP Cxp 154 ? 53.714 58.561 12.241 -0.14 0 381 C
|
||||
ATOM 5183 O O ? HIS Cxp 134 ? 50.262 60.307 13.190 0.00 0 361 C
|
||||
ATOM 4608 C CG2 ? VAL Cxp 62 ? 57.086 66.805 10.673 0.00 0 289 C
|
||||
ATOM 4606 C CB ? VAL Cxp 62 ? 57.804 66.325 11.964 0.00 0 289 C
|
||||
ATOM 4849 C CD2 ? TYR Cxp 93 ? 62.771 44.062 27.626 0.00 0 320 C
|
||||
ATOM 4898 C CE1 ? TYR Cxp 99 ? 58.734 44.320 28.340 0.00 0 326 C
|
||||
ATOM 4896 C CD1 ? TYR Cxp 99 ? 58.352 44.217 27.023 0.00 0 326 C
|
||||
ATOM 4924 O O ? GLU Cxp 102 ? 56.618 37.405 27.670 -1.21 0 329 C
|
||||
ATOM 4533 C CB ? GLU Cxp 52 ? 60.007 57.267 0.138 0.00 0 279 C
|
||||
ATOM 4493 N NZ ? LYS Cxp 44 ? 59.948 55.800 8.159 0.00 0 271 C
|
||||
ATOM 4492 C CE ? LYS Cxp 44 ? 61.398 55.419 7.935 0.00 0 271 C
|
||||
ATOM 4565 C CD1 ? PHE Cxp 56 ? 63.711 58.360 4.956 0.00 0 283 C
|
||||
ATOM 4491 C CD ? LYS Cxp 44 ? 62.464 55.863 8.961 0.00 0 271 C
|
||||
ATOM 4591 O OE2 ? GLU Cxp 59 ? 60.141 58.852 10.727 -1.07 0 286 C
|
||||
ATOM 4489 C CB ? LYS Cxp 44 ? 64.904 55.444 9.602 0.00 0 271 C
|
||||
ATOM 4344 C CD2 ? TYR Cxp 26 ? 59.377 48.648 13.987 0.00 0 253 C
|
||||
ATOM 4477 C CB ? ALA Cxp 42 ? 66.815 52.711 16.102 0.00 0 269 C
|
||||
ATOM 4928 O OE1 ? GLU Cxp 102 ? 58.396 38.729 22.754 -0.95 0 329 C
|
||||
ATOM 4845 O O ? TYR Cxp 93 ? 60.677 45.046 23.639 -4.02 0 320 C
|
||||
ATOM 4507 C CD1 ? LEU Cxp 46 ? 63.457 56.650 1.429 0.00 0 273 C
|
||||
ATOM 4614 C CG ? MET Cxp 63 ? 60.952 62.629 14.053 0.00 0 290 C
|
||||
ATOM 4615 S SD ? MET Cxp 63 ? 61.859 61.128 13.673 0.00 0 290 C
|
||||
ATOM 5334 N N ? ASP Cxp 154 ? 56.468 56.249 15.507 0.00 0 381 C
|
||||
ATOM 4854 N N ? GLY Cxp 94 ? 61.926 46.515 22.505 -1.09 0 321 C
|
||||
ATOM 4855 C CA ? GLY Cxp 94 ? 61.148 46.414 21.286 0.00 0 321 C
|
||||
ATOM 4826 C CZ ? PHE Cxp 90 ? 68.029 47.527 20.408 0.00 0 317 C
|
||||
ATOM 4838 O O ? THR Cxp 92 ? 65.169 45.657 23.913 0.00 0 319 C
|
||||
ATOM 4858 N N ? ASN Cxp 95 ? 58.837 46.563 20.532 -2.19 0 322 C
|
||||
ATOM 4864 O OD1 ? ASN Cxp 95 ? 57.197 45.110 18.091 -1.07 0 322 C
|
||||
ATOM 4889 O OD2 ? ASP Cxp 98 ? 56.786 42.248 18.314 -0.81 0 325 C
|
||||
ATOM 4931 C CA ? CYS Cxp 103 ? 55.713 39.474 29.139 0.00 0 330 C
|
||||
ATOM 4923 C C ? GLU Cxp 102 ? 55.803 38.136 27.151 0.00 0 329 C
|
||||
ATOM 5337 O O ? ASP Cxp 154 ? 57.341 56.209 12.768 -1.07 0 381 C
|
||||
ATOM 4891 C CA ? TYR Cxp 99 ? 56.204 43.137 24.766 0.00 0 326 C
|
||||
ATOM 4890 N N ? TYR Cxp 99 ? 55.885 43.129 23.365 -2.19 0 326 C
|
||||
ATOM 4925 C CB ? GLU Cxp 102 ? 56.670 38.222 24.775 0.00 0 329 C
|
||||
ATOM 4341 C CB ? TYR Cxp 26 ? 60.784 48.778 11.861 0.00 0 253 C
|
||||
ATOM 4686 C CG1 ? VAL Cxp 72 ? 60.468 57.953 18.334 0.00 0 299 C
|
||||
ATOM 5333 C CB ? ALA Cxp 153 ? 57.973 55.244 17.737 0.00 0 380 C
|
||||
ATOM 4687 C CG2 ? VAL Cxp 72 ? 62.471 56.742 19.102 0.00 0 299 C
|
||||
ATOM 4314 C CD1 ? LEU Cxp 21 ? 66.372 48.924 15.249 0.00 0 248 C
|
||||
ATOM 4822 C CD1 ? PHE Cxp 90 ? 68.357 49.652 19.357 0.00 0 317 C
|
||||
ATOM 4827 N N ? MET Cxp 91 ? 65.600 51.395 21.975 0.00 0 318 C
|
||||
ATOM 4587 C CB ? GLU Cxp 59 ? 59.660 61.810 8.754 0.00 0 286 C
|
||||
ATOM 4584 C CA ? GLU Cxp 59 ? 59.760 63.312 8.983 0.00 0 286 C
|
||||
ATOM 4348 O OH ? TYR Cxp 26 ? 59.736 46.661 17.066 -2.14 0 253 C
|
||||
ATOM 4335 O OE1 ? GLN Cxp 25 ? 58.998 43.247 14.898 -4.69 0 252 C
|
||||
ATOM 4886 C CB ? ASP Cxp 98 ? 56.203 41.956 20.500 0.00 0 325 C
|
||||
ATOM 4929 O OE2 ? GLU Cxp 102 ? 57.083 38.222 21.105 -0.54 0 329 C
|
||||
ATOM 4316 N N ? GLY Cxp 22 ? 64.012 43.884 14.345 -6.98 0 249 C
|
||||
ATOM 4315 C CD2 ? LEU Cxp 21 ? 67.339 46.763 16.058 0.00 0 248 C
|
||||
ATOM 4312 C CB ? LEU Cxp 21 ? 65.502 46.661 14.421 0.00 0 248 C
|
||||
ATOM 4893 O O ? TYR Cxp 99 ? 55.173 41.873 26.595 0.00 0 326 C
|
||||
ATOM 5331 C C ? ALA Cxp 153 ? 55.953 56.313 16.712 0.00 0 380 C
|
||||
ATOM 5332 O O ? ALA Cxp 153 ? 54.761 56.347 16.907 0.00 0 380 C
|
||||
ATOM 4485 N N ? LYS Cxp 44 ? 66.985 54.643 10.662 0.00 0 271 C
|
||||
ATOM 4317 C CA ? GLY Cxp 22 ? 62.747 43.150 14.231 0.00 0 249 C
|
||||
ATOM 4343 C CD1 ? TYR Cxp 26 ? 61.357 47.296 13.808 0.00 0 253 C
|
||||
ATOM 4830 O O ? MET Cxp 91 ? 64.488 48.834 22.426 0.00 0 318 C
|
||||
ATOM 4824 C CE1 ? PHE Cxp 90 ? 68.165 48.287 19.279 0.00 0 317 C
|
||||
ATOM 5258 C CD1 ? LEU Cxp 143 ? 60.801 52.853 19.522 0.00 0 370 C
|
||||
ATOM 4810 O O ? GLU Cxp 89 ? 66.226 54.641 19.567 0.00 0 316 C
|
||||
ATOM 4590 O OE1 ? GLU Cxp 59 ? 60.143 59.180 8.562 0.00 0 286 C
|
||||
ATOM 4560 C CA ? PHE Cxp 56 ? 61.727 61.139 4.612 0.00 0 283 C
|
||||
ATOM 4552 C C ? GLU Cxp 55 ? 59.443 61.938 4.041 0.00 0 282 C
|
||||
ATOM 4553 O O ? GLU Cxp 55 ? 59.074 62.152 5.210 -0.40 0 282 C
|
||||
ATOM 4559 N N ? PHE Cxp 56 ? 60.677 61.556 3.690 0.00 0 283 C
|
||||
ATOM 5354 C CA ? GLY Cxp 156 ? 55.185 54.289 9.070 0.00 0 383 C
|
||||
ATOM 5340 O OD1 ? ASP Cxp 154 ? 54.160 56.484 12.072 -0.40 0 381 C
|
||||
ATOM 4588 C CG ? GLU Cxp 59 ? 59.879 61.018 10.009 0.00 0 286 C
|
||||
ATOM 4586 O O ? GLU Cxp 59 ? 60.890 64.044 10.965 0.00 0 286 C
|
||||
ATOM 4554 C CB ? GLU Cxp 55 ? 57.705 60.840 2.562 0.00 0 282 C
|
||||
ATOM 5356 O O ? GLY Cxp 156 ? 55.311 52.499 7.563 -3.62 0 383 C
|
||||
ATOM 5376 C CG ? ARG Cxp 159 ? 54.486 53.056 3.655 0.00 0 386 C
|
||||
ATOM 5259 C CD2 ? LEU Cxp 143 ? 60.391 50.436 19.544 0.00 0 370 C
|
||||
ATOM 4346 C CE2 ? TYR Cxp 26 ? 59.090 48.126 15.277 0.00 0 253 C
|
||||
ATOM 4347 C CZ ? TYR Cxp 26 ? 59.971 47.200 15.806 0.00 0 253 C
|
||||
ATOM 4345 C CE1 ? TYR Cxp 26 ? 61.109 46.769 15.049 0.00 0 253 C
|
||||
ATOM 4790 C CG2 ? ILE Cxp 86 ? 65.267 59.719 11.684 0.00 0 313 C
|
||||
ATOM 5343 C CA ? PHE Cxp 155 ? 57.162 53.520 12.244 0.00 0 382 C
|
||||
ATOM 5345 O O ? PHE Cxp 155 ? 57.545 52.974 9.992 -1.07 0 382 C
|
||||
ATOM 4476 O O ? ALA Cxp 42 ? 68.283 54.987 14.590 0.00 0 269 C
|
||||
ATOM 4497 O O ? THR Cxp 45 ? 65.625 53.907 4.664 -2.55 0 272 C
|
||||
ATOM 4368 C CG2 ? VAL Cxp 29 ? 63.667 51.380 10.691 0.00 0 256 C
|
||||
ATOM 5346 C CB ? PHE Cxp 155 ? 57.304 52.068 12.736 0.00 0 382 C
|
||||
ATOM 5353 N N ? GLY Cxp 156 ? 55.685 54.235 10.437 0.00 0 383 C
|
||||
ATOM 5330 C CA ? ALA Cxp 153 ? 56.928 56.348 17.874 0.00 0 380 C
|
||||
ATOM 5325 O O ? VAL Cxp 152 ? 57.290 57.718 20.233 0.00 0 379 C
|
||||
ATOM 4589 C CD ? GLU Cxp 59 ? 60.082 59.588 9.746 0.00 0 286 C
|
||||
ATOM 5339 C CG ? ASP Cxp 154 ? 54.313 57.558 12.649 0.00 0 381 C
|
||||
ATOM 4787 O O ? ILE Cxp 86 ? 67.579 57.024 11.540 0.00 0 313 C
|
||||
ATOM 4532 O O ? GLU Cxp 52 ? 60.629 60.058 1.220 -1.07 0 279 C
|
||||
ATOM 4563 C CB ? PHE Cxp 56 ? 62.803 60.407 3.827 0.00 0 283 C
|
||||
ATOM 4555 C CG ? GLU Cxp 55 ? 56.341 60.714 3.218 0.00 0 282 C
|
||||
ATOM 4557 O OE1 ? GLU Cxp 55 ? 54.968 62.335 4.361 0.00 0 282 C
|
||||
#
|
||||
|
||||
@@ -17,217 +17,217 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 4309 C CA ? LEU Cxp 21 ? 65.825 45.363 13.662 0.00 0 248 C
|
||||
ATOM 4310 C C ? LEU Cxp 21 ? 64.536 44.614 13.361 0.00 0 248 C
|
||||
ATOM 4312 C CB ? LEU Cxp 21 ? 65.502 46.661 14.421 0.00 0 248 C
|
||||
ATOM 4313 C CG ? LEU Cxp 21 ? 66.698 47.490 14.883 0.00 0 248 C
|
||||
ATOM 4314 C CD1 ? LEU Cxp 21 ? 66.372 48.924 15.249 0.00 0 248 C
|
||||
ATOM 4315 C CD2 ? LEU Cxp 21 ? 67.339 46.763 16.058 0.00 0 248 C
|
||||
ATOM 4316 N N ? GLY Cxp 22 ? 64.012 43.884 14.345 -6.98 0 249 C
|
||||
ATOM 4317 C CA ? GLY Cxp 22 ? 62.747 43.150 14.231 0.00 0 249 C
|
||||
ATOM 4334 C CD ? GLN Cxp 25 ? 58.140 44.074 14.570 0.00 0 252 C
|
||||
ATOM 4335 O OE1 ? GLN Cxp 25 ? 58.998 43.247 14.898 -4.69 0 252 C
|
||||
ATOM 4336 N NE2 ? GLN Cxp 25 ? 57.317 44.634 15.447 -3.70 0 252 C
|
||||
ATOM 4338 C CA ? TYR Cxp 26 ? 60.002 48.078 10.730 0.00 0 253 C
|
||||
ATOM 4340 O O ? TYR Cxp 26 ? 60.592 49.665 9.045 -3.21 0 253 C
|
||||
ATOM 4341 C CB ? TYR Cxp 26 ? 60.784 48.778 11.861 0.00 0 253 C
|
||||
ATOM 4342 C CG ? TYR Cxp 26 ? 60.508 48.226 13.248 0.00 0 253 C
|
||||
ATOM 4343 C CD1 ? TYR Cxp 26 ? 61.357 47.296 13.808 0.00 0 253 C
|
||||
ATOM 4344 C CD2 ? TYR Cxp 26 ? 59.377 48.648 13.987 0.00 0 253 C
|
||||
ATOM 4345 C CE1 ? TYR Cxp 26 ? 61.109 46.769 15.049 0.00 0 253 C
|
||||
ATOM 4346 C CE2 ? TYR Cxp 26 ? 59.090 48.126 15.277 0.00 0 253 C
|
||||
ATOM 4347 C CZ ? TYR Cxp 26 ? 59.971 47.200 15.806 0.00 0 253 C
|
||||
ATOM 4348 O OH ? TYR Cxp 26 ? 59.736 46.661 17.066 -2.14 0 253 C
|
||||
ATOM 4366 C CB ? VAL Cxp 29 ? 64.687 50.461 11.321 0.00 0 256 C
|
||||
ATOM 4367 C CG1 ? VAL Cxp 29 ? 65.278 51.087 12.687 0.00 0 256 C
|
||||
ATOM 4368 C CG2 ? VAL Cxp 29 ? 63.667 51.380 10.691 0.00 0 256 C
|
||||
ATOM 4474 C CA ? ALA Cxp 42 ? 68.331 52.880 15.676 0.00 0 269 C
|
||||
ATOM 4475 C C ? ALA Cxp 42 ? 68.451 53.776 14.487 0.00 0 269 C
|
||||
ATOM 4476 O O ? ALA Cxp 42 ? 68.283 54.987 14.590 0.00 0 269 C
|
||||
ATOM 4477 C CB ? ALA Cxp 42 ? 66.815 52.711 16.102 0.00 0 269 C
|
||||
ATOM 4478 N N ? VAL Cxp 43 ? 68.686 53.184 13.337 0.00 0 270 C
|
||||
ATOM 4479 C CA ? VAL Cxp 43 ? 68.854 53.984 12.121 0.00 0 270 C
|
||||
ATOM 4480 C C ? VAL Cxp 43 ? 67.829 53.673 11.024 0.00 0 270 C
|
||||
ATOM 4485 N N ? LYS Cxp 44 ? 66.985 54.643 10.662 0.00 0 271 C
|
||||
ATOM 4486 C CA ? LYS Cxp 44 ? 66.141 54.548 9.456 0.00 0 271 C
|
||||
ATOM 4489 C CB ? LYS Cxp 44 ? 64.904 55.444 9.602 0.00 0 271 C
|
||||
ATOM 4490 C CG ? LYS Cxp 44 ? 63.734 55.094 8.667 0.00 0 271 C
|
||||
ATOM 4491 C CD ? LYS Cxp 44 ? 62.464 55.863 8.961 0.00 0 271 C
|
||||
ATOM 4492 C CE ? LYS Cxp 44 ? 61.398 55.419 7.935 0.00 0 271 C
|
||||
ATOM 4493 N NZ ? LYS Cxp 44 ? 59.948 55.800 8.159 0.00 0 271 C
|
||||
ATOM 4496 C C ? THR Cxp 45 ? 66.704 54.505 4.719 0.00 0 272 C
|
||||
ATOM 4497 O O ? THR Cxp 45 ? 65.625 53.907 4.664 -2.55 0 272 C
|
||||
ATOM 4505 C CB ? LEU Cxp 46 ? 65.738 56.785 2.407 0.00 0 273 C
|
||||
ATOM 4507 C CD1 ? LEU Cxp 46 ? 63.457 56.650 1.429 0.00 0 273 C
|
||||
ATOM 4530 C CA ? GLU Cxp 52 ? 59.974 58.619 -0.607 0.00 0 279 C
|
||||
ATOM 4531 C C ? GLU Cxp 52 ? 60.889 59.675 0.070 0.00 0 279 C
|
||||
ATOM 4532 O O ? GLU Cxp 52 ? 60.629 60.058 1.220 -1.07 0 279 C
|
||||
ATOM 4533 C CB ? GLU Cxp 52 ? 60.007 57.267 0.138 0.00 0 279 C
|
||||
ATOM 4551 C CA ? GLU Cxp 55 ? 58.464 62.142 2.868 0.00 0 282 C
|
||||
ATOM 4552 C C ? GLU Cxp 55 ? 59.443 61.938 4.041 0.00 0 282 C
|
||||
ATOM 4553 O O ? GLU Cxp 55 ? 59.074 62.152 5.210 -0.40 0 282 C
|
||||
ATOM 4554 C CB ? GLU Cxp 55 ? 57.705 60.840 2.562 0.00 0 282 C
|
||||
ATOM 4555 C CG ? GLU Cxp 55 ? 56.341 60.714 3.218 0.00 0 282 C
|
||||
ATOM 4556 C CD ? GLU Cxp 55 ? 55.575 62.043 3.296 0.00 0 282 C
|
||||
ATOM 4557 O OE1 ? GLU Cxp 55 ? 54.968 62.335 4.361 0.00 0 282 C
|
||||
ATOM 4559 N N ? PHE Cxp 56 ? 60.677 61.556 3.690 0.00 0 283 C
|
||||
ATOM 4560 C CA ? PHE Cxp 56 ? 61.727 61.139 4.612 0.00 0 283 C
|
||||
ATOM 4563 C CB ? PHE Cxp 56 ? 62.803 60.407 3.827 0.00 0 283 C
|
||||
ATOM 4564 C CG ? PHE Cxp 56 ? 63.829 59.722 4.676 0.00 0 283 C
|
||||
ATOM 4565 C CD1 ? PHE Cxp 56 ? 63.711 58.360 4.956 0.00 0 283 C
|
||||
ATOM 4567 C CE1 ? PHE Cxp 56 ? 64.665 57.708 5.732 0.00 0 283 C
|
||||
ATOM 4581 O O ? LYS Cxp 58 ? 59.033 65.956 8.597 0.00 0 285 C
|
||||
ATOM 4583 N N ? GLU Cxp 59 ? 59.754 64.014 7.713 -1.09 0 286 C
|
||||
ATOM 4584 C CA ? GLU Cxp 59 ? 59.760 63.312 8.983 0.00 0 286 C
|
||||
ATOM 4585 C C ? GLU Cxp 59 ? 61.012 63.718 9.801 0.00 0 286 C
|
||||
ATOM 4586 O O ? GLU Cxp 59 ? 60.890 64.044 10.965 0.00 0 286 C
|
||||
ATOM 4587 C CB ? GLU Cxp 59 ? 59.660 61.810 8.754 0.00 0 286 C
|
||||
ATOM 4588 C CG ? GLU Cxp 59 ? 59.879 61.018 10.009 0.00 0 286 C
|
||||
ATOM 4589 C CD ? GLU Cxp 59 ? 60.082 59.588 9.746 0.00 0 286 C
|
||||
ATOM 4590 O OE1 ? GLU Cxp 59 ? 60.143 59.180 8.562 0.00 0 286 C
|
||||
ATOM 4591 O OE2 ? GLU Cxp 59 ? 60.141 58.852 10.727 -1.07 0 286 C
|
||||
ATOM 4604 C C ? VAL Cxp 62 ? 59.706 66.684 13.538 0.00 0 289 C
|
||||
ATOM 4606 C CB ? VAL Cxp 62 ? 57.804 66.325 11.964 0.00 0 289 C
|
||||
ATOM 4607 C CG1 ? VAL Cxp 62 ? 56.843 66.361 13.193 0.00 0 289 C
|
||||
ATOM 4608 C CG2 ? VAL Cxp 62 ? 57.086 66.805 10.673 0.00 0 289 C
|
||||
ATOM 4609 N N ? MET Cxp 63 ? 60.563 65.681 13.428 0.00 0 290 C
|
||||
ATOM 4613 C CB ? MET Cxp 63 ? 61.901 63.786 14.236 0.00 0 290 C
|
||||
ATOM 4614 C CG ? MET Cxp 63 ? 60.952 62.629 14.053 0.00 0 290 C
|
||||
ATOM 4615 S SD ? MET Cxp 63 ? 61.859 61.128 13.673 0.00 0 290 C
|
||||
ATOM 4616 C CE ? MET Cxp 63 ? 61.818 61.384 11.995 0.00 0 290 C
|
||||
ATOM 4639 C CB ? ILE Cxp 66 ? 58.639 66.208 18.869 0.00 0 293 C
|
||||
ATOM 4640 C CG1 ? ILE Cxp 66 ? 58.912 65.273 17.720 0.00 0 293 C
|
||||
ATOM 4642 C CD1 ? ILE Cxp 66 ? 57.564 64.926 16.918 0.00 0 293 C
|
||||
ATOM 4674 C CA ? LEU Cxp 71 ? 58.528 60.228 22.492 0.00 0 298 C
|
||||
ATOM 4675 C C ? LEU Cxp 71 ? 59.922 59.793 22.078 0.00 0 298 C
|
||||
ATOM 4677 C CB ? LEU Cxp 71 ? 58.112 61.528 21.791 0.00 0 298 C
|
||||
ATOM 4678 C CG ? LEU Cxp 71 ? 56.577 61.697 21.797 0.00 0 298 C
|
||||
ATOM 4680 C CD2 ? LEU Cxp 71 ? 55.947 61.004 20.573 0.00 0 298 C
|
||||
ATOM 4681 N N ? VAL Cxp 72 ? 60.009 58.893 21.100 0.00 0 299 C
|
||||
ATOM 4683 C C ? VAL Cxp 72 ? 62.252 59.595 20.196 0.00 0 299 C
|
||||
ATOM 4684 O O ? VAL Cxp 72 ? 61.863 60.416 19.355 -5.36 0 299 C
|
||||
ATOM 4685 C CB ? VAL Cxp 72 ? 61.147 57.312 19.529 0.00 0 299 C
|
||||
ATOM 4686 C CG1 ? VAL Cxp 72 ? 60.468 57.953 18.334 0.00 0 299 C
|
||||
ATOM 4687 C CG2 ? VAL Cxp 72 ? 62.471 56.742 19.102 0.00 0 299 C
|
||||
ATOM 4786 C C ? ILE Cxp 86 ? 67.749 58.236 11.640 0.00 0 313 C
|
||||
ATOM 4787 O O ? ILE Cxp 86 ? 67.579 57.024 11.540 0.00 0 313 C
|
||||
ATOM 4788 C CB ? ILE Cxp 86 ? 65.914 59.237 10.348 0.00 0 313 C
|
||||
ATOM 4790 C CG2 ? ILE Cxp 86 ? 65.267 59.719 11.684 0.00 0 313 C
|
||||
ATOM 4800 N N ? THR Cxp 88 ? 67.723 57.504 15.818 0.00 0 315 C
|
||||
ATOM 4804 C CB ? THR Cxp 88 ? 65.559 57.569 17.104 0.00 0 315 C
|
||||
ATOM 4805 O OG1 ? THR Cxp 88 ? 65.292 56.165 17.041 0.00 0 315 C
|
||||
ATOM 4806 C CG2 ? THR Cxp 88 ? 64.918 58.267 15.934 0.00 0 315 C
|
||||
ATOM 4809 C C ? GLU Cxp 89 ? 67.131 54.920 20.346 0.00 0 316 C
|
||||
ATOM 4810 O O ? GLU Cxp 89 ? 66.226 54.641 19.567 0.00 0 316 C
|
||||
ATOM 4817 C CA ? PHE Cxp 90 ? 67.450 52.586 20.886 0.00 0 317 C
|
||||
ATOM 4818 C C ? PHE Cxp 90 ? 66.693 52.151 22.165 0.00 0 317 C
|
||||
ATOM 4820 C CB ? PHE Cxp 90 ? 68.719 51.763 20.661 0.00 0 317 C
|
||||
ATOM 4821 C CG ? PHE Cxp 90 ? 68.478 50.271 20.568 0.00 0 317 C
|
||||
ATOM 4822 C CD1 ? PHE Cxp 90 ? 68.357 49.652 19.357 0.00 0 317 C
|
||||
ATOM 4824 C CE1 ? PHE Cxp 90 ? 68.165 48.287 19.279 0.00 0 317 C
|
||||
ATOM 4825 C CE2 ? PHE Cxp 90 ? 68.168 48.136 21.643 0.00 0 317 C
|
||||
ATOM 4826 C CZ ? PHE Cxp 90 ? 68.029 47.527 20.408 0.00 0 317 C
|
||||
ATOM 4827 N N ? MET Cxp 91 ? 65.600 51.395 21.975 0.00 0 318 C
|
||||
ATOM 4828 C CA ? MET Cxp 91 ? 64.687 51.072 23.087 0.00 0 318 C
|
||||
ATOM 4829 C C ? MET Cxp 91 ? 64.825 49.585 23.311 0.00 0 318 C
|
||||
ATOM 4830 O O ? MET Cxp 91 ? 64.488 48.834 22.426 0.00 0 318 C
|
||||
ATOM 4831 C CB ? MET Cxp 91 ? 63.247 51.450 22.726 0.00 0 318 C
|
||||
ATOM 4832 C CG ? MET Cxp 91 ? 63.058 52.948 22.613 0.00 0 318 C
|
||||
ATOM 4837 C C ? THR Cxp 92 ? 64.810 46.729 24.429 0.00 0 319 C
|
||||
ATOM 4838 O O ? THR Cxp 92 ? 65.169 45.657 23.913 0.00 0 319 C
|
||||
ATOM 4843 C CA ? TYR Cxp 93 ? 62.583 45.894 24.767 0.00 0 320 C
|
||||
ATOM 4844 C C ? TYR Cxp 93 ? 61.651 45.780 23.573 0.00 0 320 C
|
||||
ATOM 4845 O O ? TYR Cxp 93 ? 60.677 45.046 23.639 -4.02 0 320 C
|
||||
ATOM 4846 C CB ? TYR Cxp 93 ? 61.822 45.842 26.120 0.00 0 320 C
|
||||
ATOM 4847 C CG ? TYR Cxp 93 ? 62.708 45.399 27.251 0.00 0 320 C
|
||||
ATOM 4849 C CD2 ? TYR Cxp 93 ? 62.771 44.062 27.626 0.00 0 320 C
|
||||
ATOM 4851 C CE2 ? TYR Cxp 93 ? 63.623 43.640 28.650 0.00 0 320 C
|
||||
ATOM 4854 N N ? GLY Cxp 94 ? 61.926 46.515 22.505 -1.09 0 321 C
|
||||
ATOM 4855 C CA ? GLY Cxp 94 ? 61.148 46.414 21.286 0.00 0 321 C
|
||||
ATOM 4856 C C ? GLY Cxp 94 ? 59.784 47.035 21.343 0.00 0 321 C
|
||||
ATOM 4858 N N ? ASN Cxp 95 ? 58.837 46.563 20.532 -2.19 0 322 C
|
||||
ATOM 4861 O O ? ASN Cxp 95 ? 56.724 45.626 22.065 0.00 0 322 C
|
||||
ATOM 4863 C CG ? ASN Cxp 95 ? 56.450 45.916 18.682 0.00 0 322 C
|
||||
ATOM 4864 O OD1 ? ASN Cxp 95 ? 57.197 45.110 18.091 -1.07 0 322 C
|
||||
ATOM 4883 C CA ? ASP Cxp 98 ? 54.984 42.071 21.363 0.00 0 325 C
|
||||
ATOM 4884 C C ? ASP Cxp 98 ? 55.443 42.017 22.812 0.00 0 325 C
|
||||
ATOM 4885 O O ? ASP Cxp 98 ? 55.375 40.977 23.443 0.00 0 325 C
|
||||
ATOM 4886 C CB ? ASP Cxp 98 ? 56.203 41.956 20.500 0.00 0 325 C
|
||||
ATOM 4887 C CG ? ASP Cxp 98 ? 55.860 41.893 19.062 0.00 0 325 C
|
||||
ATOM 4889 O OD2 ? ASP Cxp 98 ? 56.786 42.248 18.314 -0.81 0 325 C
|
||||
ATOM 4890 N N ? TYR Cxp 99 ? 55.885 43.129 23.365 -2.19 0 326 C
|
||||
ATOM 4891 C CA ? TYR Cxp 99 ? 56.204 43.137 24.766 0.00 0 326 C
|
||||
ATOM 4892 C C ? TYR Cxp 99 ? 55.017 42.706 25.685 0.00 0 326 C
|
||||
ATOM 4893 O O ? TYR Cxp 99 ? 55.173 41.873 26.595 0.00 0 326 C
|
||||
ATOM 4894 C CB ? TYR Cxp 99 ? 56.726 44.500 25.132 0.00 0 326 C
|
||||
ATOM 4895 C CG ? TYR Cxp 99 ? 57.096 44.639 26.581 0.00 0 326 C
|
||||
ATOM 4896 C CD1 ? TYR Cxp 99 ? 58.352 44.217 27.023 0.00 0 326 C
|
||||
ATOM 4898 C CE1 ? TYR Cxp 99 ? 58.734 44.320 28.340 0.00 0 326 C
|
||||
ATOM 4900 C CZ ? TYR Cxp 99 ? 57.871 44.894 29.252 0.00 0 326 C
|
||||
ATOM 4922 C CA ? GLU Cxp 102 ? 55.431 37.971 25.671 0.00 0 329 C
|
||||
ATOM 4923 C C ? GLU Cxp 102 ? 55.803 38.136 27.151 0.00 0 329 C
|
||||
ATOM 4924 O O ? GLU Cxp 102 ? 56.618 37.405 27.670 -1.21 0 329 C
|
||||
ATOM 4925 C CB ? GLU Cxp 102 ? 56.670 38.222 24.775 0.00 0 329 C
|
||||
ATOM 4927 C CD ? GLU Cxp 102 ? 57.337 38.298 22.330 0.00 0 329 C
|
||||
ATOM 4928 O OE1 ? GLU Cxp 102 ? 58.396 38.729 22.754 -0.95 0 329 C
|
||||
ATOM 4929 O OE2 ? GLU Cxp 102 ? 57.083 38.222 21.105 -0.54 0 329 C
|
||||
ATOM 4930 N N ? CYS Cxp 103 ? 55.219 39.097 27.827 0.00 0 330 C
|
||||
ATOM 4931 C CA ? CYS Cxp 103 ? 55.713 39.474 29.139 0.00 0 330 C
|
||||
ATOM 4934 C CB ? CYS Cxp 103 ? 55.275 40.917 29.497 0.00 0 330 C
|
||||
ATOM 5123 C CG ? LEU Cxp 127 ? 52.817 64.233 19.845 0.00 0 354 C
|
||||
ATOM 5124 C CD1 ? LEU Cxp 127 ? 52.412 62.880 19.111 0.00 0 354 C
|
||||
ATOM 5125 C CD2 ? LEU Cxp 127 ? 53.933 64.923 19.034 0.00 0 354 C
|
||||
ATOM 5162 C CA ? PHE Cxp 132 ? 50.825 67.783 15.847 0.00 0 359 C
|
||||
ATOM 5165 C CB ? PHE Cxp 132 ? 52.152 67.148 16.265 0.00 0 359 C
|
||||
ATOM 5166 C CG ? PHE Cxp 132 ? 53.337 68.020 16.020 0.00 0 359 C
|
||||
ATOM 5167 C CD1 ? PHE Cxp 132 ? 54.011 68.601 17.071 0.00 0 359 C
|
||||
ATOM 5168 C CD2 ? PHE Cxp 132 ? 53.775 68.288 14.726 0.00 0 359 C
|
||||
ATOM 5170 C CE2 ? PHE Cxp 132 ? 54.886 69.135 14.503 0.00 0 359 C
|
||||
ATOM 5172 N N ? ILE Cxp 133 ? 49.469 65.974 14.990 -3.28 0 360 C
|
||||
ATOM 5174 C C ? ILE Cxp 133 ? 49.338 63.641 14.747 0.00 0 360 C
|
||||
ATOM 5175 O O ? ILE Cxp 133 ? 50.155 63.679 13.849 -1.07 0 360 C
|
||||
ATOM 5180 N N ? HIS Cxp 134 ? 49.159 62.560 15.511 0.00 0 361 C
|
||||
ATOM 5181 C CA ? HIS Cxp 134 ? 49.968 61.358 15.298 0.00 0 361 C
|
||||
ATOM 5182 C C ? HIS Cxp 134 ? 49.471 60.618 14.035 0.00 0 361 C
|
||||
ATOM 5183 O O ? HIS Cxp 134 ? 50.262 60.307 13.190 0.00 0 361 C
|
||||
ATOM 5184 C CB ? HIS Cxp 134 ? 49.966 60.452 16.557 0.00 0 361 C
|
||||
ATOM 5185 C CG ? HIS Cxp 134 ? 50.894 59.284 16.450 0.00 0 361 C
|
||||
ATOM 5186 N ND1 ? HIS Cxp 134 ? 50.716 58.287 15.523 0.00 0 361 C
|
||||
ATOM 5187 C CD2 ? HIS Cxp 134 ? 52.038 58.986 17.107 0.00 0 361 C
|
||||
ATOM 5188 C CE1 ? HIS Cxp 134 ? 51.679 57.389 15.644 0.00 0 361 C
|
||||
ATOM 5189 N NE2 ? HIS Cxp 134 ? 52.489 57.786 16.607 0.00 0 361 C
|
||||
ATOM 5257 C CG ? LEU Cxp 143 ? 59.891 51.727 20.024 0.00 0 370 C
|
||||
ATOM 5258 C CD1 ? LEU Cxp 143 ? 60.801 52.853 19.522 0.00 0 370 C
|
||||
ATOM 5259 C CD2 ? LEU Cxp 143 ? 60.391 50.436 19.544 0.00 0 370 C
|
||||
ATOM 5324 C C ? VAL Cxp 152 ? 56.357 56.927 20.160 0.00 0 379 C
|
||||
ATOM 5325 O O ? VAL Cxp 152 ? 57.290 57.718 20.233 0.00 0 379 C
|
||||
ATOM 5327 C CG1 ? VAL Cxp 152 ? 53.471 58.150 20.325 0.00 0 379 C
|
||||
ATOM 5329 N N ? ALA Cxp 153 ? 56.140 56.186 19.075 0.00 0 380 C
|
||||
ATOM 5330 C CA ? ALA Cxp 153 ? 56.928 56.348 17.874 0.00 0 380 C
|
||||
ATOM 5331 C C ? ALA Cxp 153 ? 55.953 56.313 16.712 0.00 0 380 C
|
||||
ATOM 5332 O O ? ALA Cxp 153 ? 54.761 56.347 16.907 0.00 0 380 C
|
||||
ATOM 5333 C CB ? ALA Cxp 153 ? 57.973 55.244 17.737 0.00 0 380 C
|
||||
ATOM 5334 N N ? ASP Cxp 154 ? 56.468 56.249 15.507 0.00 0 381 C
|
||||
ATOM 5335 C CA ? ASP Cxp 154 ? 55.632 56.206 14.371 0.00 0 381 C
|
||||
ATOM 5336 C C ? ASP Cxp 154 ? 56.487 55.557 13.330 0.00 0 381 C
|
||||
ATOM 5337 O O ? ASP Cxp 154 ? 57.341 56.209 12.768 -1.07 0 381 C
|
||||
ATOM 5338 C CB ? ASP Cxp 154 ? 55.209 57.618 13.892 0.00 0 381 C
|
||||
ATOM 5339 C CG ? ASP Cxp 154 ? 54.313 57.558 12.649 0.00 0 381 C
|
||||
ATOM 5340 O OD1 ? ASP Cxp 154 ? 54.160 56.484 12.072 -0.40 0 381 C
|
||||
ATOM 5341 O OD2 ? ASP Cxp 154 ? 53.714 58.561 12.241 -0.14 0 381 C
|
||||
ATOM 5342 N N ? PHE Cxp 155 ? 56.245 54.285 13.069 0.00 0 382 C
|
||||
ATOM 5343 C CA ? PHE Cxp 155 ? 57.162 53.520 12.244 0.00 0 382 C
|
||||
ATOM 5344 C C ? PHE Cxp 155 ? 56.801 53.559 10.785 0.00 0 382 C
|
||||
ATOM 5345 O O ? PHE Cxp 155 ? 57.545 52.974 9.992 -1.07 0 382 C
|
||||
ATOM 5346 C CB ? PHE Cxp 155 ? 57.304 52.068 12.736 0.00 0 382 C
|
||||
ATOM 5347 C CG ? PHE Cxp 155 ? 57.674 51.960 14.215 0.00 0 382 C
|
||||
ATOM 5349 C CD2 ? PHE Cxp 155 ? 58.617 52.809 14.766 0.00 0 382 C
|
||||
ATOM 5350 C CE1 ? PHE Cxp 155 ? 57.402 50.907 16.384 0.00 0 382 C
|
||||
ATOM 5351 C CE2 ? PHE Cxp 155 ? 58.958 52.743 16.096 0.00 0 382 C
|
||||
ATOM 5352 C CZ ? PHE Cxp 155 ? 58.346 51.781 16.925 0.00 0 382 C
|
||||
ATOM 5353 N N ? GLY Cxp 156 ? 55.685 54.235 10.437 0.00 0 383 C
|
||||
ATOM 5354 C CA ? GLY Cxp 156 ? 55.185 54.289 9.070 0.00 0 383 C
|
||||
ATOM 5355 C C ? GLY Cxp 156 ? 54.848 52.901 8.598 0.00 0 383 C
|
||||
ATOM 5356 O O ? GLY Cxp 156 ? 55.311 52.499 7.563 -3.62 0 383 C
|
||||
ATOM 5376 C CG ? ARG Cxp 159 ? 54.486 53.056 3.655 0.00 0 386 C
|
||||
ATOM 4309 C CA ? LEU Cxp 21 ? 65.825 45.363 13.662 0.00 0 248 C
|
||||
ATOM 4310 C C ? LEU Cxp 21 ? 64.536 44.614 13.361 0.00 0 248 C
|
||||
ATOM 4312 C CB ? LEU Cxp 21 ? 65.502 46.661 14.421 0.00 0 248 C
|
||||
ATOM 4313 C CG ? LEU Cxp 21 ? 66.698 47.490 14.883 0.00 0 248 C
|
||||
ATOM 4314 C CD1 ? LEU Cxp 21 ? 66.372 48.924 15.249 0.00 0 248 C
|
||||
ATOM 4315 C CD2 ? LEU Cxp 21 ? 67.339 46.763 16.058 0.00 0 248 C
|
||||
ATOM 4316 N N ? GLY Cxp 22 ? 64.012 43.884 14.345 -6.98 0 249 C
|
||||
ATOM 4317 C CA ? GLY Cxp 22 ? 62.747 43.150 14.231 0.00 0 249 C
|
||||
ATOM 4334 C CD ? GLN Cxp 25 ? 58.140 44.074 14.570 0.00 0 252 C
|
||||
ATOM 4335 O OE1 ? GLN Cxp 25 ? 58.998 43.247 14.898 -4.69 0 252 C
|
||||
ATOM 4336 N NE2 ? GLN Cxp 25 ? 57.317 44.634 15.447 -3.70 0 252 C
|
||||
ATOM 4338 C CA ? TYR Cxp 26 ? 60.002 48.078 10.730 0.00 0 253 C
|
||||
ATOM 4340 O O ? TYR Cxp 26 ? 60.592 49.665 9.045 -3.21 0 253 C
|
||||
ATOM 4341 C CB ? TYR Cxp 26 ? 60.784 48.778 11.861 0.00 0 253 C
|
||||
ATOM 4342 C CG ? TYR Cxp 26 ? 60.508 48.226 13.248 0.00 0 253 C
|
||||
ATOM 4343 C CD1 ? TYR Cxp 26 ? 61.357 47.296 13.808 0.00 0 253 C
|
||||
ATOM 4344 C CD2 ? TYR Cxp 26 ? 59.377 48.648 13.987 0.00 0 253 C
|
||||
ATOM 4345 C CE1 ? TYR Cxp 26 ? 61.109 46.769 15.049 0.00 0 253 C
|
||||
ATOM 4346 C CE2 ? TYR Cxp 26 ? 59.090 48.126 15.277 0.00 0 253 C
|
||||
ATOM 4347 C CZ ? TYR Cxp 26 ? 59.971 47.200 15.806 0.00 0 253 C
|
||||
ATOM 4348 O OH ? TYR Cxp 26 ? 59.736 46.661 17.066 -2.14 0 253 C
|
||||
ATOM 4366 C CB ? VAL Cxp 29 ? 64.687 50.461 11.321 0.00 0 256 C
|
||||
ATOM 4367 C CG1 ? VAL Cxp 29 ? 65.278 51.087 12.687 0.00 0 256 C
|
||||
ATOM 4368 C CG2 ? VAL Cxp 29 ? 63.667 51.380 10.691 0.00 0 256 C
|
||||
ATOM 4474 C CA ? ALA Cxp 42 ? 68.331 52.880 15.676 0.00 0 269 C
|
||||
ATOM 4475 C C ? ALA Cxp 42 ? 68.451 53.776 14.487 0.00 0 269 C
|
||||
ATOM 4476 O O ? ALA Cxp 42 ? 68.283 54.987 14.590 0.00 0 269 C
|
||||
ATOM 4477 C CB ? ALA Cxp 42 ? 66.815 52.711 16.102 0.00 0 269 C
|
||||
ATOM 4478 N N ? VAL Cxp 43 ? 68.686 53.184 13.337 0.00 0 270 C
|
||||
ATOM 4479 C CA ? VAL Cxp 43 ? 68.854 53.984 12.121 0.00 0 270 C
|
||||
ATOM 4480 C C ? VAL Cxp 43 ? 67.829 53.673 11.024 0.00 0 270 C
|
||||
ATOM 4485 N N ? LYS Cxp 44 ? 66.985 54.643 10.662 0.00 0 271 C
|
||||
ATOM 4486 C CA ? LYS Cxp 44 ? 66.141 54.548 9.456 0.00 0 271 C
|
||||
ATOM 4489 C CB ? LYS Cxp 44 ? 64.904 55.444 9.602 0.00 0 271 C
|
||||
ATOM 4490 C CG ? LYS Cxp 44 ? 63.734 55.094 8.667 0.00 0 271 C
|
||||
ATOM 4491 C CD ? LYS Cxp 44 ? 62.464 55.863 8.961 0.00 0 271 C
|
||||
ATOM 4492 C CE ? LYS Cxp 44 ? 61.398 55.419 7.935 0.00 0 271 C
|
||||
ATOM 4493 N NZ ? LYS Cxp 44 ? 59.948 55.800 8.159 0.00 0 271 C
|
||||
ATOM 4496 C C ? THR Cxp 45 ? 66.704 54.505 4.719 0.00 0 272 C
|
||||
ATOM 4497 O O ? THR Cxp 45 ? 65.625 53.907 4.664 -2.55 0 272 C
|
||||
ATOM 4505 C CB ? LEU Cxp 46 ? 65.738 56.785 2.407 0.00 0 273 C
|
||||
ATOM 4507 C CD1 ? LEU Cxp 46 ? 63.457 56.650 1.429 0.00 0 273 C
|
||||
ATOM 4530 C CA ? GLU Cxp 52 ? 59.974 58.619 -0.607 0.00 0 279 C
|
||||
ATOM 4531 C C ? GLU Cxp 52 ? 60.889 59.675 0.070 0.00 0 279 C
|
||||
ATOM 4532 O O ? GLU Cxp 52 ? 60.629 60.058 1.220 -1.07 0 279 C
|
||||
ATOM 4533 C CB ? GLU Cxp 52 ? 60.007 57.267 0.138 0.00 0 279 C
|
||||
ATOM 4551 C CA ? GLU Cxp 55 ? 58.464 62.142 2.868 0.00 0 282 C
|
||||
ATOM 4552 C C ? GLU Cxp 55 ? 59.443 61.938 4.041 0.00 0 282 C
|
||||
ATOM 4553 O O ? GLU Cxp 55 ? 59.074 62.152 5.210 -0.40 0 282 C
|
||||
ATOM 4554 C CB ? GLU Cxp 55 ? 57.705 60.840 2.562 0.00 0 282 C
|
||||
ATOM 4555 C CG ? GLU Cxp 55 ? 56.341 60.714 3.218 0.00 0 282 C
|
||||
ATOM 4556 C CD ? GLU Cxp 55 ? 55.575 62.043 3.296 0.00 0 282 C
|
||||
ATOM 4557 O OE1 ? GLU Cxp 55 ? 54.968 62.335 4.361 0.00 0 282 C
|
||||
ATOM 4559 N N ? PHE Cxp 56 ? 60.677 61.556 3.690 0.00 0 283 C
|
||||
ATOM 4560 C CA ? PHE Cxp 56 ? 61.727 61.139 4.612 0.00 0 283 C
|
||||
ATOM 4563 C CB ? PHE Cxp 56 ? 62.803 60.407 3.827 0.00 0 283 C
|
||||
ATOM 4564 C CG ? PHE Cxp 56 ? 63.829 59.722 4.676 0.00 0 283 C
|
||||
ATOM 4565 C CD1 ? PHE Cxp 56 ? 63.711 58.360 4.956 0.00 0 283 C
|
||||
ATOM 4567 C CE1 ? PHE Cxp 56 ? 64.665 57.708 5.732 0.00 0 283 C
|
||||
ATOM 4581 O O ? LYS Cxp 58 ? 59.033 65.956 8.597 0.00 0 285 C
|
||||
ATOM 4583 N N ? GLU Cxp 59 ? 59.754 64.014 7.713 -1.09 0 286 C
|
||||
ATOM 4584 C CA ? GLU Cxp 59 ? 59.760 63.312 8.983 0.00 0 286 C
|
||||
ATOM 4585 C C ? GLU Cxp 59 ? 61.012 63.718 9.801 0.00 0 286 C
|
||||
ATOM 4586 O O ? GLU Cxp 59 ? 60.890 64.044 10.965 0.00 0 286 C
|
||||
ATOM 4587 C CB ? GLU Cxp 59 ? 59.660 61.810 8.754 0.00 0 286 C
|
||||
ATOM 4588 C CG ? GLU Cxp 59 ? 59.879 61.018 10.009 0.00 0 286 C
|
||||
ATOM 4589 C CD ? GLU Cxp 59 ? 60.082 59.588 9.746 0.00 0 286 C
|
||||
ATOM 4590 O OE1 ? GLU Cxp 59 ? 60.143 59.180 8.562 0.00 0 286 C
|
||||
ATOM 4591 O OE2 ? GLU Cxp 59 ? 60.141 58.852 10.727 -1.07 0 286 C
|
||||
ATOM 4604 C C ? VAL Cxp 62 ? 59.706 66.684 13.538 0.00 0 289 C
|
||||
ATOM 4606 C CB ? VAL Cxp 62 ? 57.804 66.325 11.964 0.00 0 289 C
|
||||
ATOM 4607 C CG1 ? VAL Cxp 62 ? 56.843 66.361 13.193 0.00 0 289 C
|
||||
ATOM 4608 C CG2 ? VAL Cxp 62 ? 57.086 66.805 10.673 0.00 0 289 C
|
||||
ATOM 4609 N N ? MET Cxp 63 ? 60.563 65.681 13.428 0.00 0 290 C
|
||||
ATOM 4613 C CB ? MET Cxp 63 ? 61.901 63.786 14.236 0.00 0 290 C
|
||||
ATOM 4614 C CG ? MET Cxp 63 ? 60.952 62.629 14.053 0.00 0 290 C
|
||||
ATOM 4615 S SD ? MET Cxp 63 ? 61.859 61.128 13.673 0.00 0 290 C
|
||||
ATOM 4616 C CE ? MET Cxp 63 ? 61.818 61.384 11.995 0.00 0 290 C
|
||||
ATOM 4639 C CB ? ILE Cxp 66 ? 58.639 66.208 18.869 0.00 0 293 C
|
||||
ATOM 4640 C CG1 ? ILE Cxp 66 ? 58.912 65.273 17.720 0.00 0 293 C
|
||||
ATOM 4642 C CD1 ? ILE Cxp 66 ? 57.564 64.926 16.918 0.00 0 293 C
|
||||
ATOM 4674 C CA ? LEU Cxp 71 ? 58.528 60.228 22.492 0.00 0 298 C
|
||||
ATOM 4675 C C ? LEU Cxp 71 ? 59.922 59.793 22.078 0.00 0 298 C
|
||||
ATOM 4677 C CB ? LEU Cxp 71 ? 58.112 61.528 21.791 0.00 0 298 C
|
||||
ATOM 4678 C CG ? LEU Cxp 71 ? 56.577 61.697 21.797 0.00 0 298 C
|
||||
ATOM 4680 C CD2 ? LEU Cxp 71 ? 55.947 61.004 20.573 0.00 0 298 C
|
||||
ATOM 4681 N N ? VAL Cxp 72 ? 60.009 58.893 21.100 0.00 0 299 C
|
||||
ATOM 4683 C C ? VAL Cxp 72 ? 62.252 59.595 20.196 0.00 0 299 C
|
||||
ATOM 4684 O O ? VAL Cxp 72 ? 61.863 60.416 19.355 -5.36 0 299 C
|
||||
ATOM 4685 C CB ? VAL Cxp 72 ? 61.147 57.312 19.529 0.00 0 299 C
|
||||
ATOM 4686 C CG1 ? VAL Cxp 72 ? 60.468 57.953 18.334 0.00 0 299 C
|
||||
ATOM 4687 C CG2 ? VAL Cxp 72 ? 62.471 56.742 19.102 0.00 0 299 C
|
||||
ATOM 4786 C C ? ILE Cxp 86 ? 67.749 58.236 11.640 0.00 0 313 C
|
||||
ATOM 4787 O O ? ILE Cxp 86 ? 67.579 57.024 11.540 0.00 0 313 C
|
||||
ATOM 4788 C CB ? ILE Cxp 86 ? 65.914 59.237 10.348 0.00 0 313 C
|
||||
ATOM 4790 C CG2 ? ILE Cxp 86 ? 65.267 59.719 11.684 0.00 0 313 C
|
||||
ATOM 4800 N N ? THR Cxp 88 ? 67.723 57.504 15.818 0.00 0 315 C
|
||||
ATOM 4804 C CB ? THR Cxp 88 ? 65.559 57.569 17.104 0.00 0 315 C
|
||||
ATOM 4805 O OG1 ? THR Cxp 88 ? 65.292 56.165 17.041 0.00 0 315 C
|
||||
ATOM 4806 C CG2 ? THR Cxp 88 ? 64.918 58.267 15.934 0.00 0 315 C
|
||||
ATOM 4809 C C ? GLU Cxp 89 ? 67.131 54.920 20.346 0.00 0 316 C
|
||||
ATOM 4810 O O ? GLU Cxp 89 ? 66.226 54.641 19.567 0.00 0 316 C
|
||||
ATOM 4817 C CA ? PHE Cxp 90 ? 67.450 52.586 20.886 0.00 0 317 C
|
||||
ATOM 4818 C C ? PHE Cxp 90 ? 66.693 52.151 22.165 0.00 0 317 C
|
||||
ATOM 4820 C CB ? PHE Cxp 90 ? 68.719 51.763 20.661 0.00 0 317 C
|
||||
ATOM 4821 C CG ? PHE Cxp 90 ? 68.478 50.271 20.568 0.00 0 317 C
|
||||
ATOM 4822 C CD1 ? PHE Cxp 90 ? 68.357 49.652 19.357 0.00 0 317 C
|
||||
ATOM 4824 C CE1 ? PHE Cxp 90 ? 68.165 48.287 19.279 0.00 0 317 C
|
||||
ATOM 4825 C CE2 ? PHE Cxp 90 ? 68.168 48.136 21.643 0.00 0 317 C
|
||||
ATOM 4826 C CZ ? PHE Cxp 90 ? 68.029 47.527 20.408 0.00 0 317 C
|
||||
ATOM 4827 N N ? MET Cxp 91 ? 65.600 51.395 21.975 0.00 0 318 C
|
||||
ATOM 4828 C CA ? MET Cxp 91 ? 64.687 51.072 23.087 0.00 0 318 C
|
||||
ATOM 4829 C C ? MET Cxp 91 ? 64.825 49.585 23.311 0.00 0 318 C
|
||||
ATOM 4830 O O ? MET Cxp 91 ? 64.488 48.834 22.426 0.00 0 318 C
|
||||
ATOM 4831 C CB ? MET Cxp 91 ? 63.247 51.450 22.726 0.00 0 318 C
|
||||
ATOM 4832 C CG ? MET Cxp 91 ? 63.058 52.948 22.613 0.00 0 318 C
|
||||
ATOM 4837 C C ? THR Cxp 92 ? 64.810 46.729 24.429 0.00 0 319 C
|
||||
ATOM 4838 O O ? THR Cxp 92 ? 65.169 45.657 23.913 0.00 0 319 C
|
||||
ATOM 4843 C CA ? TYR Cxp 93 ? 62.583 45.894 24.767 0.00 0 320 C
|
||||
ATOM 4844 C C ? TYR Cxp 93 ? 61.651 45.780 23.573 0.00 0 320 C
|
||||
ATOM 4845 O O ? TYR Cxp 93 ? 60.677 45.046 23.639 -4.02 0 320 C
|
||||
ATOM 4846 C CB ? TYR Cxp 93 ? 61.822 45.842 26.120 0.00 0 320 C
|
||||
ATOM 4847 C CG ? TYR Cxp 93 ? 62.708 45.399 27.251 0.00 0 320 C
|
||||
ATOM 4849 C CD2 ? TYR Cxp 93 ? 62.771 44.062 27.626 0.00 0 320 C
|
||||
ATOM 4851 C CE2 ? TYR Cxp 93 ? 63.623 43.640 28.650 0.00 0 320 C
|
||||
ATOM 4854 N N ? GLY Cxp 94 ? 61.926 46.515 22.505 -1.09 0 321 C
|
||||
ATOM 4855 C CA ? GLY Cxp 94 ? 61.148 46.414 21.286 0.00 0 321 C
|
||||
ATOM 4856 C C ? GLY Cxp 94 ? 59.784 47.035 21.343 0.00 0 321 C
|
||||
ATOM 4858 N N ? ASN Cxp 95 ? 58.837 46.563 20.532 -2.19 0 322 C
|
||||
ATOM 4861 O O ? ASN Cxp 95 ? 56.724 45.626 22.065 0.00 0 322 C
|
||||
ATOM 4863 C CG ? ASN Cxp 95 ? 56.450 45.916 18.682 0.00 0 322 C
|
||||
ATOM 4864 O OD1 ? ASN Cxp 95 ? 57.197 45.110 18.091 -1.07 0 322 C
|
||||
ATOM 4883 C CA ? ASP Cxp 98 ? 54.984 42.071 21.363 0.00 0 325 C
|
||||
ATOM 4884 C C ? ASP Cxp 98 ? 55.443 42.017 22.812 0.00 0 325 C
|
||||
ATOM 4885 O O ? ASP Cxp 98 ? 55.375 40.977 23.443 0.00 0 325 C
|
||||
ATOM 4886 C CB ? ASP Cxp 98 ? 56.203 41.956 20.500 0.00 0 325 C
|
||||
ATOM 4887 C CG ? ASP Cxp 98 ? 55.860 41.893 19.062 0.00 0 325 C
|
||||
ATOM 4889 O OD2 ? ASP Cxp 98 ? 56.786 42.248 18.314 -0.81 0 325 C
|
||||
ATOM 4890 N N ? TYR Cxp 99 ? 55.885 43.129 23.365 -2.19 0 326 C
|
||||
ATOM 4891 C CA ? TYR Cxp 99 ? 56.204 43.137 24.766 0.00 0 326 C
|
||||
ATOM 4892 C C ? TYR Cxp 99 ? 55.017 42.706 25.685 0.00 0 326 C
|
||||
ATOM 4893 O O ? TYR Cxp 99 ? 55.173 41.873 26.595 0.00 0 326 C
|
||||
ATOM 4894 C CB ? TYR Cxp 99 ? 56.726 44.500 25.132 0.00 0 326 C
|
||||
ATOM 4895 C CG ? TYR Cxp 99 ? 57.096 44.639 26.581 0.00 0 326 C
|
||||
ATOM 4896 C CD1 ? TYR Cxp 99 ? 58.352 44.217 27.023 0.00 0 326 C
|
||||
ATOM 4898 C CE1 ? TYR Cxp 99 ? 58.734 44.320 28.340 0.00 0 326 C
|
||||
ATOM 4900 C CZ ? TYR Cxp 99 ? 57.871 44.894 29.252 0.00 0 326 C
|
||||
ATOM 4922 C CA ? GLU Cxp 102 ? 55.431 37.971 25.671 0.00 0 329 C
|
||||
ATOM 4923 C C ? GLU Cxp 102 ? 55.803 38.136 27.151 0.00 0 329 C
|
||||
ATOM 4924 O O ? GLU Cxp 102 ? 56.618 37.405 27.670 -1.21 0 329 C
|
||||
ATOM 4925 C CB ? GLU Cxp 102 ? 56.670 38.222 24.775 0.00 0 329 C
|
||||
ATOM 4927 C CD ? GLU Cxp 102 ? 57.337 38.298 22.330 0.00 0 329 C
|
||||
ATOM 4928 O OE1 ? GLU Cxp 102 ? 58.396 38.729 22.754 -0.95 0 329 C
|
||||
ATOM 4929 O OE2 ? GLU Cxp 102 ? 57.083 38.222 21.105 -0.54 0 329 C
|
||||
ATOM 4930 N N ? CYS Cxp 103 ? 55.219 39.097 27.827 0.00 0 330 C
|
||||
ATOM 4931 C CA ? CYS Cxp 103 ? 55.713 39.474 29.139 0.00 0 330 C
|
||||
ATOM 4934 C CB ? CYS Cxp 103 ? 55.275 40.917 29.497 0.00 0 330 C
|
||||
ATOM 5123 C CG ? LEU Cxp 127 ? 52.817 64.233 19.845 0.00 0 354 C
|
||||
ATOM 5124 C CD1 ? LEU Cxp 127 ? 52.412 62.880 19.111 0.00 0 354 C
|
||||
ATOM 5125 C CD2 ? LEU Cxp 127 ? 53.933 64.923 19.034 0.00 0 354 C
|
||||
ATOM 5162 C CA ? PHE Cxp 132 ? 50.825 67.783 15.847 0.00 0 359 C
|
||||
ATOM 5165 C CB ? PHE Cxp 132 ? 52.152 67.148 16.265 0.00 0 359 C
|
||||
ATOM 5166 C CG ? PHE Cxp 132 ? 53.337 68.020 16.020 0.00 0 359 C
|
||||
ATOM 5167 C CD1 ? PHE Cxp 132 ? 54.011 68.601 17.071 0.00 0 359 C
|
||||
ATOM 5168 C CD2 ? PHE Cxp 132 ? 53.775 68.288 14.726 0.00 0 359 C
|
||||
ATOM 5170 C CE2 ? PHE Cxp 132 ? 54.886 69.135 14.503 0.00 0 359 C
|
||||
ATOM 5172 N N ? ILE Cxp 133 ? 49.469 65.974 14.990 -3.28 0 360 C
|
||||
ATOM 5174 C C ? ILE Cxp 133 ? 49.338 63.641 14.747 0.00 0 360 C
|
||||
ATOM 5175 O O ? ILE Cxp 133 ? 50.155 63.679 13.849 -1.07 0 360 C
|
||||
ATOM 5180 N N ? HIS Cxp 134 ? 49.159 62.560 15.511 0.00 0 361 C
|
||||
ATOM 5181 C CA ? HIS Cxp 134 ? 49.968 61.358 15.298 0.00 0 361 C
|
||||
ATOM 5182 C C ? HIS Cxp 134 ? 49.471 60.618 14.035 0.00 0 361 C
|
||||
ATOM 5183 O O ? HIS Cxp 134 ? 50.262 60.307 13.190 0.00 0 361 C
|
||||
ATOM 5184 C CB ? HIS Cxp 134 ? 49.966 60.452 16.557 0.00 0 361 C
|
||||
ATOM 5185 C CG ? HIS Cxp 134 ? 50.894 59.284 16.450 0.00 0 361 C
|
||||
ATOM 5186 N ND1 ? HIS Cxp 134 ? 50.716 58.287 15.523 0.00 0 361 C
|
||||
ATOM 5187 C CD2 ? HIS Cxp 134 ? 52.038 58.986 17.107 0.00 0 361 C
|
||||
ATOM 5188 C CE1 ? HIS Cxp 134 ? 51.679 57.389 15.644 0.00 0 361 C
|
||||
ATOM 5189 N NE2 ? HIS Cxp 134 ? 52.489 57.786 16.607 0.00 0 361 C
|
||||
ATOM 5257 C CG ? LEU Cxp 143 ? 59.891 51.727 20.024 0.00 0 370 C
|
||||
ATOM 5258 C CD1 ? LEU Cxp 143 ? 60.801 52.853 19.522 0.00 0 370 C
|
||||
ATOM 5259 C CD2 ? LEU Cxp 143 ? 60.391 50.436 19.544 0.00 0 370 C
|
||||
ATOM 5324 C C ? VAL Cxp 152 ? 56.357 56.927 20.160 0.00 0 379 C
|
||||
ATOM 5325 O O ? VAL Cxp 152 ? 57.290 57.718 20.233 0.00 0 379 C
|
||||
ATOM 5327 C CG1 ? VAL Cxp 152 ? 53.471 58.150 20.325 0.00 0 379 C
|
||||
ATOM 5329 N N ? ALA Cxp 153 ? 56.140 56.186 19.075 0.00 0 380 C
|
||||
ATOM 5330 C CA ? ALA Cxp 153 ? 56.928 56.348 17.874 0.00 0 380 C
|
||||
ATOM 5331 C C ? ALA Cxp 153 ? 55.953 56.313 16.712 0.00 0 380 C
|
||||
ATOM 5332 O O ? ALA Cxp 153 ? 54.761 56.347 16.907 0.00 0 380 C
|
||||
ATOM 5333 C CB ? ALA Cxp 153 ? 57.973 55.244 17.737 0.00 0 380 C
|
||||
ATOM 5334 N N ? ASP Cxp 154 ? 56.468 56.249 15.507 0.00 0 381 C
|
||||
ATOM 5335 C CA ? ASP Cxp 154 ? 55.632 56.206 14.371 0.00 0 381 C
|
||||
ATOM 5336 C C ? ASP Cxp 154 ? 56.487 55.557 13.330 0.00 0 381 C
|
||||
ATOM 5337 O O ? ASP Cxp 154 ? 57.341 56.209 12.768 -1.07 0 381 C
|
||||
ATOM 5338 C CB ? ASP Cxp 154 ? 55.209 57.618 13.892 0.00 0 381 C
|
||||
ATOM 5339 C CG ? ASP Cxp 154 ? 54.313 57.558 12.649 0.00 0 381 C
|
||||
ATOM 5340 O OD1 ? ASP Cxp 154 ? 54.160 56.484 12.072 -0.40 0 381 C
|
||||
ATOM 5341 O OD2 ? ASP Cxp 154 ? 53.714 58.561 12.241 -0.14 0 381 C
|
||||
ATOM 5342 N N ? PHE Cxp 155 ? 56.245 54.285 13.069 0.00 0 382 C
|
||||
ATOM 5343 C CA ? PHE Cxp 155 ? 57.162 53.520 12.244 0.00 0 382 C
|
||||
ATOM 5344 C C ? PHE Cxp 155 ? 56.801 53.559 10.785 0.00 0 382 C
|
||||
ATOM 5345 O O ? PHE Cxp 155 ? 57.545 52.974 9.992 -1.07 0 382 C
|
||||
ATOM 5346 C CB ? PHE Cxp 155 ? 57.304 52.068 12.736 0.00 0 382 C
|
||||
ATOM 5347 C CG ? PHE Cxp 155 ? 57.674 51.960 14.215 0.00 0 382 C
|
||||
ATOM 5349 C CD2 ? PHE Cxp 155 ? 58.617 52.809 14.766 0.00 0 382 C
|
||||
ATOM 5350 C CE1 ? PHE Cxp 155 ? 57.402 50.907 16.384 0.00 0 382 C
|
||||
ATOM 5351 C CE2 ? PHE Cxp 155 ? 58.958 52.743 16.096 0.00 0 382 C
|
||||
ATOM 5352 C CZ ? PHE Cxp 155 ? 58.346 51.781 16.925 0.00 0 382 C
|
||||
ATOM 5353 N N ? GLY Cxp 156 ? 55.685 54.235 10.437 0.00 0 383 C
|
||||
ATOM 5354 C CA ? GLY Cxp 156 ? 55.185 54.289 9.070 0.00 0 383 C
|
||||
ATOM 5355 C C ? GLY Cxp 156 ? 54.848 52.901 8.598 0.00 0 383 C
|
||||
ATOM 5356 O O ? GLY Cxp 156 ? 55.311 52.499 7.563 -3.62 0 383 C
|
||||
ATOM 5376 C CG ? ARG Cxp 159 ? 54.486 53.056 3.655 0.00 0 386 C
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 20:
|
||||
6 - Hydrophobicity Score : 11.7857
|
||||
7 - Polarity Score : 10
|
||||
8 - Amino Acid based volume Score : 4.4286
|
||||
9 - Pocket volume (Monte Carlo) : 424.2686
|
||||
9 - Pocket volume (Monte Carlo) : 419.1526
|
||||
10 -Pocket volume (convex hull) : 54.0760
|
||||
11 - Charge Score : 0
|
||||
12 - Local hydrophobic density Score : 7.4000
|
||||
@@ -39,28 +39,28 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 1578 C CA ? SER Axp 211 ? 28.519 31.580 13.536 0.00 0 438 A
|
||||
ATOM 729 N NH2 ? ARG Axp 101 ? 29.744 27.079 13.417 -2.19 0 328 A
|
||||
ATOM 1582 O OG ? SER Axp 211 ? 29.670 30.318 15.225 0.00 0 438 A
|
||||
ATOM 1531 O OE1 ? GLU Axp 204 ? 23.660 27.646 12.432 -1.07 0 431 A
|
||||
ATOM 1572 O O ? MET Axp 210 ? 27.392 30.484 11.286 -2.14 0 437 A
|
||||
ATOM 1589 C CD ? PRO Axp 212 ? 25.953 32.242 14.398 0.00 0 439 A
|
||||
ATOM 1321 C CH2 ? TRP Axp 178 ? 24.064 30.155 16.482 0.00 0 405 A
|
||||
ATOM 1192 C CE ? MET Axp 161 ? 25.473 22.258 20.061 0.00 0 388 A
|
||||
ATOM 1193 N N ? THR Axp 162 ? 27.717 23.001 24.543 -3.28 0 389 A
|
||||
ATOM 1196 O O ? THR Axp 162 ? 30.318 24.681 23.653 -0.54 0 389 A
|
||||
ATOM 1190 C CG ? MET Axp 161 ? 25.693 23.794 22.437 0.00 0 388 A
|
||||
ATOM 1191 S SD ? MET Axp 161 ? 25.108 23.914 20.726 0.00 0 388 A
|
||||
ATOM 1214 O OG1 ? THR Axp 165 ? 26.599 27.686 20.315 0.00 0 392 A
|
||||
ATOM 1197 C CB ? THR Axp 162 ? 30.043 22.165 24.907 0.00 0 389 A
|
||||
ATOM 728 N NH1 ? ARG Axp 101 ? 30.641 25.059 14.054 0.00 0 328 A
|
||||
ATOM 1319 C CZ2 ? TRP Axp 178 ? 23.312 29.778 15.389 0.00 0 405 A
|
||||
ATOM 690 C CD2 ? LEU Axp 97 ? 26.615 24.712 14.130 0.00 0 324 A
|
||||
ATOM 1039 N NH1 ? ARG Axp 140 ? 22.161 27.219 17.402 -2.19 0 367 A
|
||||
ATOM 1036 C CD ? ARG Axp 140 ? 22.384 24.464 18.025 0.00 0 367 A
|
||||
ATOM 697 O OD1 ? ASP Axp 98 ? 29.383 20.437 13.443 0.00 0 325 A
|
||||
ATOM 136 N NE2 ? GLN Axp 25 ? 26.655 17.754 17.106 -1.51 0 252 A
|
||||
ATOM 1034 C CB ? ARG Axp 140 ? 22.854 23.046 15.953 0.00 0 367 A
|
||||
ATOM 674 N ND2 ? ASN Axp 95 ? 25.138 19.957 12.965 -2.19 0 322 A
|
||||
ATOM 1198 O OG1 ? THR Axp 162 ? 29.373 20.894 24.874 -2.55 0 389 A
|
||||
ATOM 1578 C CA ? SER Axp 211 ? 28.519 31.580 13.536 0.00 0 438 A
|
||||
ATOM 729 N NH2 ? ARG Axp 101 ? 29.744 27.079 13.417 -2.19 0 328 A
|
||||
ATOM 1582 O OG ? SER Axp 211 ? 29.670 30.318 15.225 0.00 0 438 A
|
||||
ATOM 1531 O OE1 ? GLU Axp 204 ? 23.660 27.646 12.432 -1.07 0 431 A
|
||||
ATOM 1572 O O ? MET Axp 210 ? 27.392 30.484 11.286 -2.14 0 437 A
|
||||
ATOM 1589 C CD ? PRO Axp 212 ? 25.953 32.242 14.398 0.00 0 439 A
|
||||
ATOM 1321 C CH2 ? TRP Axp 178 ? 24.064 30.155 16.482 0.00 0 405 A
|
||||
ATOM 1192 C CE ? MET Axp 161 ? 25.473 22.258 20.061 0.00 0 388 A
|
||||
ATOM 1193 N N ? THR Axp 162 ? 27.717 23.001 24.543 -3.28 0 389 A
|
||||
ATOM 1196 O O ? THR Axp 162 ? 30.318 24.681 23.653 -0.54 0 389 A
|
||||
ATOM 1190 C CG ? MET Axp 161 ? 25.693 23.794 22.437 0.00 0 388 A
|
||||
ATOM 1191 S SD ? MET Axp 161 ? 25.108 23.914 20.726 0.00 0 388 A
|
||||
ATOM 1214 O OG1 ? THR Axp 165 ? 26.599 27.686 20.315 0.00 0 392 A
|
||||
ATOM 1197 C CB ? THR Axp 162 ? 30.043 22.165 24.907 0.00 0 389 A
|
||||
ATOM 728 N NH1 ? ARG Axp 101 ? 30.641 25.059 14.054 0.00 0 328 A
|
||||
ATOM 1319 C CZ2 ? TRP Axp 178 ? 23.312 29.778 15.389 0.00 0 405 A
|
||||
ATOM 690 C CD2 ? LEU Axp 97 ? 26.615 24.712 14.130 0.00 0 324 A
|
||||
ATOM 1039 N NH1 ? ARG Axp 140 ? 22.161 27.219 17.402 -2.19 0 367 A
|
||||
ATOM 1036 C CD ? ARG Axp 140 ? 22.384 24.464 18.025 0.00 0 367 A
|
||||
ATOM 697 O OD1 ? ASP Axp 98 ? 29.383 20.437 13.443 0.00 0 325 A
|
||||
ATOM 136 N NE2 ? GLN Axp 25 ? 26.655 17.754 17.106 -1.51 0 252 A
|
||||
ATOM 1034 C CB ? ARG Axp 140 ? 22.854 23.046 15.953 0.00 0 367 A
|
||||
ATOM 674 N ND2 ? ASN Axp 95 ? 25.138 19.957 12.965 -2.19 0 322 A
|
||||
ATOM 1198 O OG1 ? THR Axp 162 ? 29.373 20.894 24.874 -2.55 0 389 A
|
||||
#
|
||||
|
||||
@@ -17,52 +17,52 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 136 N NE2 ? GLN Axp 25 ? 26.655 17.754 17.106 -1.51 0 252 A
|
||||
ATOM 672 C CG ? ASN Axp 95 ? 24.977 18.738 13.399 0.00 0 322 A
|
||||
ATOM 673 O OD1 ? ASN Axp 95 ? 25.880 18.114 13.960 -2.14 0 322 A
|
||||
ATOM 674 N ND2 ? ASN Axp 95 ? 25.138 19.957 12.965 -2.19 0 322 A
|
||||
ATOM 687 C CB ? LEU Axp 97 ? 25.726 23.134 12.371 0.00 0 324 A
|
||||
ATOM 688 C CG ? LEU Axp 97 ? 26.663 24.325 12.667 0.00 0 324 A
|
||||
ATOM 689 C CD1 ? LEU Axp 97 ? 26.439 25.580 11.708 0.00 0 324 A
|
||||
ATOM 690 C CD2 ? LEU Axp 97 ? 26.615 24.712 14.130 0.00 0 324 A
|
||||
ATOM 696 C CG ? ASP Axp 98 ? 28.941 19.302 13.063 0.00 0 325 A
|
||||
ATOM 697 O OD1 ? ASP Axp 98 ? 29.383 20.437 13.443 0.00 0 325 A
|
||||
ATOM 698 O OD2 ? ASP Axp 98 ? 28.581 18.421 13.874 0.00 0 325 A
|
||||
ATOM 727 C CZ ? ARG Axp 101 ? 30.221 25.880 13.100 0.00 0 328 A
|
||||
ATOM 728 N NH1 ? ARG Axp 101 ? 30.641 25.059 14.054 0.00 0 328 A
|
||||
ATOM 729 N NH2 ? ARG Axp 101 ? 29.744 27.079 13.417 -2.19 0 328 A
|
||||
ATOM 1031 C CA ? ARG Axp 140 ? 22.308 22.460 14.667 0.00 0 367 A
|
||||
ATOM 1034 C CB ? ARG Axp 140 ? 22.854 23.046 15.953 0.00 0 367 A
|
||||
ATOM 1035 C CG ? ARG Axp 140 ? 21.827 23.818 16.751 0.00 0 367 A
|
||||
ATOM 1036 C CD ? ARG Axp 140 ? 22.384 24.464 18.025 0.00 0 367 A
|
||||
ATOM 1037 N NE ? ARG Axp 140 ? 21.358 25.394 18.567 0.00 0 367 A
|
||||
ATOM 1038 C CZ ? ARG Axp 140 ? 21.285 26.690 18.242 0.00 0 367 A
|
||||
ATOM 1039 N NH1 ? ARG Axp 140 ? 22.161 27.219 17.402 -2.19 0 367 A
|
||||
ATOM 1190 C CG ? MET Axp 161 ? 25.693 23.794 22.437 0.00 0 388 A
|
||||
ATOM 1191 S SD ? MET Axp 161 ? 25.108 23.914 20.726 0.00 0 388 A
|
||||
ATOM 1192 C CE ? MET Axp 161 ? 25.473 22.258 20.061 0.00 0 388 A
|
||||
ATOM 1193 N N ? THR Axp 162 ? 27.717 23.001 24.543 -3.28 0 389 A
|
||||
ATOM 1194 C CA ? THR Axp 162 ? 28.998 23.321 25.160 0.00 0 389 A
|
||||
ATOM 1195 C C ? THR Axp 162 ? 29.554 24.650 24.630 0.00 0 389 A
|
||||
ATOM 1196 O O ? THR Axp 162 ? 30.318 24.681 23.653 -0.54 0 389 A
|
||||
ATOM 1197 C CB ? THR Axp 162 ? 30.043 22.165 24.907 0.00 0 389 A
|
||||
ATOM 1198 O OG1 ? THR Axp 162 ? 29.373 20.894 24.874 -2.55 0 389 A
|
||||
ATOM 1213 C CB ? THR Axp 165 ? 25.536 27.768 21.247 0.00 0 392 A
|
||||
ATOM 1214 O OG1 ? THR Axp 165 ? 26.599 27.686 20.315 0.00 0 392 A
|
||||
ATOM 1215 C CG2 ? THR Axp 165 ? 24.206 27.716 20.463 0.00 0 392 A
|
||||
ATOM 1319 C CZ2 ? TRP Axp 178 ? 23.312 29.778 15.389 0.00 0 405 A
|
||||
ATOM 1320 C CZ3 ? TRP Axp 178 ? 23.462 30.785 17.625 0.00 0 405 A
|
||||
ATOM 1321 C CH2 ? TRP Axp 178 ? 24.064 30.155 16.482 0.00 0 405 A
|
||||
ATOM 1530 C CD ? GLU Axp 204 ? 22.806 28.372 11.796 0.00 0 431 A
|
||||
ATOM 1531 O OE1 ? GLU Axp 204 ? 23.660 27.646 12.432 -1.07 0 431 A
|
||||
ATOM 1571 C C ? MET Axp 210 ? 28.632 30.657 11.307 0.00 0 437 A
|
||||
ATOM 1572 O O ? MET Axp 210 ? 27.392 30.484 11.286 -2.14 0 437 A
|
||||
ATOM 1577 N N ? SER Axp 211 ? 29.277 31.096 12.377 -1.51 0 438 A
|
||||
ATOM 1578 C CA ? SER Axp 211 ? 28.519 31.580 13.536 0.00 0 438 A
|
||||
ATOM 1581 C CB ? SER Axp 211 ? 29.357 31.629 14.802 0.00 0 438 A
|
||||
ATOM 1582 O OG ? SER Axp 211 ? 29.670 30.318 15.225 0.00 0 438 A
|
||||
ATOM 1588 C CG ? PRO Axp 212 ? 24.603 32.718 14.282 0.00 0 439 A
|
||||
ATOM 1589 C CD ? PRO Axp 212 ? 25.953 32.242 14.398 0.00 0 439 A
|
||||
ATOM 8085 C CB ? GLU Dxp 239 ? 33.579 23.349 24.058 0.00 0 466 D
|
||||
ATOM 8118 O OE2 ? GLU Dxp 243 ? 31.919 19.332 25.048 0.00 0 470 D
|
||||
ATOM 136 N NE2 ? GLN Axp 25 ? 26.655 17.754 17.106 -1.51 0 252 A
|
||||
ATOM 672 C CG ? ASN Axp 95 ? 24.977 18.738 13.399 0.00 0 322 A
|
||||
ATOM 673 O OD1 ? ASN Axp 95 ? 25.880 18.114 13.960 -2.14 0 322 A
|
||||
ATOM 674 N ND2 ? ASN Axp 95 ? 25.138 19.957 12.965 -2.19 0 322 A
|
||||
ATOM 687 C CB ? LEU Axp 97 ? 25.726 23.134 12.371 0.00 0 324 A
|
||||
ATOM 688 C CG ? LEU Axp 97 ? 26.663 24.325 12.667 0.00 0 324 A
|
||||
ATOM 689 C CD1 ? LEU Axp 97 ? 26.439 25.580 11.708 0.00 0 324 A
|
||||
ATOM 690 C CD2 ? LEU Axp 97 ? 26.615 24.712 14.130 0.00 0 324 A
|
||||
ATOM 696 C CG ? ASP Axp 98 ? 28.941 19.302 13.063 0.00 0 325 A
|
||||
ATOM 697 O OD1 ? ASP Axp 98 ? 29.383 20.437 13.443 0.00 0 325 A
|
||||
ATOM 698 O OD2 ? ASP Axp 98 ? 28.581 18.421 13.874 0.00 0 325 A
|
||||
ATOM 727 C CZ ? ARG Axp 101 ? 30.221 25.880 13.100 0.00 0 328 A
|
||||
ATOM 728 N NH1 ? ARG Axp 101 ? 30.641 25.059 14.054 0.00 0 328 A
|
||||
ATOM 729 N NH2 ? ARG Axp 101 ? 29.744 27.079 13.417 -2.19 0 328 A
|
||||
ATOM 1031 C CA ? ARG Axp 140 ? 22.308 22.460 14.667 0.00 0 367 A
|
||||
ATOM 1034 C CB ? ARG Axp 140 ? 22.854 23.046 15.953 0.00 0 367 A
|
||||
ATOM 1035 C CG ? ARG Axp 140 ? 21.827 23.818 16.751 0.00 0 367 A
|
||||
ATOM 1036 C CD ? ARG Axp 140 ? 22.384 24.464 18.025 0.00 0 367 A
|
||||
ATOM 1037 N NE ? ARG Axp 140 ? 21.358 25.394 18.567 0.00 0 367 A
|
||||
ATOM 1038 C CZ ? ARG Axp 140 ? 21.285 26.690 18.242 0.00 0 367 A
|
||||
ATOM 1039 N NH1 ? ARG Axp 140 ? 22.161 27.219 17.402 -2.19 0 367 A
|
||||
ATOM 1190 C CG ? MET Axp 161 ? 25.693 23.794 22.437 0.00 0 388 A
|
||||
ATOM 1191 S SD ? MET Axp 161 ? 25.108 23.914 20.726 0.00 0 388 A
|
||||
ATOM 1192 C CE ? MET Axp 161 ? 25.473 22.258 20.061 0.00 0 388 A
|
||||
ATOM 1193 N N ? THR Axp 162 ? 27.717 23.001 24.543 -3.28 0 389 A
|
||||
ATOM 1194 C CA ? THR Axp 162 ? 28.998 23.321 25.160 0.00 0 389 A
|
||||
ATOM 1195 C C ? THR Axp 162 ? 29.554 24.650 24.630 0.00 0 389 A
|
||||
ATOM 1196 O O ? THR Axp 162 ? 30.318 24.681 23.653 -0.54 0 389 A
|
||||
ATOM 1197 C CB ? THR Axp 162 ? 30.043 22.165 24.907 0.00 0 389 A
|
||||
ATOM 1198 O OG1 ? THR Axp 162 ? 29.373 20.894 24.874 -2.55 0 389 A
|
||||
ATOM 1213 C CB ? THR Axp 165 ? 25.536 27.768 21.247 0.00 0 392 A
|
||||
ATOM 1214 O OG1 ? THR Axp 165 ? 26.599 27.686 20.315 0.00 0 392 A
|
||||
ATOM 1215 C CG2 ? THR Axp 165 ? 24.206 27.716 20.463 0.00 0 392 A
|
||||
ATOM 1319 C CZ2 ? TRP Axp 178 ? 23.312 29.778 15.389 0.00 0 405 A
|
||||
ATOM 1320 C CZ3 ? TRP Axp 178 ? 23.462 30.785 17.625 0.00 0 405 A
|
||||
ATOM 1321 C CH2 ? TRP Axp 178 ? 24.064 30.155 16.482 0.00 0 405 A
|
||||
ATOM 1530 C CD ? GLU Axp 204 ? 22.806 28.372 11.796 0.00 0 431 A
|
||||
ATOM 1531 O OE1 ? GLU Axp 204 ? 23.660 27.646 12.432 -1.07 0 431 A
|
||||
ATOM 1571 C C ? MET Axp 210 ? 28.632 30.657 11.307 0.00 0 437 A
|
||||
ATOM 1572 O O ? MET Axp 210 ? 27.392 30.484 11.286 -2.14 0 437 A
|
||||
ATOM 1577 N N ? SER Axp 211 ? 29.277 31.096 12.377 -1.51 0 438 A
|
||||
ATOM 1578 C CA ? SER Axp 211 ? 28.519 31.580 13.536 0.00 0 438 A
|
||||
ATOM 1581 C CB ? SER Axp 211 ? 29.357 31.629 14.802 0.00 0 438 A
|
||||
ATOM 1582 O OG ? SER Axp 211 ? 29.670 30.318 15.225 0.00 0 438 A
|
||||
ATOM 1588 C CG ? PRO Axp 212 ? 24.603 32.718 14.282 0.00 0 439 A
|
||||
ATOM 1589 C CD ? PRO Axp 212 ? 25.953 32.242 14.398 0.00 0 439 A
|
||||
ATOM 8085 C CB ? GLU Dxp 239 ? 33.579 23.349 24.058 0.00 0 466 D
|
||||
ATOM 8118 O OE2 ? GLU Dxp 243 ? 31.919 19.332 25.048 0.00 0 470 D
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 21:
|
||||
6 - Hydrophobicity Score : 51.7143
|
||||
7 - Polarity Score : 2
|
||||
8 - Amino Acid based volume Score : 3.8571
|
||||
9 - Pocket volume (Monte Carlo) : 336.8528
|
||||
9 - Pocket volume (Monte Carlo) : 337.7557
|
||||
10 -Pocket volume (convex hull) : 33.9441
|
||||
11 - Charge Score : -1
|
||||
12 - Local hydrophobic density Score : 32.5294
|
||||
@@ -39,36 +39,36 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 5013 C CD1 ? LEU Cxp 113 ? 47.637 45.537 32.420 0.00 0 340 C
|
||||
ATOM 5969 O O ? GLY Cxp 236 ? 41.436 44.926 35.683 -1.88 0 463 C
|
||||
ATOM 5742 C CE2 ? TYR Cxp 208 ? 47.578 41.887 31.506 0.00 0 435 C
|
||||
ATOM 5744 O OH ? TYR Cxp 208 ? 49.149 42.483 33.247 0.00 0 435 C
|
||||
ATOM 5967 C CA ? GLY Cxp 236 ? 40.408 42.885 35.092 0.00 0 463 C
|
||||
ATOM 5960 O O ? GLU Cxp 235 ? 40.959 41.746 32.508 -6.17 0 462 C
|
||||
ATOM 5724 O O ? ALA Cxp 206 ? 44.035 43.617 29.804 -4.29 0 433 C
|
||||
ATOM 4992 C CB ? ALA Cxp 110 ? 46.896 45.998 37.907 0.00 0 337 C
|
||||
ATOM 4989 C CA ? ALA Cxp 110 ? 48.023 46.286 36.893 0.00 0 337 C
|
||||
ATOM 4988 N N ? ALA Cxp 110 ? 49.019 45.250 37.006 -1.09 0 337 C
|
||||
ATOM 5722 C CA ? ALA Cxp 206 ? 44.400 45.936 29.263 0.00 0 433 C
|
||||
ATOM 5011 C CB ? LEU Cxp 113 ? 48.507 47.814 32.706 0.00 0 340 C
|
||||
ATOM 5725 C CB ? ALA Cxp 206 ? 43.007 46.611 29.412 0.00 0 433 C
|
||||
ATOM 5971 C CA ? CYS Cxp 237 ? 40.269 46.381 33.554 0.00 0 464 C
|
||||
ATOM 5968 C C ? GLY Cxp 236 ? 40.655 44.362 34.916 0.00 0 463 C
|
||||
ATOM 5009 C C ? LEU Cxp 113 ? 49.262 50.208 32.866 0.00 0 340 C
|
||||
ATOM 6002 C CG1 ? VAL Cxp 241 ? 41.927 51.680 31.567 0.00 0 468 C
|
||||
ATOM 5010 O O ? LEU Cxp 113 ? 49.304 50.941 31.905 0.00 0 340 C
|
||||
ATOM 5982 C CD ? PRO Cxp 238 ? 41.741 48.427 35.286 0.00 0 465 C
|
||||
ATOM 5975 S SG ? CYS Cxp 237 ? 39.866 48.440 31.675 0.00 0 464 C
|
||||
ATOM 4991 O O ? ALA Cxp 110 ? 48.119 48.581 36.365 -4.29 0 337 C
|
||||
ATOM 5021 C CD1 ? LEU Cxp 114 ? 45.548 52.723 35.306 0.00 0 341 C
|
||||
ATOM 6003 C CG2 ? VAL Cxp 241 ? 42.161 52.318 34.092 0.00 0 468 C
|
||||
ATOM 5981 C CG ? PRO Cxp 238 ? 41.902 49.346 36.487 0.00 0 465 C
|
||||
ATOM 5015 N N ? LEU Cxp 114 ? 48.853 50.629 34.038 -1.09 0 341 C
|
||||
ATOM 5016 C CA ? LEU Cxp 114 ? 48.437 52.025 34.290 0.00 0 341 C
|
||||
ATOM 5047 C CB ? ALA Cxp 117 ? 47.619 53.976 30.267 0.00 0 344 C
|
||||
ATOM 5689 C CD2 ? LEU Cxp 202 ? 44.675 53.384 28.357 0.00 0 429 C
|
||||
ATOM 6210 C CE1 ? PHE Cxp 266 ? 44.724 55.322 32.190 0.00 0 493 C
|
||||
ATOM 5719 C CG2 ? ILE Cxp 205 ? 48.010 48.643 29.034 0.00 0 432 C
|
||||
ATOM 5685 O O ? LEU Cxp 202 ? 43.911 49.067 27.179 -2.14 0 429 C
|
||||
ATOM 5721 N N ? ALA Cxp 206 ? 45.181 46.650 28.250 0.00 0 433 C
|
||||
ATOM 5013 C CD1 ? LEU Cxp 113 ? 47.637 45.537 32.420 0.00 0 340 C
|
||||
ATOM 5969 O O ? GLY Cxp 236 ? 41.436 44.926 35.683 -1.88 0 463 C
|
||||
ATOM 5742 C CE2 ? TYR Cxp 208 ? 47.578 41.887 31.506 0.00 0 435 C
|
||||
ATOM 5744 O OH ? TYR Cxp 208 ? 49.149 42.483 33.247 0.00 0 435 C
|
||||
ATOM 5967 C CA ? GLY Cxp 236 ? 40.408 42.885 35.092 0.00 0 463 C
|
||||
ATOM 5960 O O ? GLU Cxp 235 ? 40.959 41.746 32.508 -6.17 0 462 C
|
||||
ATOM 5724 O O ? ALA Cxp 206 ? 44.035 43.617 29.804 -4.29 0 433 C
|
||||
ATOM 4992 C CB ? ALA Cxp 110 ? 46.896 45.998 37.907 0.00 0 337 C
|
||||
ATOM 4989 C CA ? ALA Cxp 110 ? 48.023 46.286 36.893 0.00 0 337 C
|
||||
ATOM 4988 N N ? ALA Cxp 110 ? 49.019 45.250 37.006 -1.09 0 337 C
|
||||
ATOM 5722 C CA ? ALA Cxp 206 ? 44.400 45.936 29.263 0.00 0 433 C
|
||||
ATOM 5011 C CB ? LEU Cxp 113 ? 48.507 47.814 32.706 0.00 0 340 C
|
||||
ATOM 5725 C CB ? ALA Cxp 206 ? 43.007 46.611 29.412 0.00 0 433 C
|
||||
ATOM 5971 C CA ? CYS Cxp 237 ? 40.269 46.381 33.554 0.00 0 464 C
|
||||
ATOM 5968 C C ? GLY Cxp 236 ? 40.655 44.362 34.916 0.00 0 463 C
|
||||
ATOM 5009 C C ? LEU Cxp 113 ? 49.262 50.208 32.866 0.00 0 340 C
|
||||
ATOM 6002 C CG1 ? VAL Cxp 241 ? 41.927 51.680 31.567 0.00 0 468 C
|
||||
ATOM 5010 O O ? LEU Cxp 113 ? 49.304 50.941 31.905 0.00 0 340 C
|
||||
ATOM 5982 C CD ? PRO Cxp 238 ? 41.741 48.427 35.286 0.00 0 465 C
|
||||
ATOM 5975 S SG ? CYS Cxp 237 ? 39.866 48.440 31.675 0.00 0 464 C
|
||||
ATOM 4991 O O ? ALA Cxp 110 ? 48.119 48.581 36.365 -4.29 0 337 C
|
||||
ATOM 5021 C CD1 ? LEU Cxp 114 ? 45.548 52.723 35.306 0.00 0 341 C
|
||||
ATOM 6003 C CG2 ? VAL Cxp 241 ? 42.161 52.318 34.092 0.00 0 468 C
|
||||
ATOM 5981 C CG ? PRO Cxp 238 ? 41.902 49.346 36.487 0.00 0 465 C
|
||||
ATOM 5015 N N ? LEU Cxp 114 ? 48.853 50.629 34.038 -1.09 0 341 C
|
||||
ATOM 5016 C CA ? LEU Cxp 114 ? 48.437 52.025 34.290 0.00 0 341 C
|
||||
ATOM 5047 C CB ? ALA Cxp 117 ? 47.619 53.976 30.267 0.00 0 344 C
|
||||
ATOM 5689 C CD2 ? LEU Cxp 202 ? 44.675 53.384 28.357 0.00 0 429 C
|
||||
ATOM 6210 C CE1 ? PHE Cxp 266 ? 44.724 55.322 32.190 0.00 0 493 C
|
||||
ATOM 5719 C CG2 ? ILE Cxp 205 ? 48.010 48.643 29.034 0.00 0 432 C
|
||||
ATOM 5685 O O ? LEU Cxp 202 ? 43.911 49.067 27.179 -2.14 0 429 C
|
||||
ATOM 5721 N N ? ALA Cxp 206 ? 45.181 46.650 28.250 0.00 0 433 C
|
||||
#
|
||||
|
||||
@@ -17,60 +17,60 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 4981 C CA ? ASN Cxp 109 ? 50.825 43.818 36.384 0.00 0 336 C
|
||||
ATOM 4982 C C ? ASN Cxp 109 ? 50.104 45.124 36.248 0.00 0 336 C
|
||||
ATOM 4988 N N ? ALA Cxp 110 ? 49.019 45.250 37.006 -1.09 0 337 C
|
||||
ATOM 4989 C CA ? ALA Cxp 110 ? 48.023 46.286 36.893 0.00 0 337 C
|
||||
ATOM 4990 C C ? ALA Cxp 110 ? 48.553 47.694 37.074 0.00 0 337 C
|
||||
ATOM 4991 O O ? ALA Cxp 110 ? 48.119 48.581 36.365 -4.29 0 337 C
|
||||
ATOM 4992 C CB ? ALA Cxp 110 ? 46.896 45.998 37.907 0.00 0 337 C
|
||||
ATOM 5008 C CA ? LEU Cxp 113 ? 49.712 48.768 32.777 0.00 0 340 C
|
||||
ATOM 5009 C C ? LEU Cxp 113 ? 49.262 50.208 32.866 0.00 0 340 C
|
||||
ATOM 5010 O O ? LEU Cxp 113 ? 49.304 50.941 31.905 0.00 0 340 C
|
||||
ATOM 5011 C CB ? LEU Cxp 113 ? 48.507 47.814 32.706 0.00 0 340 C
|
||||
ATOM 5012 C CG ? LEU Cxp 113 ? 48.922 46.332 32.524 0.00 0 340 C
|
||||
ATOM 5013 C CD1 ? LEU Cxp 113 ? 47.637 45.537 32.420 0.00 0 340 C
|
||||
ATOM 5015 N N ? LEU Cxp 114 ? 48.853 50.629 34.038 -1.09 0 341 C
|
||||
ATOM 5016 C CA ? LEU Cxp 114 ? 48.437 52.025 34.290 0.00 0 341 C
|
||||
ATOM 5019 C CB ? LEU Cxp 114 ? 47.935 52.152 35.736 0.00 0 341 C
|
||||
ATOM 5020 C CG ? LEU Cxp 114 ? 46.796 53.097 36.098 0.00 0 341 C
|
||||
ATOM 5021 C CD1 ? LEU Cxp 114 ? 45.548 52.723 35.306 0.00 0 341 C
|
||||
ATOM 5047 C CB ? ALA Cxp 117 ? 47.619 53.976 30.267 0.00 0 344 C
|
||||
ATOM 5683 C CA ? LEU Cxp 202 ? 44.169 51.283 26.225 0.00 0 429 C
|
||||
ATOM 5684 C C ? LEU Cxp 202 ? 43.587 49.854 26.305 0.00 0 429 C
|
||||
ATOM 5685 O O ? LEU Cxp 202 ? 43.911 49.067 27.179 -2.14 0 429 C
|
||||
ATOM 5686 C CB ? LEU Cxp 202 ? 43.118 52.210 26.812 0.00 0 429 C
|
||||
ATOM 5689 C CD2 ? LEU Cxp 202 ? 44.675 53.384 28.357 0.00 0 429 C
|
||||
ATOM 5715 C C ? ILE Cxp 205 ? 46.474 46.377 28.013 0.00 0 432 C
|
||||
ATOM 5717 C CB ? ILE Cxp 205 ? 47.488 48.723 27.607 0.00 0 432 C
|
||||
ATOM 5719 C CG2 ? ILE Cxp 205 ? 48.010 48.643 29.034 0.00 0 432 C
|
||||
ATOM 5721 N N ? ALA Cxp 206 ? 45.181 46.650 28.250 0.00 0 433 C
|
||||
ATOM 5722 C CA ? ALA Cxp 206 ? 44.400 45.936 29.263 0.00 0 433 C
|
||||
ATOM 5723 C C ? ALA Cxp 206 ? 44.262 44.467 28.933 0.00 0 433 C
|
||||
ATOM 5724 O O ? ALA Cxp 206 ? 44.035 43.617 29.804 -4.29 0 433 C
|
||||
ATOM 5725 C CB ? ALA Cxp 206 ? 43.007 46.611 29.412 0.00 0 433 C
|
||||
ATOM 5740 C CD2 ? TYR Cxp 208 ? 47.363 41.572 30.167 0.00 0 435 C
|
||||
ATOM 5742 C CE2 ? TYR Cxp 208 ? 47.578 41.887 31.506 0.00 0 435 C
|
||||
ATOM 5743 C CZ ? TYR Cxp 208 ? 48.869 42.193 31.926 0.00 0 435 C
|
||||
ATOM 5744 O OH ? TYR Cxp 208 ? 49.149 42.483 33.247 0.00 0 435 C
|
||||
ATOM 5959 C C ? GLU Cxp 235 ? 39.827 41.766 32.965 0.00 0 462 C
|
||||
ATOM 5960 O O ? GLU Cxp 235 ? 40.959 41.746 32.508 -6.17 0 462 C
|
||||
ATOM 5966 N N ? GLY Cxp 236 ? 39.492 42.242 34.155 -2.61 0 463 C
|
||||
ATOM 5967 C CA ? GLY Cxp 236 ? 40.408 42.885 35.092 0.00 0 463 C
|
||||
ATOM 5968 C C ? GLY Cxp 236 ? 40.655 44.362 34.916 0.00 0 463 C
|
||||
ATOM 5969 O O ? GLY Cxp 236 ? 41.436 44.926 35.683 -1.88 0 463 C
|
||||
ATOM 5970 N N ? CYS Cxp 237 ? 39.998 45.000 33.919 0.00 0 464 C
|
||||
ATOM 5971 C CA ? CYS Cxp 237 ? 40.269 46.381 33.554 0.00 0 464 C
|
||||
ATOM 5972 C C ? CYS Cxp 237 ? 39.560 47.241 34.572 0.00 0 464 C
|
||||
ATOM 5974 C CB ? CYS Cxp 237 ? 39.767 46.673 32.160 0.00 0 464 C
|
||||
ATOM 5975 S SG ? CYS Cxp 237 ? 39.866 48.440 31.675 0.00 0 464 C
|
||||
ATOM 5976 N N ? PRO Cxp 238 ? 40.288 48.167 35.270 0.00 0 465 C
|
||||
ATOM 5981 C CG ? PRO Cxp 238 ? 41.902 49.346 36.487 0.00 0 465 C
|
||||
ATOM 5982 C CD ? PRO Cxp 238 ? 41.741 48.427 35.286 0.00 0 465 C
|
||||
ATOM 6001 C CB ? VAL Cxp 241 ? 41.221 51.947 32.945 0.00 0 468 C
|
||||
ATOM 6002 C CG1 ? VAL Cxp 241 ? 41.927 51.680 31.567 0.00 0 468 C
|
||||
ATOM 6003 C CG2 ? VAL Cxp 241 ? 42.161 52.318 34.092 0.00 0 468 C
|
||||
ATOM 6208 C CD1 ? PHE Cxp 266 ? 45.432 56.220 32.964 0.00 0 493 C
|
||||
ATOM 6210 C CE1 ? PHE Cxp 266 ? 44.724 55.322 32.190 0.00 0 493 C
|
||||
ATOM 6212 C CZ ? PHE Cxp 266 ? 44.262 55.693 30.950 0.00 0 493 C
|
||||
ATOM 4981 C CA ? ASN Cxp 109 ? 50.825 43.818 36.384 0.00 0 336 C
|
||||
ATOM 4982 C C ? ASN Cxp 109 ? 50.104 45.124 36.248 0.00 0 336 C
|
||||
ATOM 4988 N N ? ALA Cxp 110 ? 49.019 45.250 37.006 -1.09 0 337 C
|
||||
ATOM 4989 C CA ? ALA Cxp 110 ? 48.023 46.286 36.893 0.00 0 337 C
|
||||
ATOM 4990 C C ? ALA Cxp 110 ? 48.553 47.694 37.074 0.00 0 337 C
|
||||
ATOM 4991 O O ? ALA Cxp 110 ? 48.119 48.581 36.365 -4.29 0 337 C
|
||||
ATOM 4992 C CB ? ALA Cxp 110 ? 46.896 45.998 37.907 0.00 0 337 C
|
||||
ATOM 5008 C CA ? LEU Cxp 113 ? 49.712 48.768 32.777 0.00 0 340 C
|
||||
ATOM 5009 C C ? LEU Cxp 113 ? 49.262 50.208 32.866 0.00 0 340 C
|
||||
ATOM 5010 O O ? LEU Cxp 113 ? 49.304 50.941 31.905 0.00 0 340 C
|
||||
ATOM 5011 C CB ? LEU Cxp 113 ? 48.507 47.814 32.706 0.00 0 340 C
|
||||
ATOM 5012 C CG ? LEU Cxp 113 ? 48.922 46.332 32.524 0.00 0 340 C
|
||||
ATOM 5013 C CD1 ? LEU Cxp 113 ? 47.637 45.537 32.420 0.00 0 340 C
|
||||
ATOM 5015 N N ? LEU Cxp 114 ? 48.853 50.629 34.038 -1.09 0 341 C
|
||||
ATOM 5016 C CA ? LEU Cxp 114 ? 48.437 52.025 34.290 0.00 0 341 C
|
||||
ATOM 5019 C CB ? LEU Cxp 114 ? 47.935 52.152 35.736 0.00 0 341 C
|
||||
ATOM 5020 C CG ? LEU Cxp 114 ? 46.796 53.097 36.098 0.00 0 341 C
|
||||
ATOM 5021 C CD1 ? LEU Cxp 114 ? 45.548 52.723 35.306 0.00 0 341 C
|
||||
ATOM 5047 C CB ? ALA Cxp 117 ? 47.619 53.976 30.267 0.00 0 344 C
|
||||
ATOM 5683 C CA ? LEU Cxp 202 ? 44.169 51.283 26.225 0.00 0 429 C
|
||||
ATOM 5684 C C ? LEU Cxp 202 ? 43.587 49.854 26.305 0.00 0 429 C
|
||||
ATOM 5685 O O ? LEU Cxp 202 ? 43.911 49.067 27.179 -2.14 0 429 C
|
||||
ATOM 5686 C CB ? LEU Cxp 202 ? 43.118 52.210 26.812 0.00 0 429 C
|
||||
ATOM 5689 C CD2 ? LEU Cxp 202 ? 44.675 53.384 28.357 0.00 0 429 C
|
||||
ATOM 5715 C C ? ILE Cxp 205 ? 46.474 46.377 28.013 0.00 0 432 C
|
||||
ATOM 5717 C CB ? ILE Cxp 205 ? 47.488 48.723 27.607 0.00 0 432 C
|
||||
ATOM 5719 C CG2 ? ILE Cxp 205 ? 48.010 48.643 29.034 0.00 0 432 C
|
||||
ATOM 5721 N N ? ALA Cxp 206 ? 45.181 46.650 28.250 0.00 0 433 C
|
||||
ATOM 5722 C CA ? ALA Cxp 206 ? 44.400 45.936 29.263 0.00 0 433 C
|
||||
ATOM 5723 C C ? ALA Cxp 206 ? 44.262 44.467 28.933 0.00 0 433 C
|
||||
ATOM 5724 O O ? ALA Cxp 206 ? 44.035 43.617 29.804 -4.29 0 433 C
|
||||
ATOM 5725 C CB ? ALA Cxp 206 ? 43.007 46.611 29.412 0.00 0 433 C
|
||||
ATOM 5740 C CD2 ? TYR Cxp 208 ? 47.363 41.572 30.167 0.00 0 435 C
|
||||
ATOM 5742 C CE2 ? TYR Cxp 208 ? 47.578 41.887 31.506 0.00 0 435 C
|
||||
ATOM 5743 C CZ ? TYR Cxp 208 ? 48.869 42.193 31.926 0.00 0 435 C
|
||||
ATOM 5744 O OH ? TYR Cxp 208 ? 49.149 42.483 33.247 0.00 0 435 C
|
||||
ATOM 5959 C C ? GLU Cxp 235 ? 39.827 41.766 32.965 0.00 0 462 C
|
||||
ATOM 5960 O O ? GLU Cxp 235 ? 40.959 41.746 32.508 -6.17 0 462 C
|
||||
ATOM 5966 N N ? GLY Cxp 236 ? 39.492 42.242 34.155 -2.61 0 463 C
|
||||
ATOM 5967 C CA ? GLY Cxp 236 ? 40.408 42.885 35.092 0.00 0 463 C
|
||||
ATOM 5968 C C ? GLY Cxp 236 ? 40.655 44.362 34.916 0.00 0 463 C
|
||||
ATOM 5969 O O ? GLY Cxp 236 ? 41.436 44.926 35.683 -1.88 0 463 C
|
||||
ATOM 5970 N N ? CYS Cxp 237 ? 39.998 45.000 33.919 0.00 0 464 C
|
||||
ATOM 5971 C CA ? CYS Cxp 237 ? 40.269 46.381 33.554 0.00 0 464 C
|
||||
ATOM 5972 C C ? CYS Cxp 237 ? 39.560 47.241 34.572 0.00 0 464 C
|
||||
ATOM 5974 C CB ? CYS Cxp 237 ? 39.767 46.673 32.160 0.00 0 464 C
|
||||
ATOM 5975 S SG ? CYS Cxp 237 ? 39.866 48.440 31.675 0.00 0 464 C
|
||||
ATOM 5976 N N ? PRO Cxp 238 ? 40.288 48.167 35.270 0.00 0 465 C
|
||||
ATOM 5981 C CG ? PRO Cxp 238 ? 41.902 49.346 36.487 0.00 0 465 C
|
||||
ATOM 5982 C CD ? PRO Cxp 238 ? 41.741 48.427 35.286 0.00 0 465 C
|
||||
ATOM 6001 C CB ? VAL Cxp 241 ? 41.221 51.947 32.945 0.00 0 468 C
|
||||
ATOM 6002 C CG1 ? VAL Cxp 241 ? 41.927 51.680 31.567 0.00 0 468 C
|
||||
ATOM 6003 C CG2 ? VAL Cxp 241 ? 42.161 52.318 34.092 0.00 0 468 C
|
||||
ATOM 6208 C CD1 ? PHE Cxp 266 ? 45.432 56.220 32.964 0.00 0 493 C
|
||||
ATOM 6210 C CE1 ? PHE Cxp 266 ? 44.724 55.322 32.190 0.00 0 493 C
|
||||
ATOM 6212 C CZ ? PHE Cxp 266 ? 44.262 55.693 30.950 0.00 0 493 C
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 22:
|
||||
6 - Hydrophobicity Score : 9.7857
|
||||
7 - Polarity Score : 8
|
||||
8 - Amino Acid based volume Score : 4.0714
|
||||
9 - Pocket volume (Monte Carlo) : 694.6691
|
||||
9 - Pocket volume (Monte Carlo) : 672.5394
|
||||
10 -Pocket volume (convex hull) : 117.8604
|
||||
11 - Charge Score : 0
|
||||
12 - Local hydrophobic density Score : 17.8095
|
||||
@@ -39,39 +39,39 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 4048 O O ? ARG Bxp 256 ? 5.584 39.776 52.007 -0.40 0 483 B
|
||||
ATOM 4034 O O ? SER Bxp 254 ? 3.034 36.722 50.663 -3.35 0 481 B
|
||||
ATOM 4092 O OE1 ? GLU Bxp 261 ? 4.400 40.941 57.227 0.00 0 488 B
|
||||
ATOM 4093 O OE2 ? GLU Bxp 261 ? 2.933 42.122 56.184 0.00 0 488 B
|
||||
ATOM 4040 O O ? ASP Bxp 255 ? 6.559 36.007 52.815 0.00 0 482 B
|
||||
ATOM 4057 C CA ? PRO Bxp 257 ? 6.624 40.819 54.353 0.00 0 484 B
|
||||
ATOM 4143 C CB ? THR Bxp 268 ? 10.227 46.401 67.772 0.00 0 495 B
|
||||
ATOM 4118 C CA ? ALA Bxp 265 ? 9.929 45.031 63.065 0.00 0 492 B
|
||||
ATOM 4145 C CG2 ? THR Bxp 268 ? 10.384 45.639 69.065 0.00 0 495 B
|
||||
ATOM 4144 O OG1 ? THR Bxp 268 ? 8.840 46.564 67.429 0.00 0 495 B
|
||||
ATOM 4120 O O ? ALA Bxp 265 ? 11.641 45.676 64.603 -1.48 0 492 B
|
||||
ATOM 4089 C CB ? GLU Bxp 261 ? 5.421 43.577 58.123 0.00 0 488 B
|
||||
ATOM 4060 C CB ? PRO Bxp 257 ? 7.583 41.016 55.523 0.00 0 484 B
|
||||
ATOM 3947 C CD1 ? LEU Bxp 244 ? 11.916 41.124 59.300 0.00 0 471 B
|
||||
ATOM 4047 C C ? ARG Bxp 256 ? 6.658 39.348 52.433 0.00 0 483 B
|
||||
ATOM 3972 C CB ? ALA Bxp 247 ? 11.015 37.196 55.846 0.00 0 474 B
|
||||
ATOM 3937 C CG ? GLU Bxp 243 ? 13.561 35.641 61.217 0.00 0 470 B
|
||||
ATOM 3940 O OE2 ? GLU Bxp 243 ? 11.836 34.934 62.719 0.00 0 470 B
|
||||
ATOM 3935 O O ? GLU Bxp 243 ? 13.956 36.736 57.962 -1.48 0 470 B
|
||||
ATOM 4062 C CD ? PRO Bxp 257 ? 8.652 39.555 53.954 0.00 0 484 B
|
||||
ATOM 3938 C CD ? GLU Bxp 243 ? 12.975 35.501 62.669 0.00 0 470 B
|
||||
ATOM 3911 O O ? LYS Bxp 240 ? 15.567 39.731 61.909 -3.21 0 467 B
|
||||
ATOM 3939 O OE1 ? GLU Bxp 243 ? 13.626 35.936 63.713 0.00 0 470 B
|
||||
ATOM 4152 S SD ? MET Bxp 269 ? 15.508 43.520 64.899 0.00 0 496 B
|
||||
ATOM 4153 C CE ? MET Bxp 269 ? 14.440 43.776 63.513 0.00 0 496 B
|
||||
ATOM 3912 C CB ? LYS Bxp 240 ? 15.915 39.653 65.197 0.00 0 467 B
|
||||
ATOM 4151 C CG ? MET Bxp 269 ? 14.602 44.443 66.216 0.00 0 496 B
|
||||
ATOM 4121 C CB ? ALA Bxp 265 ? 10.310 43.906 62.117 0.00 0 492 B
|
||||
ATOM 4088 O O ? GLU Bxp 261 ? 7.481 45.179 60.241 -3.62 0 488 B
|
||||
ATOM 3528 N NZ ? LYS Bxp 192 ? 4.513 41.805 50.925 0.00 0 419 B
|
||||
ATOM 4056 N N ? PRO Bxp 257 ? 7.275 39.856 53.515 -1.09 0 484 B
|
||||
ATOM 4061 C CG ? PRO Bxp 257 ? 8.908 40.517 55.032 0.00 0 484 B
|
||||
ATOM 3948 C CD2 ? LEU Bxp 244 ? 13.574 42.584 60.502 0.00 0 471 B
|
||||
ATOM 4087 C C ? GLU Bxp 261 ? 7.103 45.132 59.045 0.00 0 488 B
|
||||
ATOM 4094 N N ? ILE Bxp 262 ? 7.932 45.257 57.985 0.00 0 489 B
|
||||
ATOM 4048 O O ? ARG Bxp 256 ? 5.584 39.776 52.007 -0.40 0 483 B
|
||||
ATOM 4034 O O ? SER Bxp 254 ? 3.034 36.722 50.663 -3.35 0 481 B
|
||||
ATOM 4092 O OE1 ? GLU Bxp 261 ? 4.400 40.941 57.227 0.00 0 488 B
|
||||
ATOM 4093 O OE2 ? GLU Bxp 261 ? 2.933 42.122 56.184 0.00 0 488 B
|
||||
ATOM 4040 O O ? ASP Bxp 255 ? 6.559 36.007 52.815 0.00 0 482 B
|
||||
ATOM 4057 C CA ? PRO Bxp 257 ? 6.624 40.819 54.353 0.00 0 484 B
|
||||
ATOM 4143 C CB ? THR Bxp 268 ? 10.227 46.401 67.772 0.00 0 495 B
|
||||
ATOM 4118 C CA ? ALA Bxp 265 ? 9.929 45.031 63.065 0.00 0 492 B
|
||||
ATOM 4145 C CG2 ? THR Bxp 268 ? 10.384 45.639 69.065 0.00 0 495 B
|
||||
ATOM 4144 O OG1 ? THR Bxp 268 ? 8.840 46.564 67.429 0.00 0 495 B
|
||||
ATOM 4120 O O ? ALA Bxp 265 ? 11.641 45.676 64.603 -1.48 0 492 B
|
||||
ATOM 4089 C CB ? GLU Bxp 261 ? 5.421 43.577 58.123 0.00 0 488 B
|
||||
ATOM 4060 C CB ? PRO Bxp 257 ? 7.583 41.016 55.523 0.00 0 484 B
|
||||
ATOM 3947 C CD1 ? LEU Bxp 244 ? 11.916 41.124 59.300 0.00 0 471 B
|
||||
ATOM 4047 C C ? ARG Bxp 256 ? 6.658 39.348 52.433 0.00 0 483 B
|
||||
ATOM 3972 C CB ? ALA Bxp 247 ? 11.015 37.196 55.846 0.00 0 474 B
|
||||
ATOM 3937 C CG ? GLU Bxp 243 ? 13.561 35.641 61.217 0.00 0 470 B
|
||||
ATOM 3940 O OE2 ? GLU Bxp 243 ? 11.836 34.934 62.719 0.00 0 470 B
|
||||
ATOM 3935 O O ? GLU Bxp 243 ? 13.956 36.736 57.962 -1.48 0 470 B
|
||||
ATOM 4062 C CD ? PRO Bxp 257 ? 8.652 39.555 53.954 0.00 0 484 B
|
||||
ATOM 3938 C CD ? GLU Bxp 243 ? 12.975 35.501 62.669 0.00 0 470 B
|
||||
ATOM 3911 O O ? LYS Bxp 240 ? 15.567 39.731 61.909 -3.21 0 467 B
|
||||
ATOM 3939 O OE1 ? GLU Bxp 243 ? 13.626 35.936 63.713 0.00 0 470 B
|
||||
ATOM 4152 S SD ? MET Bxp 269 ? 15.508 43.520 64.899 0.00 0 496 B
|
||||
ATOM 4153 C CE ? MET Bxp 269 ? 14.440 43.776 63.513 0.00 0 496 B
|
||||
ATOM 3912 C CB ? LYS Bxp 240 ? 15.915 39.653 65.197 0.00 0 467 B
|
||||
ATOM 4151 C CG ? MET Bxp 269 ? 14.602 44.443 66.216 0.00 0 496 B
|
||||
ATOM 4121 C CB ? ALA Bxp 265 ? 10.310 43.906 62.117 0.00 0 492 B
|
||||
ATOM 4088 O O ? GLU Bxp 261 ? 7.481 45.179 60.241 -3.62 0 488 B
|
||||
ATOM 3528 N NZ ? LYS Bxp 192 ? 4.513 41.805 50.925 0.00 0 419 B
|
||||
ATOM 4056 N N ? PRO Bxp 257 ? 7.275 39.856 53.515 -1.09 0 484 B
|
||||
ATOM 4061 C CG ? PRO Bxp 257 ? 8.908 40.517 55.032 0.00 0 484 B
|
||||
ATOM 3948 C CD2 ? LEU Bxp 244 ? 13.574 42.584 60.502 0.00 0 471 B
|
||||
ATOM 4087 C C ? GLU Bxp 261 ? 7.103 45.132 59.045 0.00 0 488 B
|
||||
ATOM 4094 N N ? ILE Bxp 262 ? 7.932 45.257 57.985 0.00 0 489 B
|
||||
#
|
||||
|
||||
@@ -17,59 +17,59 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 3527 C CE ? LYS Bxp 192 ? 4.230 41.475 49.521 0.00 0 419 B
|
||||
ATOM 3528 N NZ ? LYS Bxp 192 ? 4.513 41.805 50.925 0.00 0 419 B
|
||||
ATOM 3909 C CA ? LYS Bxp 240 ? 16.489 38.866 63.991 0.00 0 467 B
|
||||
ATOM 3910 C C ? LYS Bxp 240 ? 16.549 39.699 62.695 0.00 0 467 B
|
||||
ATOM 3911 O O ? LYS Bxp 240 ? 15.567 39.731 61.909 -3.21 0 467 B
|
||||
ATOM 3912 C CB ? LYS Bxp 240 ? 15.915 39.653 65.197 0.00 0 467 B
|
||||
ATOM 3934 C C ? GLU Bxp 243 ? 14.663 37.242 58.823 0.00 0 470 B
|
||||
ATOM 3935 O O ? GLU Bxp 243 ? 13.956 36.736 57.962 -1.48 0 470 B
|
||||
ATOM 3936 C CB ? GLU Bxp 243 ? 14.951 36.297 61.139 0.00 0 470 B
|
||||
ATOM 3937 C CG ? GLU Bxp 243 ? 13.561 35.641 61.217 0.00 0 470 B
|
||||
ATOM 3938 C CD ? GLU Bxp 243 ? 12.975 35.501 62.669 0.00 0 470 B
|
||||
ATOM 3939 O OE1 ? GLU Bxp 243 ? 13.626 35.936 63.713 0.00 0 470 B
|
||||
ATOM 3940 O OE2 ? GLU Bxp 243 ? 11.836 34.934 62.719 0.00 0 470 B
|
||||
ATOM 3941 N N ? LEU Bxp 244 ? 14.719 38.538 59.058 0.00 0 471 B
|
||||
ATOM 3942 C CA ? LEU Bxp 244 ? 14.186 39.576 58.225 0.00 0 471 B
|
||||
ATOM 3945 C CB ? LEU Bxp 244 ? 14.468 40.916 58.905 0.00 0 471 B
|
||||
ATOM 3946 C CG ? LEU Bxp 244 ? 13.279 41.832 59.221 0.00 0 471 B
|
||||
ATOM 3947 C CD1 ? LEU Bxp 244 ? 11.916 41.124 59.300 0.00 0 471 B
|
||||
ATOM 3948 C CD2 ? LEU Bxp 244 ? 13.574 42.584 60.502 0.00 0 471 B
|
||||
ATOM 3972 C CB ? ALA Bxp 247 ? 11.015 37.196 55.846 0.00 0 474 B
|
||||
ATOM 4034 O O ? SER Bxp 254 ? 3.034 36.722 50.663 -3.35 0 481 B
|
||||
ATOM 4038 C CA ? ASP Bxp 255 ? 5.252 35.220 50.980 0.00 0 482 B
|
||||
ATOM 4039 C C ? ASP Bxp 255 ? 6.138 36.234 51.683 0.00 0 482 B
|
||||
ATOM 4040 O O ? ASP Bxp 255 ? 6.559 36.007 52.815 0.00 0 482 B
|
||||
ATOM 4045 N N ? ARG Bxp 256 ? 6.452 37.343 51.021 0.00 0 483 B
|
||||
ATOM 4046 C CA ? ARG Bxp 256 ? 7.422 38.306 51.602 0.00 0 483 B
|
||||
ATOM 4047 C C ? ARG Bxp 256 ? 6.658 39.348 52.433 0.00 0 483 B
|
||||
ATOM 4048 O O ? ARG Bxp 256 ? 5.584 39.776 52.007 -0.40 0 483 B
|
||||
ATOM 4056 N N ? PRO Bxp 257 ? 7.275 39.856 53.515 -1.09 0 484 B
|
||||
ATOM 4057 C CA ? PRO Bxp 257 ? 6.624 40.819 54.353 0.00 0 484 B
|
||||
ATOM 4060 C CB ? PRO Bxp 257 ? 7.583 41.016 55.523 0.00 0 484 B
|
||||
ATOM 4061 C CG ? PRO Bxp 257 ? 8.908 40.517 55.032 0.00 0 484 B
|
||||
ATOM 4062 C CD ? PRO Bxp 257 ? 8.652 39.555 53.954 0.00 0 484 B
|
||||
ATOM 4086 C CA ? GLU Bxp 261 ? 5.633 44.949 58.707 0.00 0 488 B
|
||||
ATOM 4087 C C ? GLU Bxp 261 ? 7.103 45.132 59.045 0.00 0 488 B
|
||||
ATOM 4088 O O ? GLU Bxp 261 ? 7.481 45.179 60.241 -3.62 0 488 B
|
||||
ATOM 4089 C CB ? GLU Bxp 261 ? 5.421 43.577 58.123 0.00 0 488 B
|
||||
ATOM 4090 C CG ? GLU Bxp 261 ? 3.980 43.147 58.071 0.00 0 488 B
|
||||
ATOM 4091 C CD ? GLU Bxp 261 ? 3.752 41.985 57.107 0.00 0 488 B
|
||||
ATOM 4092 O OE1 ? GLU Bxp 261 ? 4.400 40.941 57.227 0.00 0 488 B
|
||||
ATOM 4093 O OE2 ? GLU Bxp 261 ? 2.933 42.122 56.184 0.00 0 488 B
|
||||
ATOM 4094 N N ? ILE Bxp 262 ? 7.932 45.257 57.985 0.00 0 489 B
|
||||
ATOM 4095 C CA ? ILE Bxp 262 ? 9.374 45.475 58.093 0.00 0 489 B
|
||||
ATOM 4099 C CG1 ? ILE Bxp 262 ? 10.102 44.158 56.052 0.00 0 489 B
|
||||
ATOM 4117 N N ? ALA Bxp 265 ? 8.883 45.921 62.496 -1.09 0 492 B
|
||||
ATOM 4118 C CA ? ALA Bxp 265 ? 9.929 45.031 63.065 0.00 0 492 B
|
||||
ATOM 4119 C C ? ALA Bxp 265 ? 11.159 45.807 63.476 0.00 0 492 B
|
||||
ATOM 4120 O O ? ALA Bxp 265 ? 11.641 45.676 64.603 -1.48 0 492 B
|
||||
ATOM 4121 C CB ? ALA Bxp 265 ? 10.310 43.906 62.117 0.00 0 492 B
|
||||
ATOM 4143 C CB ? THR Bxp 268 ? 10.227 46.401 67.772 0.00 0 495 B
|
||||
ATOM 4144 O OG1 ? THR Bxp 268 ? 8.840 46.564 67.429 0.00 0 495 B
|
||||
ATOM 4145 C CG2 ? THR Bxp 268 ? 10.384 45.639 69.065 0.00 0 495 B
|
||||
ATOM 4151 C CG ? MET Bxp 269 ? 14.602 44.443 66.216 0.00 0 496 B
|
||||
ATOM 4152 S SD ? MET Bxp 269 ? 15.508 43.520 64.899 0.00 0 496 B
|
||||
ATOM 4153 C CE ? MET Bxp 269 ? 14.440 43.776 63.513 0.00 0 496 B
|
||||
ATOM 3527 C CE ? LYS Bxp 192 ? 4.230 41.475 49.521 0.00 0 419 B
|
||||
ATOM 3528 N NZ ? LYS Bxp 192 ? 4.513 41.805 50.925 0.00 0 419 B
|
||||
ATOM 3909 C CA ? LYS Bxp 240 ? 16.489 38.866 63.991 0.00 0 467 B
|
||||
ATOM 3910 C C ? LYS Bxp 240 ? 16.549 39.699 62.695 0.00 0 467 B
|
||||
ATOM 3911 O O ? LYS Bxp 240 ? 15.567 39.731 61.909 -3.21 0 467 B
|
||||
ATOM 3912 C CB ? LYS Bxp 240 ? 15.915 39.653 65.197 0.00 0 467 B
|
||||
ATOM 3934 C C ? GLU Bxp 243 ? 14.663 37.242 58.823 0.00 0 470 B
|
||||
ATOM 3935 O O ? GLU Bxp 243 ? 13.956 36.736 57.962 -1.48 0 470 B
|
||||
ATOM 3936 C CB ? GLU Bxp 243 ? 14.951 36.297 61.139 0.00 0 470 B
|
||||
ATOM 3937 C CG ? GLU Bxp 243 ? 13.561 35.641 61.217 0.00 0 470 B
|
||||
ATOM 3938 C CD ? GLU Bxp 243 ? 12.975 35.501 62.669 0.00 0 470 B
|
||||
ATOM 3939 O OE1 ? GLU Bxp 243 ? 13.626 35.936 63.713 0.00 0 470 B
|
||||
ATOM 3940 O OE2 ? GLU Bxp 243 ? 11.836 34.934 62.719 0.00 0 470 B
|
||||
ATOM 3941 N N ? LEU Bxp 244 ? 14.719 38.538 59.058 0.00 0 471 B
|
||||
ATOM 3942 C CA ? LEU Bxp 244 ? 14.186 39.576 58.225 0.00 0 471 B
|
||||
ATOM 3945 C CB ? LEU Bxp 244 ? 14.468 40.916 58.905 0.00 0 471 B
|
||||
ATOM 3946 C CG ? LEU Bxp 244 ? 13.279 41.832 59.221 0.00 0 471 B
|
||||
ATOM 3947 C CD1 ? LEU Bxp 244 ? 11.916 41.124 59.300 0.00 0 471 B
|
||||
ATOM 3948 C CD2 ? LEU Bxp 244 ? 13.574 42.584 60.502 0.00 0 471 B
|
||||
ATOM 3972 C CB ? ALA Bxp 247 ? 11.015 37.196 55.846 0.00 0 474 B
|
||||
ATOM 4034 O O ? SER Bxp 254 ? 3.034 36.722 50.663 -3.35 0 481 B
|
||||
ATOM 4038 C CA ? ASP Bxp 255 ? 5.252 35.220 50.980 0.00 0 482 B
|
||||
ATOM 4039 C C ? ASP Bxp 255 ? 6.138 36.234 51.683 0.00 0 482 B
|
||||
ATOM 4040 O O ? ASP Bxp 255 ? 6.559 36.007 52.815 0.00 0 482 B
|
||||
ATOM 4045 N N ? ARG Bxp 256 ? 6.452 37.343 51.021 0.00 0 483 B
|
||||
ATOM 4046 C CA ? ARG Bxp 256 ? 7.422 38.306 51.602 0.00 0 483 B
|
||||
ATOM 4047 C C ? ARG Bxp 256 ? 6.658 39.348 52.433 0.00 0 483 B
|
||||
ATOM 4048 O O ? ARG Bxp 256 ? 5.584 39.776 52.007 -0.40 0 483 B
|
||||
ATOM 4056 N N ? PRO Bxp 257 ? 7.275 39.856 53.515 -1.09 0 484 B
|
||||
ATOM 4057 C CA ? PRO Bxp 257 ? 6.624 40.819 54.353 0.00 0 484 B
|
||||
ATOM 4060 C CB ? PRO Bxp 257 ? 7.583 41.016 55.523 0.00 0 484 B
|
||||
ATOM 4061 C CG ? PRO Bxp 257 ? 8.908 40.517 55.032 0.00 0 484 B
|
||||
ATOM 4062 C CD ? PRO Bxp 257 ? 8.652 39.555 53.954 0.00 0 484 B
|
||||
ATOM 4086 C CA ? GLU Bxp 261 ? 5.633 44.949 58.707 0.00 0 488 B
|
||||
ATOM 4087 C C ? GLU Bxp 261 ? 7.103 45.132 59.045 0.00 0 488 B
|
||||
ATOM 4088 O O ? GLU Bxp 261 ? 7.481 45.179 60.241 -3.62 0 488 B
|
||||
ATOM 4089 C CB ? GLU Bxp 261 ? 5.421 43.577 58.123 0.00 0 488 B
|
||||
ATOM 4090 C CG ? GLU Bxp 261 ? 3.980 43.147 58.071 0.00 0 488 B
|
||||
ATOM 4091 C CD ? GLU Bxp 261 ? 3.752 41.985 57.107 0.00 0 488 B
|
||||
ATOM 4092 O OE1 ? GLU Bxp 261 ? 4.400 40.941 57.227 0.00 0 488 B
|
||||
ATOM 4093 O OE2 ? GLU Bxp 261 ? 2.933 42.122 56.184 0.00 0 488 B
|
||||
ATOM 4094 N N ? ILE Bxp 262 ? 7.932 45.257 57.985 0.00 0 489 B
|
||||
ATOM 4095 C CA ? ILE Bxp 262 ? 9.374 45.475 58.093 0.00 0 489 B
|
||||
ATOM 4099 C CG1 ? ILE Bxp 262 ? 10.102 44.158 56.052 0.00 0 489 B
|
||||
ATOM 4117 N N ? ALA Bxp 265 ? 8.883 45.921 62.496 -1.09 0 492 B
|
||||
ATOM 4118 C CA ? ALA Bxp 265 ? 9.929 45.031 63.065 0.00 0 492 B
|
||||
ATOM 4119 C C ? ALA Bxp 265 ? 11.159 45.807 63.476 0.00 0 492 B
|
||||
ATOM 4120 O O ? ALA Bxp 265 ? 11.641 45.676 64.603 -1.48 0 492 B
|
||||
ATOM 4121 C CB ? ALA Bxp 265 ? 10.310 43.906 62.117 0.00 0 492 B
|
||||
ATOM 4143 C CB ? THR Bxp 268 ? 10.227 46.401 67.772 0.00 0 495 B
|
||||
ATOM 4144 O OG1 ? THR Bxp 268 ? 8.840 46.564 67.429 0.00 0 495 B
|
||||
ATOM 4145 C CG2 ? THR Bxp 268 ? 10.384 45.639 69.065 0.00 0 495 B
|
||||
ATOM 4151 C CG ? MET Bxp 269 ? 14.602 44.443 66.216 0.00 0 496 B
|
||||
ATOM 4152 S SD ? MET Bxp 269 ? 15.508 43.520 64.899 0.00 0 496 B
|
||||
ATOM 4153 C CE ? MET Bxp 269 ? 14.440 43.776 63.513 0.00 0 496 B
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 23:
|
||||
6 - Hydrophobicity Score : 10.2857
|
||||
7 - Polarity Score : 5
|
||||
8 - Amino Acid based volume Score : 5.0000
|
||||
9 - Pocket volume (Monte Carlo) : 244.5305
|
||||
9 - Pocket volume (Monte Carlo) : 249.0322
|
||||
10 -Pocket volume (convex hull) : 9.4367
|
||||
11 - Charge Score : -1
|
||||
12 - Local hydrophobic density Score : 6.0000
|
||||
@@ -39,21 +39,21 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 8199 C CG ? ASN Dxp 252 ? 27.586 9.214 42.829 0.00 0 479 D
|
||||
ATOM 8186 C CD1 ? TRP Dxp 251 ? 26.276 14.665 45.063 0.00 0 478 D
|
||||
ATOM 8201 N ND2 ? ASN Dxp 252 ? 28.367 8.903 43.871 0.00 0 479 D
|
||||
ATOM 8198 C CB ? ASN Dxp 252 ? 27.436 10.710 42.437 0.00 0 479 D
|
||||
ATOM 8195 C CA ? ASN Dxp 252 ? 28.576 11.606 42.953 0.00 0 479 D
|
||||
ATOM 8188 N NE1 ? TRP Dxp 251 ? 26.256 14.921 46.406 -0.17 0 478 D
|
||||
ATOM 8183 O O ? TRP Dxp 251 ? 29.606 13.897 44.157 -1.07 0 478 D
|
||||
ATOM 8208 C CD ? PRO Dxp 253 ? 30.672 10.672 44.713 0.00 0 480 D
|
||||
ATOM 7945 O OH ? TYR Dxp 222 ? 28.142 17.449 51.358 -4.29 0 449 D
|
||||
ATOM 8191 C CZ2 ? TRP Dxp 251 ? 27.038 16.816 47.830 0.00 0 478 D
|
||||
ATOM 7656 C CE1 ? TYR Dxp 186 ? 28.922 12.123 52.576 0.00 0 413 D
|
||||
ATOM 7659 O OH ? TYR Dxp 186 ? 26.735 12.867 53.246 0.00 0 413 D
|
||||
ATOM 7620 N N ? GLU Dxp 182 ? 32.487 14.873 49.114 0.00 0 409 D
|
||||
ATOM 8189 C CE2 ? TRP Dxp 251 ? 26.844 16.141 46.643 0.00 0 478 D
|
||||
ATOM 7617 C CB ? PRO Dxp 181 ? 30.988 17.092 47.631 0.00 0 408 D
|
||||
ATOM 7624 C CB ? GLU Dxp 182 ? 32.311 12.417 49.315 0.00 0 409 D
|
||||
ATOM 7621 C CA ? GLU Dxp 182 ? 32.543 13.747 50.045 0.00 0 409 D
|
||||
ATOM 8199 C CG ? ASN Dxp 252 ? 27.586 9.214 42.829 0.00 0 479 D
|
||||
ATOM 8186 C CD1 ? TRP Dxp 251 ? 26.276 14.665 45.063 0.00 0 478 D
|
||||
ATOM 8201 N ND2 ? ASN Dxp 252 ? 28.367 8.903 43.871 0.00 0 479 D
|
||||
ATOM 8198 C CB ? ASN Dxp 252 ? 27.436 10.710 42.437 0.00 0 479 D
|
||||
ATOM 8195 C CA ? ASN Dxp 252 ? 28.576 11.606 42.953 0.00 0 479 D
|
||||
ATOM 8188 N NE1 ? TRP Dxp 251 ? 26.256 14.921 46.406 -0.17 0 478 D
|
||||
ATOM 8183 O O ? TRP Dxp 251 ? 29.606 13.897 44.157 -1.07 0 478 D
|
||||
ATOM 8208 C CD ? PRO Dxp 253 ? 30.672 10.672 44.713 0.00 0 480 D
|
||||
ATOM 7945 O OH ? TYR Dxp 222 ? 28.142 17.449 51.358 -4.29 0 449 D
|
||||
ATOM 8191 C CZ2 ? TRP Dxp 251 ? 27.038 16.816 47.830 0.00 0 478 D
|
||||
ATOM 7656 C CE1 ? TYR Dxp 186 ? 28.922 12.123 52.576 0.00 0 413 D
|
||||
ATOM 7659 O OH ? TYR Dxp 186 ? 26.735 12.867 53.246 0.00 0 413 D
|
||||
ATOM 7620 N N ? GLU Dxp 182 ? 32.487 14.873 49.114 0.00 0 409 D
|
||||
ATOM 8189 C CE2 ? TRP Dxp 251 ? 26.844 16.141 46.643 0.00 0 478 D
|
||||
ATOM 7617 C CB ? PRO Dxp 181 ? 30.988 17.092 47.631 0.00 0 408 D
|
||||
ATOM 7624 C CB ? GLU Dxp 182 ? 32.311 12.417 49.315 0.00 0 409 D
|
||||
ATOM 7621 C CA ? GLU Dxp 182 ? 32.543 13.747 50.045 0.00 0 409 D
|
||||
#
|
||||
|
||||
@@ -17,38 +17,38 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 7614 C CA ? PRO Dxp 181 ? 32.231 17.243 48.469 0.00 0 408 D
|
||||
ATOM 7615 C C ? PRO Dxp 181 ? 32.350 16.130 49.537 0.00 0 408 D
|
||||
ATOM 7616 O O ? PRO Dxp 181 ? 32.388 16.443 50.725 0.00 0 408 D
|
||||
ATOM 7617 C CB ? PRO Dxp 181 ? 30.988 17.092 47.631 0.00 0 408 D
|
||||
ATOM 7618 C CG ? PRO Dxp 181 ? 31.356 17.693 46.325 0.00 0 408 D
|
||||
ATOM 7620 N N ? GLU Dxp 182 ? 32.487 14.873 49.114 0.00 0 409 D
|
||||
ATOM 7621 C CA ? GLU Dxp 182 ? 32.543 13.747 50.045 0.00 0 409 D
|
||||
ATOM 7624 C CB ? GLU Dxp 182 ? 32.311 12.417 49.315 0.00 0 409 D
|
||||
ATOM 7625 C CG ? GLU Dxp 182 ? 33.511 11.813 48.605 0.00 0 409 D
|
||||
ATOM 7627 O OE1 ? GLU Dxp 182 ? 33.039 13.333 46.837 0.00 0 409 D
|
||||
ATOM 7647 C CB ? ALA Dxp 185 ? 30.355 15.757 53.617 0.00 0 412 D
|
||||
ATOM 7654 C CD1 ? TYR Dxp 186 ? 30.228 11.746 52.896 0.00 0 413 D
|
||||
ATOM 7656 C CE1 ? TYR Dxp 186 ? 28.922 12.123 52.576 0.00 0 413 D
|
||||
ATOM 7658 C CZ ? TYR Dxp 186 ? 28.026 12.495 53.587 0.00 0 413 D
|
||||
ATOM 7659 O OH ? TYR Dxp 186 ? 26.735 12.867 53.246 0.00 0 413 D
|
||||
ATOM 7945 O OH ? TYR Dxp 222 ? 28.142 17.449 51.358 -4.29 0 449 D
|
||||
ATOM 8182 C C ? TRP Dxp 251 ? 28.907 14.027 43.133 0.00 0 478 D
|
||||
ATOM 8183 O O ? TRP Dxp 251 ? 29.606 13.897 44.157 -1.07 0 478 D
|
||||
ATOM 8185 C CG ? TRP Dxp 251 ? 26.880 15.703 44.398 0.00 0 478 D
|
||||
ATOM 8186 C CD1 ? TRP Dxp 251 ? 26.276 14.665 45.063 0.00 0 478 D
|
||||
ATOM 8187 C CD2 ? TRP Dxp 251 ? 27.270 16.654 45.395 0.00 0 478 D
|
||||
ATOM 8188 N NE1 ? TRP Dxp 251 ? 26.256 14.921 46.406 -0.17 0 478 D
|
||||
ATOM 8189 C CE2 ? TRP Dxp 251 ? 26.844 16.141 46.643 0.00 0 478 D
|
||||
ATOM 8191 C CZ2 ? TRP Dxp 251 ? 27.038 16.816 47.830 0.00 0 478 D
|
||||
ATOM 8193 C CH2 ? TRP Dxp 251 ? 27.687 18.028 47.774 0.00 0 478 D
|
||||
ATOM 8194 N N ? ASN Dxp 252 ? 28.369 12.984 42.500 -2.19 0 479 D
|
||||
ATOM 8195 C CA ? ASN Dxp 252 ? 28.576 11.606 42.953 0.00 0 479 D
|
||||
ATOM 8198 C CB ? ASN Dxp 252 ? 27.436 10.710 42.437 0.00 0 479 D
|
||||
ATOM 8199 C CG ? ASN Dxp 252 ? 27.586 9.214 42.829 0.00 0 479 D
|
||||
ATOM 8200 O OD1 ? ASN Dxp 252 ? 26.967 8.353 42.186 0.00 0 479 D
|
||||
ATOM 8201 N ND2 ? ASN Dxp 252 ? 28.367 8.903 43.871 0.00 0 479 D
|
||||
ATOM 8202 N N ? PRO Dxp 253 ? 30.848 10.724 43.243 0.00 0 480 D
|
||||
ATOM 8207 C CG ? PRO Dxp 253 ? 31.809 9.793 45.177 0.00 0 480 D
|
||||
ATOM 8208 C CD ? PRO Dxp 253 ? 30.672 10.672 44.713 0.00 0 480 D
|
||||
ATOM 7614 C CA ? PRO Dxp 181 ? 32.231 17.243 48.469 0.00 0 408 D
|
||||
ATOM 7615 C C ? PRO Dxp 181 ? 32.350 16.130 49.537 0.00 0 408 D
|
||||
ATOM 7616 O O ? PRO Dxp 181 ? 32.388 16.443 50.725 0.00 0 408 D
|
||||
ATOM 7617 C CB ? PRO Dxp 181 ? 30.988 17.092 47.631 0.00 0 408 D
|
||||
ATOM 7618 C CG ? PRO Dxp 181 ? 31.356 17.693 46.325 0.00 0 408 D
|
||||
ATOM 7620 N N ? GLU Dxp 182 ? 32.487 14.873 49.114 0.00 0 409 D
|
||||
ATOM 7621 C CA ? GLU Dxp 182 ? 32.543 13.747 50.045 0.00 0 409 D
|
||||
ATOM 7624 C CB ? GLU Dxp 182 ? 32.311 12.417 49.315 0.00 0 409 D
|
||||
ATOM 7625 C CG ? GLU Dxp 182 ? 33.511 11.813 48.605 0.00 0 409 D
|
||||
ATOM 7627 O OE1 ? GLU Dxp 182 ? 33.039 13.333 46.837 0.00 0 409 D
|
||||
ATOM 7647 C CB ? ALA Dxp 185 ? 30.355 15.757 53.617 0.00 0 412 D
|
||||
ATOM 7654 C CD1 ? TYR Dxp 186 ? 30.228 11.746 52.896 0.00 0 413 D
|
||||
ATOM 7656 C CE1 ? TYR Dxp 186 ? 28.922 12.123 52.576 0.00 0 413 D
|
||||
ATOM 7658 C CZ ? TYR Dxp 186 ? 28.026 12.495 53.587 0.00 0 413 D
|
||||
ATOM 7659 O OH ? TYR Dxp 186 ? 26.735 12.867 53.246 0.00 0 413 D
|
||||
ATOM 7945 O OH ? TYR Dxp 222 ? 28.142 17.449 51.358 -4.29 0 449 D
|
||||
ATOM 8182 C C ? TRP Dxp 251 ? 28.907 14.027 43.133 0.00 0 478 D
|
||||
ATOM 8183 O O ? TRP Dxp 251 ? 29.606 13.897 44.157 -1.07 0 478 D
|
||||
ATOM 8185 C CG ? TRP Dxp 251 ? 26.880 15.703 44.398 0.00 0 478 D
|
||||
ATOM 8186 C CD1 ? TRP Dxp 251 ? 26.276 14.665 45.063 0.00 0 478 D
|
||||
ATOM 8187 C CD2 ? TRP Dxp 251 ? 27.270 16.654 45.395 0.00 0 478 D
|
||||
ATOM 8188 N NE1 ? TRP Dxp 251 ? 26.256 14.921 46.406 -0.17 0 478 D
|
||||
ATOM 8189 C CE2 ? TRP Dxp 251 ? 26.844 16.141 46.643 0.00 0 478 D
|
||||
ATOM 8191 C CZ2 ? TRP Dxp 251 ? 27.038 16.816 47.830 0.00 0 478 D
|
||||
ATOM 8193 C CH2 ? TRP Dxp 251 ? 27.687 18.028 47.774 0.00 0 478 D
|
||||
ATOM 8194 N N ? ASN Dxp 252 ? 28.369 12.984 42.500 -2.19 0 479 D
|
||||
ATOM 8195 C CA ? ASN Dxp 252 ? 28.576 11.606 42.953 0.00 0 479 D
|
||||
ATOM 8198 C CB ? ASN Dxp 252 ? 27.436 10.710 42.437 0.00 0 479 D
|
||||
ATOM 8199 C CG ? ASN Dxp 252 ? 27.586 9.214 42.829 0.00 0 479 D
|
||||
ATOM 8200 O OD1 ? ASN Dxp 252 ? 26.967 8.353 42.186 0.00 0 479 D
|
||||
ATOM 8201 N ND2 ? ASN Dxp 252 ? 28.367 8.903 43.871 0.00 0 479 D
|
||||
ATOM 8202 N N ? PRO Dxp 253 ? 30.848 10.724 43.243 0.00 0 480 D
|
||||
ATOM 8207 C CG ? PRO Dxp 253 ? 31.809 9.793 45.177 0.00 0 480 D
|
||||
ATOM 8208 C CD ? PRO Dxp 253 ? 30.672 10.672 44.713 0.00 0 480 D
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 24:
|
||||
6 - Hydrophobicity Score : 10.6364
|
||||
7 - Polarity Score : 7
|
||||
8 - Amino Acid based volume Score : 3.7273
|
||||
9 - Pocket volume (Monte Carlo) : 474.0035
|
||||
9 - Pocket volume (Monte Carlo) : 460.9563
|
||||
10 -Pocket volume (convex hull) : 89.6285
|
||||
11 - Charge Score : -1
|
||||
12 - Local hydrophobic density Score : 10.0000
|
||||
@@ -39,35 +39,35 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 1634 C CG ? LEU Axp 218 ? 26.546 36.235 23.630 0.00 0 445 A
|
||||
ATOM 1635 C CD1 ? LEU Axp 218 ? 26.663 34.961 24.461 0.00 0 445 A
|
||||
ATOM 1625 C CB ? ASP Axp 217 ? 29.707 40.718 23.735 0.00 0 444 A
|
||||
ATOM 1633 C CB ? LEU Axp 218 ? 25.982 37.405 24.438 0.00 0 445 A
|
||||
ATOM 1616 O O ? ILE Axp 216 ? 28.714 38.833 20.120 -0.40 0 443 A
|
||||
ATOM 1208 C CB ? ASP Axp 164 ? 29.178 31.688 24.167 0.00 0 391 A
|
||||
ATOM 1307 N NZ ? LYS Axp 177 ? 28.045 36.395 18.402 -5.21 0 404 A
|
||||
ATOM 1636 C CD2 ? LEU Axp 218 ? 25.660 35.987 22.435 0.00 0 445 A
|
||||
ATOM 1207 O O ? ASP Axp 164 ? 26.463 31.466 23.365 -2.55 0 391 A
|
||||
ATOM 1306 C CE ? LYS Axp 177 ? 26.638 36.392 18.974 0.00 0 404 A
|
||||
ATOM 1305 C CD ? LYS Axp 177 ? 25.713 35.218 18.453 0.00 0 404 A
|
||||
ATOM 1212 O O ? THR Axp 165 ? 23.541 30.232 22.305 -2.14 0 392 A
|
||||
ATOM 1299 N N ? LYS Axp 177 ? 21.604 34.670 19.815 0.00 0 404 A
|
||||
ATOM 1586 O O ? PRO Axp 212 ? 27.163 35.309 15.349 -2.14 0 439 A
|
||||
ATOM 1581 C CB ? SER Axp 211 ? 29.357 31.629 14.802 0.00 0 438 A
|
||||
ATOM 1320 C CZ3 ? TRP Axp 178 ? 23.462 30.785 17.625 0.00 0 405 A
|
||||
ATOM 1637 N N ? SER Axp 219 ? 25.769 40.519 25.023 0.00 0 446 A
|
||||
ATOM 1642 O OG ? SER Axp 219 ? 26.959 42.469 26.857 0.00 0 446 A
|
||||
ATOM 1641 C CB ? SER Axp 219 ? 25.796 41.724 27.105 0.00 0 446 A
|
||||
ATOM 1629 N N ? LEU Axp 218 ? 27.266 38.964 23.188 0.00 0 445 A
|
||||
ATOM 1622 C CA ? ASP Axp 217 ? 29.148 40.081 22.440 0.00 0 444 A
|
||||
ATOM 1582 O OG ? SER Axp 211 ? 29.670 30.318 15.225 0.00 0 438 A
|
||||
ATOM 1321 C CH2 ? TRP Axp 178 ? 24.064 30.155 16.482 0.00 0 405 A
|
||||
ATOM 1214 O OG1 ? THR Axp 165 ? 26.599 27.686 20.315 0.00 0 392 A
|
||||
ATOM 1206 C C ? ASP Axp 164 ? 27.100 30.422 23.545 0.00 0 391 A
|
||||
ATOM 1589 C CD ? PRO Axp 212 ? 25.953 32.242 14.398 0.00 0 439 A
|
||||
ATOM 1204 N N ? ASP Axp 164 ? 29.062 29.235 24.428 -0.84 0 391 A
|
||||
ATOM 1209 N N ? THR Axp 165 ? 26.804 29.250 22.931 0.00 0 392 A
|
||||
ATOM 1210 C CA ? THR Axp 165 ? 25.644 29.125 21.999 0.00 0 392 A
|
||||
ATOM 1611 C C ? GLY Axp 215 ? 31.790 39.345 18.361 0.00 0 442 A
|
||||
ATOM 1610 C CA ? GLY Axp 215 ? 32.619 38.349 17.567 0.00 0 442 A
|
||||
ATOM 1634 C CG ? LEU Axp 218 ? 26.546 36.235 23.630 0.00 0 445 A
|
||||
ATOM 1635 C CD1 ? LEU Axp 218 ? 26.663 34.961 24.461 0.00 0 445 A
|
||||
ATOM 1625 C CB ? ASP Axp 217 ? 29.707 40.718 23.735 0.00 0 444 A
|
||||
ATOM 1633 C CB ? LEU Axp 218 ? 25.982 37.405 24.438 0.00 0 445 A
|
||||
ATOM 1616 O O ? ILE Axp 216 ? 28.714 38.833 20.120 -0.40 0 443 A
|
||||
ATOM 1208 C CB ? ASP Axp 164 ? 29.178 31.688 24.167 0.00 0 391 A
|
||||
ATOM 1307 N NZ ? LYS Axp 177 ? 28.045 36.395 18.402 -5.21 0 404 A
|
||||
ATOM 1636 C CD2 ? LEU Axp 218 ? 25.660 35.987 22.435 0.00 0 445 A
|
||||
ATOM 1207 O O ? ASP Axp 164 ? 26.463 31.466 23.365 -2.55 0 391 A
|
||||
ATOM 1306 C CE ? LYS Axp 177 ? 26.638 36.392 18.974 0.00 0 404 A
|
||||
ATOM 1305 C CD ? LYS Axp 177 ? 25.713 35.218 18.453 0.00 0 404 A
|
||||
ATOM 1212 O O ? THR Axp 165 ? 23.541 30.232 22.305 -2.14 0 392 A
|
||||
ATOM 1299 N N ? LYS Axp 177 ? 21.604 34.670 19.815 0.00 0 404 A
|
||||
ATOM 1586 O O ? PRO Axp 212 ? 27.163 35.309 15.349 -2.14 0 439 A
|
||||
ATOM 1581 C CB ? SER Axp 211 ? 29.357 31.629 14.802 0.00 0 438 A
|
||||
ATOM 1320 C CZ3 ? TRP Axp 178 ? 23.462 30.785 17.625 0.00 0 405 A
|
||||
ATOM 1637 N N ? SER Axp 219 ? 25.769 40.519 25.023 0.00 0 446 A
|
||||
ATOM 1642 O OG ? SER Axp 219 ? 26.959 42.469 26.857 0.00 0 446 A
|
||||
ATOM 1641 C CB ? SER Axp 219 ? 25.796 41.724 27.105 0.00 0 446 A
|
||||
ATOM 1629 N N ? LEU Axp 218 ? 27.266 38.964 23.188 0.00 0 445 A
|
||||
ATOM 1622 C CA ? ASP Axp 217 ? 29.148 40.081 22.440 0.00 0 444 A
|
||||
ATOM 1582 O OG ? SER Axp 211 ? 29.670 30.318 15.225 0.00 0 438 A
|
||||
ATOM 1321 C CH2 ? TRP Axp 178 ? 24.064 30.155 16.482 0.00 0 405 A
|
||||
ATOM 1214 O OG1 ? THR Axp 165 ? 26.599 27.686 20.315 0.00 0 392 A
|
||||
ATOM 1206 C C ? ASP Axp 164 ? 27.100 30.422 23.545 0.00 0 391 A
|
||||
ATOM 1589 C CD ? PRO Axp 212 ? 25.953 32.242 14.398 0.00 0 439 A
|
||||
ATOM 1204 N N ? ASP Axp 164 ? 29.062 29.235 24.428 -0.84 0 391 A
|
||||
ATOM 1209 N N ? THR Axp 165 ? 26.804 29.250 22.931 0.00 0 392 A
|
||||
ATOM 1210 C CA ? THR Axp 165 ? 25.644 29.125 21.999 0.00 0 392 A
|
||||
ATOM 1611 C C ? GLY Axp 215 ? 31.790 39.345 18.361 0.00 0 442 A
|
||||
ATOM 1610 C CA ? GLY Axp 215 ? 32.619 38.349 17.567 0.00 0 442 A
|
||||
#
|
||||
|
||||
@@ -17,62 +17,62 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 1204 N N ? ASP Axp 164 ? 29.062 29.235 24.428 -0.84 0 391 A
|
||||
ATOM 1205 C CA ? ASP Axp 164 ? 28.289 30.466 24.504 0.00 0 391 A
|
||||
ATOM 1206 C C ? ASP Axp 164 ? 27.100 30.422 23.545 0.00 0 391 A
|
||||
ATOM 1207 O O ? ASP Axp 164 ? 26.463 31.466 23.365 -2.55 0 391 A
|
||||
ATOM 1208 C CB ? ASP Axp 164 ? 29.178 31.688 24.167 0.00 0 391 A
|
||||
ATOM 1209 N N ? THR Axp 165 ? 26.804 29.250 22.931 0.00 0 392 A
|
||||
ATOM 1210 C CA ? THR Axp 165 ? 25.644 29.125 21.999 0.00 0 392 A
|
||||
ATOM 1211 C C ? THR Axp 165 ? 24.326 29.397 22.732 0.00 0 392 A
|
||||
ATOM 1212 O O ? THR Axp 165 ? 23.541 30.232 22.305 -2.14 0 392 A
|
||||
ATOM 1213 C CB ? THR Axp 165 ? 25.536 27.768 21.247 0.00 0 392 A
|
||||
ATOM 1214 O OG1 ? THR Axp 165 ? 26.599 27.686 20.315 0.00 0 392 A
|
||||
ATOM 1215 C CG2 ? THR Axp 165 ? 24.206 27.716 20.463 0.00 0 392 A
|
||||
ATOM 1286 C C ? PRO Axp 175 ? 20.244 32.256 21.608 0.00 0 402 A
|
||||
ATOM 1291 N N ? ILE Axp 176 ? 20.859 33.260 22.267 0.00 0 403 A
|
||||
ATOM 1292 C CA ? ILE Axp 176 ? 20.637 34.711 22.002 0.00 0 403 A
|
||||
ATOM 1293 C C ? ILE Axp 176 ? 20.604 35.150 20.552 0.00 0 403 A
|
||||
ATOM 1295 C CB ? ILE Axp 176 ? 21.717 35.588 22.696 0.00 0 403 A
|
||||
ATOM 1299 N N ? LYS Axp 177 ? 21.604 34.670 19.815 0.00 0 404 A
|
||||
ATOM 1300 C CA ? LYS Axp 177 ? 21.829 35.087 18.428 0.00 0 404 A
|
||||
ATOM 1303 C CB ? LYS Axp 177 ? 23.257 34.714 18.002 0.00 0 404 A
|
||||
ATOM 1304 C CG ? LYS Axp 177 ? 24.269 35.792 18.311 0.00 0 404 A
|
||||
ATOM 1305 C CD ? LYS Axp 177 ? 25.713 35.218 18.453 0.00 0 404 A
|
||||
ATOM 1306 C CE ? LYS Axp 177 ? 26.638 36.392 18.974 0.00 0 404 A
|
||||
ATOM 1307 N NZ ? LYS Axp 177 ? 28.045 36.395 18.402 -5.21 0 404 A
|
||||
ATOM 1318 C CE3 ? TRP Axp 178 ? 22.147 31.051 17.645 0.00 0 405 A
|
||||
ATOM 1320 C CZ3 ? TRP Axp 178 ? 23.462 30.785 17.625 0.00 0 405 A
|
||||
ATOM 1321 C CH2 ? TRP Axp 178 ? 24.064 30.155 16.482 0.00 0 405 A
|
||||
ATOM 1578 C CA ? SER Axp 211 ? 28.519 31.580 13.536 0.00 0 438 A
|
||||
ATOM 1581 C CB ? SER Axp 211 ? 29.357 31.629 14.802 0.00 0 438 A
|
||||
ATOM 1582 O OG ? SER Axp 211 ? 29.670 30.318 15.225 0.00 0 438 A
|
||||
ATOM 1583 N N ? PRO Axp 212 ? 26.749 33.241 13.625 0.00 0 439 A
|
||||
ATOM 1586 O O ? PRO Axp 212 ? 27.163 35.309 15.349 -2.14 0 439 A
|
||||
ATOM 1588 C CG ? PRO Axp 212 ? 24.603 32.718 14.282 0.00 0 439 A
|
||||
ATOM 1589 C CD ? PRO Axp 212 ? 25.953 32.242 14.398 0.00 0 439 A
|
||||
ATOM 1609 N N ? GLY Axp 215 ? 31.958 37.588 16.536 -2.35 0 442 A
|
||||
ATOM 1610 C CA ? GLY Axp 215 ? 32.619 38.349 17.567 0.00 0 442 A
|
||||
ATOM 1611 C C ? GLY Axp 215 ? 31.790 39.345 18.361 0.00 0 442 A
|
||||
ATOM 1612 O O ? GLY Axp 215 ? 32.322 40.025 19.268 0.00 0 442 A
|
||||
ATOM 1613 N N ? ILE Axp 216 ? 30.504 39.488 18.032 0.00 0 443 A
|
||||
ATOM 1615 C C ? ILE Axp 216 ? 29.274 39.951 20.050 0.00 0 443 A
|
||||
ATOM 1616 O O ? ILE Axp 216 ? 28.714 38.833 20.120 -0.40 0 443 A
|
||||
ATOM 1621 N N ? ASP Axp 217 ? 29.581 40.653 21.147 0.00 0 444 A
|
||||
ATOM 1622 C CA ? ASP Axp 217 ? 29.148 40.081 22.440 0.00 0 444 A
|
||||
ATOM 1623 C C ? ASP Axp 217 ? 27.658 40.069 22.573 0.00 0 444 A
|
||||
ATOM 1625 C CB ? ASP Axp 217 ? 29.707 40.718 23.735 0.00 0 444 A
|
||||
ATOM 1626 C CG ? ASP Axp 217 ? 29.495 42.204 23.817 0.00 0 444 A
|
||||
ATOM 1628 O OD2 ? ASP Axp 217 ? 29.236 42.748 24.938 -5.36 0 444 A
|
||||
ATOM 1629 N N ? LEU Axp 218 ? 27.266 38.964 23.188 0.00 0 445 A
|
||||
ATOM 1630 C CA ? LEU Axp 218 ? 25.952 38.629 23.546 0.00 0 445 A
|
||||
ATOM 1631 C C ? LEU Axp 218 ? 25.155 39.717 24.180 0.00 0 445 A
|
||||
ATOM 1633 C CB ? LEU Axp 218 ? 25.982 37.405 24.438 0.00 0 445 A
|
||||
ATOM 1634 C CG ? LEU Axp 218 ? 26.546 36.235 23.630 0.00 0 445 A
|
||||
ATOM 1635 C CD1 ? LEU Axp 218 ? 26.663 34.961 24.461 0.00 0 445 A
|
||||
ATOM 1636 C CD2 ? LEU Axp 218 ? 25.660 35.987 22.435 0.00 0 445 A
|
||||
ATOM 1637 N N ? SER Axp 219 ? 25.769 40.519 25.023 0.00 0 446 A
|
||||
ATOM 1638 C CA ? SER Axp 219 ? 25.023 41.475 25.807 0.00 0 446 A
|
||||
ATOM 1641 C CB ? SER Axp 219 ? 25.796 41.724 27.105 0.00 0 446 A
|
||||
ATOM 1642 O OG ? SER Axp 219 ? 26.959 42.469 26.857 0.00 0 446 A
|
||||
ATOM 1204 N N ? ASP Axp 164 ? 29.062 29.235 24.428 -0.84 0 391 A
|
||||
ATOM 1205 C CA ? ASP Axp 164 ? 28.289 30.466 24.504 0.00 0 391 A
|
||||
ATOM 1206 C C ? ASP Axp 164 ? 27.100 30.422 23.545 0.00 0 391 A
|
||||
ATOM 1207 O O ? ASP Axp 164 ? 26.463 31.466 23.365 -2.55 0 391 A
|
||||
ATOM 1208 C CB ? ASP Axp 164 ? 29.178 31.688 24.167 0.00 0 391 A
|
||||
ATOM 1209 N N ? THR Axp 165 ? 26.804 29.250 22.931 0.00 0 392 A
|
||||
ATOM 1210 C CA ? THR Axp 165 ? 25.644 29.125 21.999 0.00 0 392 A
|
||||
ATOM 1211 C C ? THR Axp 165 ? 24.326 29.397 22.732 0.00 0 392 A
|
||||
ATOM 1212 O O ? THR Axp 165 ? 23.541 30.232 22.305 -2.14 0 392 A
|
||||
ATOM 1213 C CB ? THR Axp 165 ? 25.536 27.768 21.247 0.00 0 392 A
|
||||
ATOM 1214 O OG1 ? THR Axp 165 ? 26.599 27.686 20.315 0.00 0 392 A
|
||||
ATOM 1215 C CG2 ? THR Axp 165 ? 24.206 27.716 20.463 0.00 0 392 A
|
||||
ATOM 1286 C C ? PRO Axp 175 ? 20.244 32.256 21.608 0.00 0 402 A
|
||||
ATOM 1291 N N ? ILE Axp 176 ? 20.859 33.260 22.267 0.00 0 403 A
|
||||
ATOM 1292 C CA ? ILE Axp 176 ? 20.637 34.711 22.002 0.00 0 403 A
|
||||
ATOM 1293 C C ? ILE Axp 176 ? 20.604 35.150 20.552 0.00 0 403 A
|
||||
ATOM 1295 C CB ? ILE Axp 176 ? 21.717 35.588 22.696 0.00 0 403 A
|
||||
ATOM 1299 N N ? LYS Axp 177 ? 21.604 34.670 19.815 0.00 0 404 A
|
||||
ATOM 1300 C CA ? LYS Axp 177 ? 21.829 35.087 18.428 0.00 0 404 A
|
||||
ATOM 1303 C CB ? LYS Axp 177 ? 23.257 34.714 18.002 0.00 0 404 A
|
||||
ATOM 1304 C CG ? LYS Axp 177 ? 24.269 35.792 18.311 0.00 0 404 A
|
||||
ATOM 1305 C CD ? LYS Axp 177 ? 25.713 35.218 18.453 0.00 0 404 A
|
||||
ATOM 1306 C CE ? LYS Axp 177 ? 26.638 36.392 18.974 0.00 0 404 A
|
||||
ATOM 1307 N NZ ? LYS Axp 177 ? 28.045 36.395 18.402 -5.21 0 404 A
|
||||
ATOM 1318 C CE3 ? TRP Axp 178 ? 22.147 31.051 17.645 0.00 0 405 A
|
||||
ATOM 1320 C CZ3 ? TRP Axp 178 ? 23.462 30.785 17.625 0.00 0 405 A
|
||||
ATOM 1321 C CH2 ? TRP Axp 178 ? 24.064 30.155 16.482 0.00 0 405 A
|
||||
ATOM 1578 C CA ? SER Axp 211 ? 28.519 31.580 13.536 0.00 0 438 A
|
||||
ATOM 1581 C CB ? SER Axp 211 ? 29.357 31.629 14.802 0.00 0 438 A
|
||||
ATOM 1582 O OG ? SER Axp 211 ? 29.670 30.318 15.225 0.00 0 438 A
|
||||
ATOM 1583 N N ? PRO Axp 212 ? 26.749 33.241 13.625 0.00 0 439 A
|
||||
ATOM 1586 O O ? PRO Axp 212 ? 27.163 35.309 15.349 -2.14 0 439 A
|
||||
ATOM 1588 C CG ? PRO Axp 212 ? 24.603 32.718 14.282 0.00 0 439 A
|
||||
ATOM 1589 C CD ? PRO Axp 212 ? 25.953 32.242 14.398 0.00 0 439 A
|
||||
ATOM 1609 N N ? GLY Axp 215 ? 31.958 37.588 16.536 -2.35 0 442 A
|
||||
ATOM 1610 C CA ? GLY Axp 215 ? 32.619 38.349 17.567 0.00 0 442 A
|
||||
ATOM 1611 C C ? GLY Axp 215 ? 31.790 39.345 18.361 0.00 0 442 A
|
||||
ATOM 1612 O O ? GLY Axp 215 ? 32.322 40.025 19.268 0.00 0 442 A
|
||||
ATOM 1613 N N ? ILE Axp 216 ? 30.504 39.488 18.032 0.00 0 443 A
|
||||
ATOM 1615 C C ? ILE Axp 216 ? 29.274 39.951 20.050 0.00 0 443 A
|
||||
ATOM 1616 O O ? ILE Axp 216 ? 28.714 38.833 20.120 -0.40 0 443 A
|
||||
ATOM 1621 N N ? ASP Axp 217 ? 29.581 40.653 21.147 0.00 0 444 A
|
||||
ATOM 1622 C CA ? ASP Axp 217 ? 29.148 40.081 22.440 0.00 0 444 A
|
||||
ATOM 1623 C C ? ASP Axp 217 ? 27.658 40.069 22.573 0.00 0 444 A
|
||||
ATOM 1625 C CB ? ASP Axp 217 ? 29.707 40.718 23.735 0.00 0 444 A
|
||||
ATOM 1626 C CG ? ASP Axp 217 ? 29.495 42.204 23.817 0.00 0 444 A
|
||||
ATOM 1628 O OD2 ? ASP Axp 217 ? 29.236 42.748 24.938 -5.36 0 444 A
|
||||
ATOM 1629 N N ? LEU Axp 218 ? 27.266 38.964 23.188 0.00 0 445 A
|
||||
ATOM 1630 C CA ? LEU Axp 218 ? 25.952 38.629 23.546 0.00 0 445 A
|
||||
ATOM 1631 C C ? LEU Axp 218 ? 25.155 39.717 24.180 0.00 0 445 A
|
||||
ATOM 1633 C CB ? LEU Axp 218 ? 25.982 37.405 24.438 0.00 0 445 A
|
||||
ATOM 1634 C CG ? LEU Axp 218 ? 26.546 36.235 23.630 0.00 0 445 A
|
||||
ATOM 1635 C CD1 ? LEU Axp 218 ? 26.663 34.961 24.461 0.00 0 445 A
|
||||
ATOM 1636 C CD2 ? LEU Axp 218 ? 25.660 35.987 22.435 0.00 0 445 A
|
||||
ATOM 1637 N N ? SER Axp 219 ? 25.769 40.519 25.023 0.00 0 446 A
|
||||
ATOM 1638 C CA ? SER Axp 219 ? 25.023 41.475 25.807 0.00 0 446 A
|
||||
ATOM 1641 C CB ? SER Axp 219 ? 25.796 41.724 27.105 0.00 0 446 A
|
||||
ATOM 1642 O OG ? SER Axp 219 ? 26.959 42.469 26.857 0.00 0 446 A
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 25:
|
||||
6 - Hydrophobicity Score : 5.1667
|
||||
7 - Polarity Score : 5
|
||||
8 - Amino Acid based volume Score : 5.0000
|
||||
9 - Pocket volume (Monte Carlo) : 272.2723
|
||||
9 - Pocket volume (Monte Carlo) : 272.5095
|
||||
10 -Pocket volume (convex hull) : 4.5972
|
||||
11 - Charge Score : -2
|
||||
12 - Local hydrophobic density Score : 1.0000
|
||||
@@ -39,18 +39,18 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 6291 O O ? GLU Dxp 9 ? 72.604 3.890 48.729 0.00 0 236 D
|
||||
ATOM 6300 O O ? MET Dxp 10 ? 74.107 7.374 51.316 -2.14 0 237 D
|
||||
ATOM 6293 C CG ? GLU Dxp 9 ? 71.423 4.039 52.375 0.00 0 236 D
|
||||
ATOM 6312 O OE1 ? GLU Dxp 11 ? 77.808 6.551 52.358 0.00 0 238 D
|
||||
ATOM 6299 C C ? MET Dxp 10 ? 74.371 7.293 50.096 0.00 0 237 D
|
||||
ATOM 6305 N N ? GLU Dxp 11 ? 75.439 7.869 49.548 -2.19 0 238 D
|
||||
ATOM 6309 C CB ? GLU Dxp 11 ? 77.861 8.128 49.916 0.00 0 238 D
|
||||
ATOM 6510 C CE ? LYS Dxp 36 ? 78.782 6.894 42.671 0.00 0 263 D
|
||||
ATOM 6511 N NZ ? LYS Dxp 36 ? 78.219 5.612 42.198 0.00 0 263 D
|
||||
ATOM 6301 C CB ? MET Dxp 10 ? 73.225 7.186 47.771 0.00 0 237 D
|
||||
ATOM 6335 O OD2 ? ASP Dxp 14 ? 78.726 9.496 45.541 -2.55 0 241 D
|
||||
ATOM 6298 C CA ? MET Dxp 10 ? 73.486 6.472 49.131 0.00 0 237 D
|
||||
ATOM 6491 C CZ2 ? TRP Dxp 34 ? 73.535 8.757 43.118 0.00 0 261 D
|
||||
ATOM 6488 N NE1 ? TRP Dxp 34 ? 75.151 10.418 44.105 -1.09 0 261 D
|
||||
ATOM 6291 O O ? GLU Dxp 9 ? 72.604 3.890 48.729 0.00 0 236 D
|
||||
ATOM 6300 O O ? MET Dxp 10 ? 74.107 7.374 51.316 -2.14 0 237 D
|
||||
ATOM 6293 C CG ? GLU Dxp 9 ? 71.423 4.039 52.375 0.00 0 236 D
|
||||
ATOM 6312 O OE1 ? GLU Dxp 11 ? 77.808 6.551 52.358 0.00 0 238 D
|
||||
ATOM 6299 C C ? MET Dxp 10 ? 74.371 7.293 50.096 0.00 0 237 D
|
||||
ATOM 6305 N N ? GLU Dxp 11 ? 75.439 7.869 49.548 -2.19 0 238 D
|
||||
ATOM 6309 C CB ? GLU Dxp 11 ? 77.861 8.128 49.916 0.00 0 238 D
|
||||
ATOM 6510 C CE ? LYS Dxp 36 ? 78.782 6.894 42.671 0.00 0 263 D
|
||||
ATOM 6511 N NZ ? LYS Dxp 36 ? 78.219 5.612 42.198 0.00 0 263 D
|
||||
ATOM 6301 C CB ? MET Dxp 10 ? 73.225 7.186 47.771 0.00 0 237 D
|
||||
ATOM 6335 O OD2 ? ASP Dxp 14 ? 78.726 9.496 45.541 -2.55 0 241 D
|
||||
ATOM 6298 C CA ? MET Dxp 10 ? 73.486 6.472 49.131 0.00 0 237 D
|
||||
ATOM 6491 C CZ2 ? TRP Dxp 34 ? 73.535 8.757 43.118 0.00 0 261 D
|
||||
ATOM 6488 N NE1 ? TRP Dxp 34 ? 75.151 10.418 44.105 -1.09 0 261 D
|
||||
#
|
||||
|
||||
@@ -17,30 +17,30 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 6290 C C ? GLU Dxp 9 ? 71.915 4.628 49.430 0.00 0 236 D
|
||||
ATOM 6291 O O ? GLU Dxp 9 ? 72.604 3.890 48.729 0.00 0 236 D
|
||||
ATOM 6292 C CB ? GLU Dxp 9 ? 70.763 3.288 51.242 0.00 0 236 D
|
||||
ATOM 6293 C CG ? GLU Dxp 9 ? 71.423 4.039 52.375 0.00 0 236 D
|
||||
ATOM 6297 N N ? MET Dxp 10 ? 72.265 5.885 49.709 0.00 0 237 D
|
||||
ATOM 6298 C CA ? MET Dxp 10 ? 73.486 6.472 49.131 0.00 0 237 D
|
||||
ATOM 6299 C C ? MET Dxp 10 ? 74.371 7.293 50.096 0.00 0 237 D
|
||||
ATOM 6300 O O ? MET Dxp 10 ? 74.107 7.374 51.316 -2.14 0 237 D
|
||||
ATOM 6301 C CB ? MET Dxp 10 ? 73.225 7.186 47.771 0.00 0 237 D
|
||||
ATOM 6303 S SD ? MET Dxp 10 ? 72.034 9.214 46.200 0.00 0 237 D
|
||||
ATOM 6304 C CE ? MET Dxp 10 ? 73.478 10.172 46.696 0.00 0 237 D
|
||||
ATOM 6305 N N ? GLU Dxp 11 ? 75.439 7.869 49.548 -2.19 0 238 D
|
||||
ATOM 6306 C CA ? GLU Dxp 11 ? 76.441 8.484 50.396 0.00 0 238 D
|
||||
ATOM 6309 C CB ? GLU Dxp 11 ? 77.861 8.128 49.916 0.00 0 238 D
|
||||
ATOM 6310 C CG ? GLU Dxp 11 ? 78.934 8.247 51.025 0.00 0 238 D
|
||||
ATOM 6311 C CD ? GLU Dxp 11 ? 78.901 7.095 52.047 0.00 0 238 D
|
||||
ATOM 6312 O OE1 ? GLU Dxp 11 ? 77.808 6.551 52.358 0.00 0 238 D
|
||||
ATOM 6313 O OE2 ? GLU Dxp 11 ? 79.993 6.732 52.542 0.00 0 238 D
|
||||
ATOM 6333 C CG ? ASP Dxp 14 ? 78.386 10.697 45.659 0.00 0 241 D
|
||||
ATOM 6335 O OD2 ? ASP Dxp 14 ? 78.726 9.496 45.541 -2.55 0 241 D
|
||||
ATOM 6488 N NE1 ? TRP Dxp 34 ? 75.151 10.418 44.105 -1.09 0 261 D
|
||||
ATOM 6489 C CE2 ? TRP Dxp 34 ? 74.096 10.029 43.321 0.00 0 261 D
|
||||
ATOM 6491 C CZ2 ? TRP Dxp 34 ? 73.535 8.757 43.118 0.00 0 261 D
|
||||
ATOM 6509 C CD ? LYS Dxp 36 ? 78.417 8.015 41.707 0.00 0 263 D
|
||||
ATOM 6510 C CE ? LYS Dxp 36 ? 78.782 6.894 42.671 0.00 0 263 D
|
||||
ATOM 6511 N NZ ? LYS Dxp 36 ? 78.219 5.612 42.198 0.00 0 263 D
|
||||
ATOM 6290 C C ? GLU Dxp 9 ? 71.915 4.628 49.430 0.00 0 236 D
|
||||
ATOM 6291 O O ? GLU Dxp 9 ? 72.604 3.890 48.729 0.00 0 236 D
|
||||
ATOM 6292 C CB ? GLU Dxp 9 ? 70.763 3.288 51.242 0.00 0 236 D
|
||||
ATOM 6293 C CG ? GLU Dxp 9 ? 71.423 4.039 52.375 0.00 0 236 D
|
||||
ATOM 6297 N N ? MET Dxp 10 ? 72.265 5.885 49.709 0.00 0 237 D
|
||||
ATOM 6298 C CA ? MET Dxp 10 ? 73.486 6.472 49.131 0.00 0 237 D
|
||||
ATOM 6299 C C ? MET Dxp 10 ? 74.371 7.293 50.096 0.00 0 237 D
|
||||
ATOM 6300 O O ? MET Dxp 10 ? 74.107 7.374 51.316 -2.14 0 237 D
|
||||
ATOM 6301 C CB ? MET Dxp 10 ? 73.225 7.186 47.771 0.00 0 237 D
|
||||
ATOM 6303 S SD ? MET Dxp 10 ? 72.034 9.214 46.200 0.00 0 237 D
|
||||
ATOM 6304 C CE ? MET Dxp 10 ? 73.478 10.172 46.696 0.00 0 237 D
|
||||
ATOM 6305 N N ? GLU Dxp 11 ? 75.439 7.869 49.548 -2.19 0 238 D
|
||||
ATOM 6306 C CA ? GLU Dxp 11 ? 76.441 8.484 50.396 0.00 0 238 D
|
||||
ATOM 6309 C CB ? GLU Dxp 11 ? 77.861 8.128 49.916 0.00 0 238 D
|
||||
ATOM 6310 C CG ? GLU Dxp 11 ? 78.934 8.247 51.025 0.00 0 238 D
|
||||
ATOM 6311 C CD ? GLU Dxp 11 ? 78.901 7.095 52.047 0.00 0 238 D
|
||||
ATOM 6312 O OE1 ? GLU Dxp 11 ? 77.808 6.551 52.358 0.00 0 238 D
|
||||
ATOM 6313 O OE2 ? GLU Dxp 11 ? 79.993 6.732 52.542 0.00 0 238 D
|
||||
ATOM 6333 C CG ? ASP Dxp 14 ? 78.386 10.697 45.659 0.00 0 241 D
|
||||
ATOM 6335 O OD2 ? ASP Dxp 14 ? 78.726 9.496 45.541 -2.55 0 241 D
|
||||
ATOM 6488 N NE1 ? TRP Dxp 34 ? 75.151 10.418 44.105 -1.09 0 261 D
|
||||
ATOM 6489 C CE2 ? TRP Dxp 34 ? 74.096 10.029 43.321 0.00 0 261 D
|
||||
ATOM 6491 C CZ2 ? TRP Dxp 34 ? 73.535 8.757 43.118 0.00 0 261 D
|
||||
ATOM 6509 C CD ? LYS Dxp 36 ? 78.417 8.015 41.707 0.00 0 263 D
|
||||
ATOM 6510 C CE ? LYS Dxp 36 ? 78.782 6.894 42.671 0.00 0 263 D
|
||||
ATOM 6511 N NZ ? LYS Dxp 36 ? 78.219 5.612 42.198 0.00 0 263 D
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 26:
|
||||
6 - Hydrophobicity Score : 57.6667
|
||||
7 - Polarity Score : 0
|
||||
8 - Amino Acid based volume Score : 3.5833
|
||||
9 - Pocket volume (Monte Carlo) : 231.5366
|
||||
9 - Pocket volume (Monte Carlo) : 229.2369
|
||||
10 -Pocket volume (convex hull) : 15.0678
|
||||
11 - Charge Score : 0
|
||||
12 - Local hydrophobic density Score : 38.0000
|
||||
@@ -39,31 +39,31 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 1821 C CG1 ? VAL Axp 241 ? 18.722 33.273 0.801 0.00 0 468 A
|
||||
ATOM 824 N N ? LEU Axp 114 ? 19.877 26.311 -1.669 0.00 0 341 A
|
||||
ATOM 818 C C ? LEU Axp 113 ? 20.351 26.072 -0.464 0.00 0 340 A
|
||||
ATOM 825 C CA ? LEU Axp 114 ? 18.529 26.785 -1.887 0.00 0 341 A
|
||||
ATOM 798 C CA ? ALA Axp 110 ? 24.131 27.516 -4.659 0.00 0 337 A
|
||||
ATOM 1805 C CD ? PRO Axp 238 ? 21.822 33.590 -2.836 0.00 0 465 A
|
||||
ATOM 1792 O O ? GLY Axp 236 ? 25.501 33.661 -3.290 -6.17 0 463 A
|
||||
ATOM 801 C CB ? ALA Axp 110 ? 24.277 28.499 -5.862 0.00 0 337 A
|
||||
ATOM 819 O O ? LEU Axp 113 ? 19.663 26.116 0.542 -1.07 0 340 A
|
||||
ATOM 856 C CB ? ALA Axp 117 ? 16.641 27.654 2.208 0.00 0 344 A
|
||||
ATOM 1539 C CG2 ? ILE Axp 205 ? 21.953 27.141 3.249 0.00 0 432 A
|
||||
ATOM 1509 C CD2 ? LEU Axp 202 ? 16.995 30.754 4.286 0.00 0 429 A
|
||||
ATOM 1505 O O ? LEU Axp 202 ? 21.436 31.217 5.146 -3.21 0 429 A
|
||||
ATOM 820 C CB ? LEU Axp 113 ? 22.728 26.946 -0.496 0.00 0 340 A
|
||||
ATOM 830 C CD1 ? LEU Axp 114 ? 17.000 29.244 -2.786 0.00 0 341 A
|
||||
ATOM 2030 C CE1 ? PHE Axp 266 ? 15.255 30.669 0.284 0.00 0 493 A
|
||||
ATOM 828 C CB ? LEU Axp 114 ? 18.476 27.301 -3.305 0.00 0 341 A
|
||||
ATOM 1804 C CG ? PRO Axp 238 ? 21.078 33.317 -4.111 0.00 0 465 A
|
||||
ATOM 1822 C CG2 ? VAL Axp 241 ? 17.795 32.913 -1.514 0.00 0 468 A
|
||||
ATOM 800 O O ? ALA Axp 110 ? 21.862 27.166 -3.931 -1.07 0 337 A
|
||||
ATOM 1545 C CB ? ALA Axp 206 ? 24.087 32.253 2.900 0.00 0 433 A
|
||||
ATOM 1541 N N ? ALA Axp 206 ? 24.014 29.985 3.998 0.00 0 433 A
|
||||
ATOM 1798 S SG ? CYS Axp 237 ? 22.030 35.316 0.634 0.00 0 464 A
|
||||
ATOM 1794 C CA ? CYS Axp 237 ? 24.026 34.922 -1.329 0.00 0 464 A
|
||||
ATOM 1544 O O ? ALA Axp 206 ? 26.983 31.382 2.492 -3.21 0 433 A
|
||||
ATOM 1542 C CA ? ALA Axp 206 ? 24.748 30.821 3.023 0.00 0 433 A
|
||||
ATOM 822 C CD1 ? LEU Axp 113 ? 25.012 27.872 -0.209 0.00 0 340 A
|
||||
ATOM 1821 C CG1 ? VAL Axp 241 ? 18.722 33.273 0.801 0.00 0 468 A
|
||||
ATOM 824 N N ? LEU Axp 114 ? 19.877 26.311 -1.669 0.00 0 341 A
|
||||
ATOM 818 C C ? LEU Axp 113 ? 20.351 26.072 -0.464 0.00 0 340 A
|
||||
ATOM 825 C CA ? LEU Axp 114 ? 18.529 26.785 -1.887 0.00 0 341 A
|
||||
ATOM 798 C CA ? ALA Axp 110 ? 24.131 27.516 -4.659 0.00 0 337 A
|
||||
ATOM 1805 C CD ? PRO Axp 238 ? 21.822 33.590 -2.836 0.00 0 465 A
|
||||
ATOM 1792 O O ? GLY Axp 236 ? 25.501 33.661 -3.290 -6.17 0 463 A
|
||||
ATOM 801 C CB ? ALA Axp 110 ? 24.277 28.499 -5.862 0.00 0 337 A
|
||||
ATOM 819 O O ? LEU Axp 113 ? 19.663 26.116 0.542 -1.07 0 340 A
|
||||
ATOM 856 C CB ? ALA Axp 117 ? 16.641 27.654 2.208 0.00 0 344 A
|
||||
ATOM 1539 C CG2 ? ILE Axp 205 ? 21.953 27.141 3.249 0.00 0 432 A
|
||||
ATOM 1509 C CD2 ? LEU Axp 202 ? 16.995 30.754 4.286 0.00 0 429 A
|
||||
ATOM 1505 O O ? LEU Axp 202 ? 21.436 31.217 5.146 -3.21 0 429 A
|
||||
ATOM 820 C CB ? LEU Axp 113 ? 22.728 26.946 -0.496 0.00 0 340 A
|
||||
ATOM 830 C CD1 ? LEU Axp 114 ? 17.000 29.244 -2.786 0.00 0 341 A
|
||||
ATOM 2030 C CE1 ? PHE Axp 266 ? 15.255 30.669 0.284 0.00 0 493 A
|
||||
ATOM 828 C CB ? LEU Axp 114 ? 18.476 27.301 -3.305 0.00 0 341 A
|
||||
ATOM 1804 C CG ? PRO Axp 238 ? 21.078 33.317 -4.111 0.00 0 465 A
|
||||
ATOM 1822 C CG2 ? VAL Axp 241 ? 17.795 32.913 -1.514 0.00 0 468 A
|
||||
ATOM 800 O O ? ALA Axp 110 ? 21.862 27.166 -3.931 -1.07 0 337 A
|
||||
ATOM 1545 C CB ? ALA Axp 206 ? 24.087 32.253 2.900 0.00 0 433 A
|
||||
ATOM 1541 N N ? ALA Axp 206 ? 24.014 29.985 3.998 0.00 0 433 A
|
||||
ATOM 1798 S SG ? CYS Axp 237 ? 22.030 35.316 0.634 0.00 0 464 A
|
||||
ATOM 1794 C CA ? CYS Axp 237 ? 24.026 34.922 -1.329 0.00 0 464 A
|
||||
ATOM 1544 O O ? ALA Axp 206 ? 26.983 31.382 2.492 -3.21 0 433 A
|
||||
ATOM 1542 C CA ? ALA Axp 206 ? 24.748 30.821 3.023 0.00 0 433 A
|
||||
ATOM 822 C CD1 ? LEU Axp 113 ? 25.012 27.872 -0.209 0.00 0 340 A
|
||||
#
|
||||
|
||||
@@ -17,53 +17,53 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 797 N N ? ALA Axp 110 ? 25.276 26.616 -4.638 -1.51 0 337 A
|
||||
ATOM 798 C CA ? ALA Axp 110 ? 24.131 27.516 -4.659 0.00 0 337 A
|
||||
ATOM 799 C C ? ALA Axp 110 ? 22.743 26.831 -4.716 0.00 0 337 A
|
||||
ATOM 800 O O ? ALA Axp 110 ? 21.862 27.166 -3.931 -1.07 0 337 A
|
||||
ATOM 801 C CB ? ALA Axp 110 ? 24.277 28.499 -5.862 0.00 0 337 A
|
||||
ATOM 817 C CA ? LEU Axp 113 ? 21.830 25.699 -0.438 0.00 0 340 A
|
||||
ATOM 818 C C ? LEU Axp 113 ? 20.351 26.072 -0.464 0.00 0 340 A
|
||||
ATOM 819 O O ? LEU Axp 113 ? 19.663 26.116 0.542 -1.07 0 340 A
|
||||
ATOM 820 C CB ? LEU Axp 113 ? 22.728 26.946 -0.496 0.00 0 340 A
|
||||
ATOM 821 C CG ? LEU Axp 113 ? 24.241 26.609 -0.297 0.00 0 340 A
|
||||
ATOM 822 C CD1 ? LEU Axp 113 ? 25.012 27.872 -0.209 0.00 0 340 A
|
||||
ATOM 824 N N ? LEU Axp 114 ? 19.877 26.311 -1.669 0.00 0 341 A
|
||||
ATOM 825 C CA ? LEU Axp 114 ? 18.529 26.785 -1.887 0.00 0 341 A
|
||||
ATOM 827 O O ? LEU Axp 114 ? 16.580 25.881 -0.904 0.00 0 341 A
|
||||
ATOM 828 C CB ? LEU Axp 114 ? 18.476 27.301 -3.305 0.00 0 341 A
|
||||
ATOM 829 C CG ? LEU Axp 114 ? 17.265 28.058 -3.739 0.00 0 341 A
|
||||
ATOM 830 C CD1 ? LEU Axp 114 ? 17.000 29.244 -2.786 0.00 0 341 A
|
||||
ATOM 831 C CD2 ? LEU Axp 114 ? 17.621 28.502 -5.177 0.00 0 341 A
|
||||
ATOM 856 C CB ? ALA Axp 117 ? 16.641 27.654 2.208 0.00 0 344 A
|
||||
ATOM 1503 C CA ? LEU Axp 202 ? 19.270 31.160 6.206 0.00 0 429 A
|
||||
ATOM 1504 C C ? LEU Axp 202 ? 20.726 31.628 6.075 0.00 0 429 A
|
||||
ATOM 1505 O O ? LEU Axp 202 ? 21.436 31.217 5.146 -3.21 0 429 A
|
||||
ATOM 1506 C CB ? LEU Axp 202 ? 18.358 32.297 5.678 0.00 0 429 A
|
||||
ATOM 1509 C CD2 ? LEU Axp 202 ? 16.995 30.754 4.286 0.00 0 429 A
|
||||
ATOM 1535 C C ? ILE Axp 205 ? 24.224 28.698 4.198 0.00 0 432 A
|
||||
ATOM 1537 C CB ? ILE Axp 205 ? 21.844 27.691 4.617 0.00 0 432 A
|
||||
ATOM 1539 C CG2 ? ILE Axp 205 ? 21.953 27.141 3.249 0.00 0 432 A
|
||||
ATOM 1540 C CD1 ? ILE Axp 205 ? 19.543 26.545 5.231 0.00 0 432 A
|
||||
ATOM 1541 N N ? ALA Axp 206 ? 24.014 29.985 3.998 0.00 0 433 A
|
||||
ATOM 1542 C CA ? ALA Axp 206 ? 24.748 30.821 3.023 0.00 0 433 A
|
||||
ATOM 1543 C C ? ALA Axp 206 ? 26.201 31.004 3.353 0.00 0 433 A
|
||||
ATOM 1544 O O ? ALA Axp 206 ? 26.983 31.382 2.492 -3.21 0 433 A
|
||||
ATOM 1545 C CB ? ALA Axp 206 ? 24.087 32.253 2.900 0.00 0 433 A
|
||||
ATOM 1783 O O ? GLU Axp 235 ? 28.595 34.381 -0.451 -0.95 0 462 A
|
||||
ATOM 1791 C C ? GLY Axp 236 ? 26.040 34.560 -2.661 0.00 0 463 A
|
||||
ATOM 1792 O O ? GLY Axp 236 ? 25.501 33.661 -3.290 -6.17 0 463 A
|
||||
ATOM 1793 N N ? CYS Axp 237 ? 25.399 35.253 -1.728 0.00 0 464 A
|
||||
ATOM 1794 C CA ? CYS Axp 237 ? 24.026 34.922 -1.329 0.00 0 464 A
|
||||
ATOM 1797 C CB ? CYS Axp 237 ? 23.762 35.291 0.152 0.00 0 464 A
|
||||
ATOM 1798 S SG ? CYS Axp 237 ? 22.030 35.316 0.634 0.00 0 464 A
|
||||
ATOM 1799 N N ? PRO Axp 238 ? 22.157 35.032 -2.930 0.00 0 465 A
|
||||
ATOM 1804 C CG ? PRO Axp 238 ? 21.078 33.317 -4.111 0.00 0 465 A
|
||||
ATOM 1805 C CD ? PRO Axp 238 ? 21.822 33.590 -2.836 0.00 0 465 A
|
||||
ATOM 1820 C CB ? VAL Axp 241 ? 18.354 33.953 -0.560 0.00 0 468 A
|
||||
ATOM 1821 C CG1 ? VAL Axp 241 ? 18.722 33.273 0.801 0.00 0 468 A
|
||||
ATOM 1822 C CG2 ? VAL Axp 241 ? 17.795 32.913 -1.514 0.00 0 468 A
|
||||
ATOM 2028 C CD1 ? PHE Axp 266 ? 14.325 29.916 -0.423 0.00 0 493 A
|
||||
ATOM 2030 C CE1 ? PHE Axp 266 ? 15.255 30.669 0.284 0.00 0 493 A
|
||||
ATOM 2032 C CZ ? PHE Axp 266 ? 14.987 31.067 1.550 0.00 0 493 A
|
||||
ATOM 797 N N ? ALA Axp 110 ? 25.276 26.616 -4.638 -1.51 0 337 A
|
||||
ATOM 798 C CA ? ALA Axp 110 ? 24.131 27.516 -4.659 0.00 0 337 A
|
||||
ATOM 799 C C ? ALA Axp 110 ? 22.743 26.831 -4.716 0.00 0 337 A
|
||||
ATOM 800 O O ? ALA Axp 110 ? 21.862 27.166 -3.931 -1.07 0 337 A
|
||||
ATOM 801 C CB ? ALA Axp 110 ? 24.277 28.499 -5.862 0.00 0 337 A
|
||||
ATOM 817 C CA ? LEU Axp 113 ? 21.830 25.699 -0.438 0.00 0 340 A
|
||||
ATOM 818 C C ? LEU Axp 113 ? 20.351 26.072 -0.464 0.00 0 340 A
|
||||
ATOM 819 O O ? LEU Axp 113 ? 19.663 26.116 0.542 -1.07 0 340 A
|
||||
ATOM 820 C CB ? LEU Axp 113 ? 22.728 26.946 -0.496 0.00 0 340 A
|
||||
ATOM 821 C CG ? LEU Axp 113 ? 24.241 26.609 -0.297 0.00 0 340 A
|
||||
ATOM 822 C CD1 ? LEU Axp 113 ? 25.012 27.872 -0.209 0.00 0 340 A
|
||||
ATOM 824 N N ? LEU Axp 114 ? 19.877 26.311 -1.669 0.00 0 341 A
|
||||
ATOM 825 C CA ? LEU Axp 114 ? 18.529 26.785 -1.887 0.00 0 341 A
|
||||
ATOM 827 O O ? LEU Axp 114 ? 16.580 25.881 -0.904 0.00 0 341 A
|
||||
ATOM 828 C CB ? LEU Axp 114 ? 18.476 27.301 -3.305 0.00 0 341 A
|
||||
ATOM 829 C CG ? LEU Axp 114 ? 17.265 28.058 -3.739 0.00 0 341 A
|
||||
ATOM 830 C CD1 ? LEU Axp 114 ? 17.000 29.244 -2.786 0.00 0 341 A
|
||||
ATOM 831 C CD2 ? LEU Axp 114 ? 17.621 28.502 -5.177 0.00 0 341 A
|
||||
ATOM 856 C CB ? ALA Axp 117 ? 16.641 27.654 2.208 0.00 0 344 A
|
||||
ATOM 1503 C CA ? LEU Axp 202 ? 19.270 31.160 6.206 0.00 0 429 A
|
||||
ATOM 1504 C C ? LEU Axp 202 ? 20.726 31.628 6.075 0.00 0 429 A
|
||||
ATOM 1505 O O ? LEU Axp 202 ? 21.436 31.217 5.146 -3.21 0 429 A
|
||||
ATOM 1506 C CB ? LEU Axp 202 ? 18.358 32.297 5.678 0.00 0 429 A
|
||||
ATOM 1509 C CD2 ? LEU Axp 202 ? 16.995 30.754 4.286 0.00 0 429 A
|
||||
ATOM 1535 C C ? ILE Axp 205 ? 24.224 28.698 4.198 0.00 0 432 A
|
||||
ATOM 1537 C CB ? ILE Axp 205 ? 21.844 27.691 4.617 0.00 0 432 A
|
||||
ATOM 1539 C CG2 ? ILE Axp 205 ? 21.953 27.141 3.249 0.00 0 432 A
|
||||
ATOM 1540 C CD1 ? ILE Axp 205 ? 19.543 26.545 5.231 0.00 0 432 A
|
||||
ATOM 1541 N N ? ALA Axp 206 ? 24.014 29.985 3.998 0.00 0 433 A
|
||||
ATOM 1542 C CA ? ALA Axp 206 ? 24.748 30.821 3.023 0.00 0 433 A
|
||||
ATOM 1543 C C ? ALA Axp 206 ? 26.201 31.004 3.353 0.00 0 433 A
|
||||
ATOM 1544 O O ? ALA Axp 206 ? 26.983 31.382 2.492 -3.21 0 433 A
|
||||
ATOM 1545 C CB ? ALA Axp 206 ? 24.087 32.253 2.900 0.00 0 433 A
|
||||
ATOM 1783 O O ? GLU Axp 235 ? 28.595 34.381 -0.451 -0.95 0 462 A
|
||||
ATOM 1791 C C ? GLY Axp 236 ? 26.040 34.560 -2.661 0.00 0 463 A
|
||||
ATOM 1792 O O ? GLY Axp 236 ? 25.501 33.661 -3.290 -6.17 0 463 A
|
||||
ATOM 1793 N N ? CYS Axp 237 ? 25.399 35.253 -1.728 0.00 0 464 A
|
||||
ATOM 1794 C CA ? CYS Axp 237 ? 24.026 34.922 -1.329 0.00 0 464 A
|
||||
ATOM 1797 C CB ? CYS Axp 237 ? 23.762 35.291 0.152 0.00 0 464 A
|
||||
ATOM 1798 S SG ? CYS Axp 237 ? 22.030 35.316 0.634 0.00 0 464 A
|
||||
ATOM 1799 N N ? PRO Axp 238 ? 22.157 35.032 -2.930 0.00 0 465 A
|
||||
ATOM 1804 C CG ? PRO Axp 238 ? 21.078 33.317 -4.111 0.00 0 465 A
|
||||
ATOM 1805 C CD ? PRO Axp 238 ? 21.822 33.590 -2.836 0.00 0 465 A
|
||||
ATOM 1820 C CB ? VAL Axp 241 ? 18.354 33.953 -0.560 0.00 0 468 A
|
||||
ATOM 1821 C CG1 ? VAL Axp 241 ? 18.722 33.273 0.801 0.00 0 468 A
|
||||
ATOM 1822 C CG2 ? VAL Axp 241 ? 17.795 32.913 -1.514 0.00 0 468 A
|
||||
ATOM 2028 C CD1 ? PHE Axp 266 ? 14.325 29.916 -0.423 0.00 0 493 A
|
||||
ATOM 2030 C CE1 ? PHE Axp 266 ? 15.255 30.669 0.284 0.00 0 493 A
|
||||
ATOM 2032 C CZ ? PHE Axp 266 ? 14.987 31.067 1.550 0.00 0 493 A
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 27:
|
||||
6 - Hydrophobicity Score : -21.2500
|
||||
7 - Polarity Score : 3
|
||||
8 - Amino Acid based volume Score : 3.7500
|
||||
9 - Pocket volume (Monte Carlo) : 231.2226
|
||||
9 - Pocket volume (Monte Carlo) : 242.5227
|
||||
10 -Pocket volume (convex hull) : 8.0231
|
||||
11 - Charge Score : -1
|
||||
12 - Local hydrophobic density Score : 8.0000
|
||||
@@ -39,20 +39,20 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 1256 C CA ? GLY Axp 171 ? 17.074 29.084 34.902 0.00 0 398 A
|
||||
ATOM 3772 C CB ? GLU Bxp 223 ? 20.899 28.443 38.451 0.00 0 450 B
|
||||
ATOM 3769 C CA ? GLU Bxp 223 ? 19.756 29.026 39.321 0.00 0 450 B
|
||||
ATOM 3800 O OE1 ? GLU Bxp 226 ? 14.870 27.408 38.360 -0.81 0 453 B
|
||||
ATOM 1258 O O ? GLY Axp 171 ? 17.211 27.237 33.384 0.00 0 398 A
|
||||
ATOM 3810 N NZ ? LYS Bxp 227 ? 18.871 22.046 40.724 0.00 0 454 B
|
||||
ATOM 3799 C CD ? GLU Bxp 226 ? 13.993 27.306 39.282 0.00 0 453 B
|
||||
ATOM 3798 C CG ? GLU Bxp 226 ? 14.425 27.213 40.755 0.00 0 453 B
|
||||
ATOM 3809 C CE ? LYS Bxp 227 ? 19.628 23.270 41.089 0.00 0 454 B
|
||||
ATOM 3774 C CD ? GLU Bxp 223 ? 21.775 28.184 36.070 0.00 0 450 B
|
||||
ATOM 3775 O OE1 ? GLU Bxp 223 ? 22.737 27.521 36.550 0.00 0 450 B
|
||||
ATOM 3771 O O ? GLU Bxp 223 ? 19.336 27.833 41.335 0.00 0 450 B
|
||||
ATOM 3797 C CB ? GLU Bxp 226 ? 15.576 28.210 41.069 0.00 0 453 B
|
||||
ATOM 3773 C CG ? GLU Bxp 223 ? 20.865 28.953 37.013 0.00 0 450 B
|
||||
ATOM 3808 C CD ? LYS Bxp 227 ? 19.254 23.527 42.569 0.00 0 454 B
|
||||
ATOM 3796 O O ? GLU Bxp 226 ? 15.035 26.681 43.850 0.00 0 453 B
|
||||
ATOM 1256 C CA ? GLY Axp 171 ? 17.074 29.084 34.902 0.00 0 398 A
|
||||
ATOM 3772 C CB ? GLU Bxp 223 ? 20.899 28.443 38.451 0.00 0 450 B
|
||||
ATOM 3769 C CA ? GLU Bxp 223 ? 19.756 29.026 39.321 0.00 0 450 B
|
||||
ATOM 3800 O OE1 ? GLU Bxp 226 ? 14.870 27.408 38.360 -0.81 0 453 B
|
||||
ATOM 1258 O O ? GLY Axp 171 ? 17.211 27.237 33.384 0.00 0 398 A
|
||||
ATOM 3810 N NZ ? LYS Bxp 227 ? 18.871 22.046 40.724 0.00 0 454 B
|
||||
ATOM 3799 C CD ? GLU Bxp 226 ? 13.993 27.306 39.282 0.00 0 453 B
|
||||
ATOM 3798 C CG ? GLU Bxp 226 ? 14.425 27.213 40.755 0.00 0 453 B
|
||||
ATOM 3809 C CE ? LYS Bxp 227 ? 19.628 23.270 41.089 0.00 0 454 B
|
||||
ATOM 3774 C CD ? GLU Bxp 223 ? 21.775 28.184 36.070 0.00 0 450 B
|
||||
ATOM 3775 O OE1 ? GLU Bxp 223 ? 22.737 27.521 36.550 0.00 0 450 B
|
||||
ATOM 3771 O O ? GLU Bxp 223 ? 19.336 27.833 41.335 0.00 0 450 B
|
||||
ATOM 3797 C CB ? GLU Bxp 226 ? 15.576 28.210 41.069 0.00 0 453 B
|
||||
ATOM 3773 C CG ? GLU Bxp 223 ? 20.865 28.953 37.013 0.00 0 450 B
|
||||
ATOM 3808 C CD ? LYS Bxp 227 ? 19.254 23.527 42.569 0.00 0 454 B
|
||||
ATOM 3796 O O ? GLU Bxp 226 ? 15.035 26.681 43.850 0.00 0 453 B
|
||||
#
|
||||
|
||||
@@ -17,31 +17,31 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 1256 C CA ? GLY Axp 171 ? 17.074 29.084 34.902 0.00 0 398 A
|
||||
ATOM 1257 C C ? GLY Axp 171 ? 16.881 28.422 33.539 0.00 0 398 A
|
||||
ATOM 1258 O O ? GLY Axp 171 ? 17.211 27.237 33.384 0.00 0 398 A
|
||||
ATOM 3768 N N ? GLU Bxp 223 ? 19.652 30.471 39.123 0.00 0 450 B
|
||||
ATOM 3769 C CA ? GLU Bxp 223 ? 19.756 29.026 39.321 0.00 0 450 B
|
||||
ATOM 3770 C C ? GLU Bxp 223 ? 19.994 28.706 40.771 0.00 0 450 B
|
||||
ATOM 3771 O O ? GLU Bxp 223 ? 19.336 27.833 41.335 0.00 0 450 B
|
||||
ATOM 3772 C CB ? GLU Bxp 223 ? 20.899 28.443 38.451 0.00 0 450 B
|
||||
ATOM 3773 C CG ? GLU Bxp 223 ? 20.865 28.953 37.013 0.00 0 450 B
|
||||
ATOM 3774 C CD ? GLU Bxp 223 ? 21.775 28.184 36.070 0.00 0 450 B
|
||||
ATOM 3775 O OE1 ? GLU Bxp 223 ? 22.737 27.521 36.550 0.00 0 450 B
|
||||
ATOM 3776 O OE2 ? GLU Bxp 223 ? 21.549 28.266 34.820 0.00 0 450 B
|
||||
ATOM 3794 C CA ? GLU Bxp 226 ? 15.782 28.535 42.552 0.00 0 453 B
|
||||
ATOM 3795 C C ? GLU Bxp 226 ? 16.011 27.275 43.405 0.00 0 453 B
|
||||
ATOM 3796 O O ? GLU Bxp 226 ? 15.035 26.681 43.850 0.00 0 453 B
|
||||
ATOM 3797 C CB ? GLU Bxp 226 ? 15.576 28.210 41.069 0.00 0 453 B
|
||||
ATOM 3798 C CG ? GLU Bxp 226 ? 14.425 27.213 40.755 0.00 0 453 B
|
||||
ATOM 3799 C CD ? GLU Bxp 226 ? 13.993 27.306 39.282 0.00 0 453 B
|
||||
ATOM 3800 O OE1 ? GLU Bxp 226 ? 14.870 27.408 38.360 -0.81 0 453 B
|
||||
ATOM 3801 O OE2 ? GLU Bxp 226 ? 12.770 27.280 39.032 -3.35 0 453 B
|
||||
ATOM 3802 N N ? LYS Bxp 227 ? 17.281 26.917 43.674 0.00 0 454 B
|
||||
ATOM 3803 C CA ? LYS Bxp 227 ? 17.638 25.810 44.612 0.00 0 454 B
|
||||
ATOM 3806 C CB ? LYS Bxp 227 ? 19.009 25.214 44.314 0.00 0 454 B
|
||||
ATOM 3807 C CG ? LYS Bxp 227 ? 19.331 24.982 42.891 0.00 0 454 B
|
||||
ATOM 3808 C CD ? LYS Bxp 227 ? 19.254 23.527 42.569 0.00 0 454 B
|
||||
ATOM 3809 C CE ? LYS Bxp 227 ? 19.628 23.270 41.089 0.00 0 454 B
|
||||
ATOM 3810 N NZ ? LYS Bxp 227 ? 18.871 22.046 40.724 0.00 0 454 B
|
||||
ATOM 1256 C CA ? GLY Axp 171 ? 17.074 29.084 34.902 0.00 0 398 A
|
||||
ATOM 1257 C C ? GLY Axp 171 ? 16.881 28.422 33.539 0.00 0 398 A
|
||||
ATOM 1258 O O ? GLY Axp 171 ? 17.211 27.237 33.384 0.00 0 398 A
|
||||
ATOM 3768 N N ? GLU Bxp 223 ? 19.652 30.471 39.123 0.00 0 450 B
|
||||
ATOM 3769 C CA ? GLU Bxp 223 ? 19.756 29.026 39.321 0.00 0 450 B
|
||||
ATOM 3770 C C ? GLU Bxp 223 ? 19.994 28.706 40.771 0.00 0 450 B
|
||||
ATOM 3771 O O ? GLU Bxp 223 ? 19.336 27.833 41.335 0.00 0 450 B
|
||||
ATOM 3772 C CB ? GLU Bxp 223 ? 20.899 28.443 38.451 0.00 0 450 B
|
||||
ATOM 3773 C CG ? GLU Bxp 223 ? 20.865 28.953 37.013 0.00 0 450 B
|
||||
ATOM 3774 C CD ? GLU Bxp 223 ? 21.775 28.184 36.070 0.00 0 450 B
|
||||
ATOM 3775 O OE1 ? GLU Bxp 223 ? 22.737 27.521 36.550 0.00 0 450 B
|
||||
ATOM 3776 O OE2 ? GLU Bxp 223 ? 21.549 28.266 34.820 0.00 0 450 B
|
||||
ATOM 3794 C CA ? GLU Bxp 226 ? 15.782 28.535 42.552 0.00 0 453 B
|
||||
ATOM 3795 C C ? GLU Bxp 226 ? 16.011 27.275 43.405 0.00 0 453 B
|
||||
ATOM 3796 O O ? GLU Bxp 226 ? 15.035 26.681 43.850 0.00 0 453 B
|
||||
ATOM 3797 C CB ? GLU Bxp 226 ? 15.576 28.210 41.069 0.00 0 453 B
|
||||
ATOM 3798 C CG ? GLU Bxp 226 ? 14.425 27.213 40.755 0.00 0 453 B
|
||||
ATOM 3799 C CD ? GLU Bxp 226 ? 13.993 27.306 39.282 0.00 0 453 B
|
||||
ATOM 3800 O OE1 ? GLU Bxp 226 ? 14.870 27.408 38.360 -0.81 0 453 B
|
||||
ATOM 3801 O OE2 ? GLU Bxp 226 ? 12.770 27.280 39.032 -3.35 0 453 B
|
||||
ATOM 3802 N N ? LYS Bxp 227 ? 17.281 26.917 43.674 0.00 0 454 B
|
||||
ATOM 3803 C CA ? LYS Bxp 227 ? 17.638 25.810 44.612 0.00 0 454 B
|
||||
ATOM 3806 C CB ? LYS Bxp 227 ? 19.009 25.214 44.314 0.00 0 454 B
|
||||
ATOM 3807 C CG ? LYS Bxp 227 ? 19.331 24.982 42.891 0.00 0 454 B
|
||||
ATOM 3808 C CD ? LYS Bxp 227 ? 19.254 23.527 42.569 0.00 0 454 B
|
||||
ATOM 3809 C CE ? LYS Bxp 227 ? 19.628 23.270 41.089 0.00 0 454 B
|
||||
ATOM 3810 N NZ ? LYS Bxp 227 ? 18.871 22.046 40.724 0.00 0 454 B
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 28:
|
||||
6 - Hydrophobicity Score : 47.8000
|
||||
7 - Polarity Score : 2
|
||||
8 - Amino Acid based volume Score : 4.6000
|
||||
9 - Pocket volume (Monte Carlo) : 150.8492
|
||||
9 - Pocket volume (Monte Carlo) : 152.2791
|
||||
10 -Pocket volume (convex hull) : 1.1933
|
||||
11 - Charge Score : -1
|
||||
12 - Local hydrophobic density Score : 5.0000
|
||||
@@ -39,16 +39,16 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 5155 C C ? ASN Cxp 131 ? 49.791 69.967 16.216 0.00 0 358 C
|
||||
ATOM 5164 O O ? PHE Cxp 132 ? 48.967 66.829 17.018 0.00 0 359 C
|
||||
ATOM 5154 C CA ? ASN Cxp 131 ? 49.335 70.969 17.293 0.00 0 358 C
|
||||
ATOM 5156 O O ? ASN Cxp 131 ? 49.458 70.110 15.000 -2.55 0 358 C
|
||||
ATOM 5177 C CG1 ? ILE Cxp 133 ? 46.547 66.252 14.171 0.00 0 360 C
|
||||
ATOM 5179 C CD1 ? ILE Cxp 133 ? 45.747 66.718 12.918 0.00 0 360 C
|
||||
ATOM 5159 O OD1 ? ASN Cxp 131 ? 46.848 72.862 17.330 0.00 0 358 C
|
||||
ATOM 5600 C CG1 ? ILE Cxp 191 ? 45.611 66.019 19.250 0.00 0 418 C
|
||||
ATOM 5129 O O ? GLU Cxp 128 ? 48.054 70.332 20.849 -1.48 0 355 C
|
||||
ATOM 5595 N N ? ILE Cxp 191 ? 43.539 65.578 16.244 0.00 0 418 C
|
||||
ATOM 5599 C CB ? ILE Cxp 191 ? 44.408 66.418 18.397 0.00 0 418 C
|
||||
ATOM 5601 C CG2 ? ILE Cxp 191 ? 43.280 67.132 19.172 0.00 0 418 C
|
||||
ATOM 5155 C C ? ASN Cxp 131 ? 49.791 69.967 16.216 0.00 0 358 C
|
||||
ATOM 5164 O O ? PHE Cxp 132 ? 48.967 66.829 17.018 0.00 0 359 C
|
||||
ATOM 5154 C CA ? ASN Cxp 131 ? 49.335 70.969 17.293 0.00 0 358 C
|
||||
ATOM 5156 O O ? ASN Cxp 131 ? 49.458 70.110 15.000 -2.55 0 358 C
|
||||
ATOM 5177 C CG1 ? ILE Cxp 133 ? 46.547 66.252 14.171 0.00 0 360 C
|
||||
ATOM 5179 C CD1 ? ILE Cxp 133 ? 45.747 66.718 12.918 0.00 0 360 C
|
||||
ATOM 5159 O OD1 ? ASN Cxp 131 ? 46.848 72.862 17.330 0.00 0 358 C
|
||||
ATOM 5600 C CG1 ? ILE Cxp 191 ? 45.611 66.019 19.250 0.00 0 418 C
|
||||
ATOM 5129 O O ? GLU Cxp 128 ? 48.054 70.332 20.849 -1.48 0 355 C
|
||||
ATOM 5595 N N ? ILE Cxp 191 ? 43.539 65.578 16.244 0.00 0 418 C
|
||||
ATOM 5599 C CB ? ILE Cxp 191 ? 44.408 66.418 18.397 0.00 0 418 C
|
||||
ATOM 5601 C CG2 ? ILE Cxp 191 ? 43.280 67.132 19.172 0.00 0 418 C
|
||||
#
|
||||
|
||||
@@ -17,28 +17,28 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 5121 O O ? LEU Cxp 127 ? 50.397 68.122 19.530 0.00 0 354 C
|
||||
ATOM 5127 C CA ? GLU Cxp 128 ? 48.268 67.988 21.395 0.00 0 355 C
|
||||
ATOM 5128 C C ? GLU Cxp 128 ? 48.593 69.482 21.560 0.00 0 355 C
|
||||
ATOM 5129 O O ? GLU Cxp 128 ? 48.054 70.332 20.849 -1.48 0 355 C
|
||||
ATOM 5153 N N ? ASN Cxp 131 ? 50.135 71.066 18.529 0.00 0 358 C
|
||||
ATOM 5154 C CA ? ASN Cxp 131 ? 49.335 70.969 17.293 0.00 0 358 C
|
||||
ATOM 5155 C C ? ASN Cxp 131 ? 49.791 69.967 16.216 0.00 0 358 C
|
||||
ATOM 5156 O O ? ASN Cxp 131 ? 49.458 70.110 15.000 -2.55 0 358 C
|
||||
ATOM 5157 C CB ? ASN Cxp 131 ? 49.099 72.344 16.675 0.00 0 358 C
|
||||
ATOM 5158 C CG ? ASN Cxp 131 ? 48.068 73.136 17.435 0.00 0 358 C
|
||||
ATOM 5159 O OD1 ? ASN Cxp 131 ? 46.848 72.862 17.330 0.00 0 358 C
|
||||
ATOM 5161 N N ? PHE Cxp 132 ? 50.528 68.950 16.668 0.00 0 359 C
|
||||
ATOM 5163 C C ? PHE Cxp 132 ? 49.677 66.798 16.013 0.00 0 359 C
|
||||
ATOM 5164 O O ? PHE Cxp 132 ? 48.967 66.829 17.018 0.00 0 359 C
|
||||
ATOM 5177 C CG1 ? ILE Cxp 133 ? 46.547 66.252 14.171 0.00 0 360 C
|
||||
ATOM 5179 C CD1 ? ILE Cxp 133 ? 45.747 66.718 12.918 0.00 0 360 C
|
||||
ATOM 5590 C CA ? SER Cxp 190 ? 42.695 65.333 13.987 0.00 0 417 C
|
||||
ATOM 5591 C C ? SER Cxp 190 ? 43.234 64.721 15.300 0.00 0 417 C
|
||||
ATOM 5593 C CB ? SER Cxp 190 ? 41.413 66.119 14.252 0.00 0 417 C
|
||||
ATOM 5595 N N ? ILE Cxp 191 ? 43.539 65.578 16.244 0.00 0 418 C
|
||||
ATOM 5596 C CA ? ILE Cxp 191 ? 43.914 65.163 17.570 0.00 0 418 C
|
||||
ATOM 5599 C CB ? ILE Cxp 191 ? 44.408 66.418 18.397 0.00 0 418 C
|
||||
ATOM 5600 C CG1 ? ILE Cxp 191 ? 45.611 66.019 19.250 0.00 0 418 C
|
||||
ATOM 5601 C CG2 ? ILE Cxp 191 ? 43.280 67.132 19.172 0.00 0 418 C
|
||||
ATOM 5121 O O ? LEU Cxp 127 ? 50.397 68.122 19.530 0.00 0 354 C
|
||||
ATOM 5127 C CA ? GLU Cxp 128 ? 48.268 67.988 21.395 0.00 0 355 C
|
||||
ATOM 5128 C C ? GLU Cxp 128 ? 48.593 69.482 21.560 0.00 0 355 C
|
||||
ATOM 5129 O O ? GLU Cxp 128 ? 48.054 70.332 20.849 -1.48 0 355 C
|
||||
ATOM 5153 N N ? ASN Cxp 131 ? 50.135 71.066 18.529 0.00 0 358 C
|
||||
ATOM 5154 C CA ? ASN Cxp 131 ? 49.335 70.969 17.293 0.00 0 358 C
|
||||
ATOM 5155 C C ? ASN Cxp 131 ? 49.791 69.967 16.216 0.00 0 358 C
|
||||
ATOM 5156 O O ? ASN Cxp 131 ? 49.458 70.110 15.000 -2.55 0 358 C
|
||||
ATOM 5157 C CB ? ASN Cxp 131 ? 49.099 72.344 16.675 0.00 0 358 C
|
||||
ATOM 5158 C CG ? ASN Cxp 131 ? 48.068 73.136 17.435 0.00 0 358 C
|
||||
ATOM 5159 O OD1 ? ASN Cxp 131 ? 46.848 72.862 17.330 0.00 0 358 C
|
||||
ATOM 5161 N N ? PHE Cxp 132 ? 50.528 68.950 16.668 0.00 0 359 C
|
||||
ATOM 5163 C C ? PHE Cxp 132 ? 49.677 66.798 16.013 0.00 0 359 C
|
||||
ATOM 5164 O O ? PHE Cxp 132 ? 48.967 66.829 17.018 0.00 0 359 C
|
||||
ATOM 5177 C CG1 ? ILE Cxp 133 ? 46.547 66.252 14.171 0.00 0 360 C
|
||||
ATOM 5179 C CD1 ? ILE Cxp 133 ? 45.747 66.718 12.918 0.00 0 360 C
|
||||
ATOM 5590 C CA ? SER Cxp 190 ? 42.695 65.333 13.987 0.00 0 417 C
|
||||
ATOM 5591 C C ? SER Cxp 190 ? 43.234 64.721 15.300 0.00 0 417 C
|
||||
ATOM 5593 C CB ? SER Cxp 190 ? 41.413 66.119 14.252 0.00 0 417 C
|
||||
ATOM 5595 N N ? ILE Cxp 191 ? 43.539 65.578 16.244 0.00 0 418 C
|
||||
ATOM 5596 C CA ? ILE Cxp 191 ? 43.914 65.163 17.570 0.00 0 418 C
|
||||
ATOM 5599 C CB ? ILE Cxp 191 ? 44.408 66.418 18.397 0.00 0 418 C
|
||||
ATOM 5600 C CG1 ? ILE Cxp 191 ? 45.611 66.019 19.250 0.00 0 418 C
|
||||
ATOM 5601 C CG2 ? ILE Cxp 191 ? 43.280 67.132 19.172 0.00 0 418 C
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 29:
|
||||
6 - Hydrophobicity Score : 23.8333
|
||||
7 - Polarity Score : 7
|
||||
8 - Amino Acid based volume Score : 4.0833
|
||||
9 - Pocket volume (Monte Carlo) : 295.5270
|
||||
9 - Pocket volume (Monte Carlo) : 287.3492
|
||||
10 -Pocket volume (convex hull) : 12.3014
|
||||
11 - Charge Score : -2
|
||||
12 - Local hydrophobic density Score : 4.0000
|
||||
@@ -39,22 +39,22 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 633 C CE1 ? PHE Axp 90 ? 23.219 7.620 12.523 0.00 0 317 A
|
||||
ATOM 115 C CD2 ? LEU Axp 21 ? 23.833 8.296 15.998 0.00 0 248 A
|
||||
ATOM 116 N N ? GLY Axp 22 ? 26.977 10.989 17.772 0.00 0 249 A
|
||||
ATOM 664 C CA ? GLY Axp 94 ? 24.159 13.940 10.732 0.00 0 321 A
|
||||
ATOM 148 O OH ? TYR Axp 26 ? 24.138 15.654 15.314 0.00 0 253 A
|
||||
ATOM 667 N N ? ASN Axp 95 ? 23.996 16.143 11.694 0.00 0 322 A
|
||||
ATOM 673 O OD1 ? ASN Axp 95 ? 25.880 18.114 13.960 -2.14 0 322 A
|
||||
ATOM 135 O OE1 ? GLN Axp 25 ? 27.558 15.740 17.545 -2.14 0 252 A
|
||||
ATOM 117 C CA ? GLY Axp 22 ? 27.711 12.259 17.704 0.00 0 249 A
|
||||
ATOM 635 C CZ ? PHE Axp 90 ? 23.754 7.359 11.279 0.00 0 317 A
|
||||
ATOM 639 O O ? MET Axp 91 ? 22.317 10.826 9.705 0.00 0 318 A
|
||||
ATOM 647 O O ? THR Axp 92 ? 25.377 10.176 8.230 0.00 0 319 A
|
||||
ATOM 698 O OD2 ? ASP Axp 98 ? 28.581 18.421 13.874 0.00 0 325 A
|
||||
ATOM 695 C CB ? ASP Axp 98 ? 28.818 18.983 11.564 0.00 0 325 A
|
||||
ATOM 654 O O ? TYR Axp 93 ? 25.886 14.436 8.543 -2.95 0 320 A
|
||||
ATOM 737 O OE1 ? GLU Axp 102 ? 31.683 16.733 9.180 0.00 0 329 A
|
||||
ATOM 738 O OE2 ? GLU Axp 102 ? 32.646 17.951 10.762 -1.88 0 329 A
|
||||
ATOM 145 C CE1 ? TYR Axp 26 ? 24.215 14.118 17.108 0.00 0 253 A
|
||||
ATOM 633 C CE1 ? PHE Axp 90 ? 23.219 7.620 12.523 0.00 0 317 A
|
||||
ATOM 115 C CD2 ? LEU Axp 21 ? 23.833 8.296 15.998 0.00 0 248 A
|
||||
ATOM 116 N N ? GLY Axp 22 ? 26.977 10.989 17.772 0.00 0 249 A
|
||||
ATOM 664 C CA ? GLY Axp 94 ? 24.159 13.940 10.732 0.00 0 321 A
|
||||
ATOM 148 O OH ? TYR Axp 26 ? 24.138 15.654 15.314 0.00 0 253 A
|
||||
ATOM 667 N N ? ASN Axp 95 ? 23.996 16.143 11.694 0.00 0 322 A
|
||||
ATOM 673 O OD1 ? ASN Axp 95 ? 25.880 18.114 13.960 -2.14 0 322 A
|
||||
ATOM 135 O OE1 ? GLN Axp 25 ? 27.558 15.740 17.545 -2.14 0 252 A
|
||||
ATOM 117 C CA ? GLY Axp 22 ? 27.711 12.259 17.704 0.00 0 249 A
|
||||
ATOM 635 C CZ ? PHE Axp 90 ? 23.754 7.359 11.279 0.00 0 317 A
|
||||
ATOM 639 O O ? MET Axp 91 ? 22.317 10.826 9.705 0.00 0 318 A
|
||||
ATOM 647 O O ? THR Axp 92 ? 25.377 10.176 8.230 0.00 0 319 A
|
||||
ATOM 698 O OD2 ? ASP Axp 98 ? 28.581 18.421 13.874 0.00 0 325 A
|
||||
ATOM 695 C CB ? ASP Axp 98 ? 28.818 18.983 11.564 0.00 0 325 A
|
||||
ATOM 654 O O ? TYR Axp 93 ? 25.886 14.436 8.543 -2.95 0 320 A
|
||||
ATOM 737 O OE1 ? GLU Axp 102 ? 31.683 16.733 9.180 0.00 0 329 A
|
||||
ATOM 738 O OE2 ? GLU Axp 102 ? 32.646 17.951 10.762 -1.88 0 329 A
|
||||
ATOM 145 C CE1 ? TYR Axp 26 ? 24.215 14.118 17.108 0.00 0 253 A
|
||||
#
|
||||
|
||||
@@ -17,39 +17,39 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 109 C CA ? LEU Axp 21 ? 25.411 9.365 18.618 0.00 0 248 A
|
||||
ATOM 110 C C ? LEU Axp 21 ? 26.217 10.637 18.809 0.00 0 248 A
|
||||
ATOM 112 C CB ? LEU Axp 21 ? 24.055 9.763 18.043 0.00 0 248 A
|
||||
ATOM 113 C CG ? LEU Axp 21 ? 23.240 8.692 17.348 0.00 0 248 A
|
||||
ATOM 115 C CD2 ? LEU Axp 21 ? 23.833 8.296 15.998 0.00 0 248 A
|
||||
ATOM 116 N N ? GLY Axp 22 ? 26.977 10.989 17.772 0.00 0 249 A
|
||||
ATOM 117 C CA ? GLY Axp 22 ? 27.711 12.259 17.704 0.00 0 249 A
|
||||
ATOM 134 C CD ? GLN Axp 25 ? 26.983 16.776 17.929 0.00 0 252 A
|
||||
ATOM 135 O OE1 ? GLN Axp 25 ? 27.558 15.740 17.545 -2.14 0 252 A
|
||||
ATOM 136 N NE2 ? GLN Axp 25 ? 26.655 17.754 17.106 -1.51 0 252 A
|
||||
ATOM 143 C CD1 ? TYR Axp 26 ? 23.817 13.724 18.368 0.00 0 253 A
|
||||
ATOM 145 C CE1 ? TYR Axp 26 ? 24.215 14.118 17.108 0.00 0 253 A
|
||||
ATOM 147 C CZ ? TYR Axp 26 ? 23.727 15.310 16.576 0.00 0 253 A
|
||||
ATOM 148 O OH ? TYR Axp 26 ? 24.138 15.654 15.314 0.00 0 253 A
|
||||
ATOM 633 C CE1 ? PHE Axp 90 ? 23.219 7.620 12.523 0.00 0 317 A
|
||||
ATOM 635 C CZ ? PHE Axp 90 ? 23.754 7.359 11.279 0.00 0 317 A
|
||||
ATOM 639 O O ? MET Axp 91 ? 22.317 10.826 9.705 0.00 0 318 A
|
||||
ATOM 646 C C ? THR Axp 92 ? 24.325 10.445 7.647 0.00 0 319 A
|
||||
ATOM 647 O O ? THR Axp 92 ? 25.377 10.176 8.230 0.00 0 319 A
|
||||
ATOM 653 C C ? TYR Axp 93 ? 25.046 13.581 8.441 0.00 0 320 A
|
||||
ATOM 654 O O ? TYR Axp 93 ? 25.886 14.436 8.543 -2.95 0 320 A
|
||||
ATOM 663 N N ? GLY Axp 94 ? 24.175 13.288 9.414 0.00 0 321 A
|
||||
ATOM 664 C CA ? GLY Axp 94 ? 24.159 13.940 10.732 0.00 0 321 A
|
||||
ATOM 665 C C ? GLY Axp 94 ? 23.592 15.331 10.711 0.00 0 321 A
|
||||
ATOM 667 N N ? ASN Axp 95 ? 23.996 16.143 11.694 0.00 0 322 A
|
||||
ATOM 668 C CA ? ASN Axp 95 ? 23.482 17.523 11.792 0.00 0 322 A
|
||||
ATOM 670 O O ? ASN Axp 95 ? 25.129 18.291 10.166 0.00 0 322 A
|
||||
ATOM 672 C CG ? ASN Axp 95 ? 24.977 18.738 13.399 0.00 0 322 A
|
||||
ATOM 673 O OD1 ? ASN Axp 95 ? 25.880 18.114 13.960 -2.14 0 322 A
|
||||
ATOM 695 C CB ? ASP Axp 98 ? 28.818 18.983 11.564 0.00 0 325 A
|
||||
ATOM 696 C CG ? ASP Axp 98 ? 28.941 19.302 13.063 0.00 0 325 A
|
||||
ATOM 698 O OD2 ? ASP Axp 98 ? 28.581 18.421 13.874 0.00 0 325 A
|
||||
ATOM 736 C CD ? GLU Axp 102 ? 32.361 17.729 9.573 0.00 0 329 A
|
||||
ATOM 737 O OE1 ? GLU Axp 102 ? 31.683 16.733 9.180 0.00 0 329 A
|
||||
ATOM 738 O OE2 ? GLU Axp 102 ? 32.646 17.951 10.762 -1.88 0 329 A
|
||||
ATOM 109 C CA ? LEU Axp 21 ? 25.411 9.365 18.618 0.00 0 248 A
|
||||
ATOM 110 C C ? LEU Axp 21 ? 26.217 10.637 18.809 0.00 0 248 A
|
||||
ATOM 112 C CB ? LEU Axp 21 ? 24.055 9.763 18.043 0.00 0 248 A
|
||||
ATOM 113 C CG ? LEU Axp 21 ? 23.240 8.692 17.348 0.00 0 248 A
|
||||
ATOM 115 C CD2 ? LEU Axp 21 ? 23.833 8.296 15.998 0.00 0 248 A
|
||||
ATOM 116 N N ? GLY Axp 22 ? 26.977 10.989 17.772 0.00 0 249 A
|
||||
ATOM 117 C CA ? GLY Axp 22 ? 27.711 12.259 17.704 0.00 0 249 A
|
||||
ATOM 134 C CD ? GLN Axp 25 ? 26.983 16.776 17.929 0.00 0 252 A
|
||||
ATOM 135 O OE1 ? GLN Axp 25 ? 27.558 15.740 17.545 -2.14 0 252 A
|
||||
ATOM 136 N NE2 ? GLN Axp 25 ? 26.655 17.754 17.106 -1.51 0 252 A
|
||||
ATOM 143 C CD1 ? TYR Axp 26 ? 23.817 13.724 18.368 0.00 0 253 A
|
||||
ATOM 145 C CE1 ? TYR Axp 26 ? 24.215 14.118 17.108 0.00 0 253 A
|
||||
ATOM 147 C CZ ? TYR Axp 26 ? 23.727 15.310 16.576 0.00 0 253 A
|
||||
ATOM 148 O OH ? TYR Axp 26 ? 24.138 15.654 15.314 0.00 0 253 A
|
||||
ATOM 633 C CE1 ? PHE Axp 90 ? 23.219 7.620 12.523 0.00 0 317 A
|
||||
ATOM 635 C CZ ? PHE Axp 90 ? 23.754 7.359 11.279 0.00 0 317 A
|
||||
ATOM 639 O O ? MET Axp 91 ? 22.317 10.826 9.705 0.00 0 318 A
|
||||
ATOM 646 C C ? THR Axp 92 ? 24.325 10.445 7.647 0.00 0 319 A
|
||||
ATOM 647 O O ? THR Axp 92 ? 25.377 10.176 8.230 0.00 0 319 A
|
||||
ATOM 653 C C ? TYR Axp 93 ? 25.046 13.581 8.441 0.00 0 320 A
|
||||
ATOM 654 O O ? TYR Axp 93 ? 25.886 14.436 8.543 -2.95 0 320 A
|
||||
ATOM 663 N N ? GLY Axp 94 ? 24.175 13.288 9.414 0.00 0 321 A
|
||||
ATOM 664 C CA ? GLY Axp 94 ? 24.159 13.940 10.732 0.00 0 321 A
|
||||
ATOM 665 C C ? GLY Axp 94 ? 23.592 15.331 10.711 0.00 0 321 A
|
||||
ATOM 667 N N ? ASN Axp 95 ? 23.996 16.143 11.694 0.00 0 322 A
|
||||
ATOM 668 C CA ? ASN Axp 95 ? 23.482 17.523 11.792 0.00 0 322 A
|
||||
ATOM 670 O O ? ASN Axp 95 ? 25.129 18.291 10.166 0.00 0 322 A
|
||||
ATOM 672 C CG ? ASN Axp 95 ? 24.977 18.738 13.399 0.00 0 322 A
|
||||
ATOM 673 O OD1 ? ASN Axp 95 ? 25.880 18.114 13.960 -2.14 0 322 A
|
||||
ATOM 695 C CB ? ASP Axp 98 ? 28.818 18.983 11.564 0.00 0 325 A
|
||||
ATOM 696 C CG ? ASP Axp 98 ? 28.941 19.302 13.063 0.00 0 325 A
|
||||
ATOM 698 O OD2 ? ASP Axp 98 ? 28.581 18.421 13.874 0.00 0 325 A
|
||||
ATOM 736 C CD ? GLU Axp 102 ? 32.361 17.729 9.573 0.00 0 329 A
|
||||
ATOM 737 O OE1 ? GLU Axp 102 ? 31.683 16.733 9.180 0.00 0 329 A
|
||||
ATOM 738 O OE2 ? GLU Axp 102 ? 32.646 17.951 10.762 -1.88 0 329 A
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 2:
|
||||
6 - Hydrophobicity Score : 37.0000
|
||||
7 - Polarity Score : 16
|
||||
8 - Amino Acid based volume Score : 4.1892
|
||||
9 - Pocket volume (Monte Carlo) : 1429.0139
|
||||
9 - Pocket volume (Monte Carlo) : 1485.1832
|
||||
10 -Pocket volume (convex hull) : 979.8676
|
||||
11 - Charge Score : -2
|
||||
12 - Local hydrophobic density Score : 59.3440
|
||||
@@ -39,104 +39,104 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 6631 O OE1 ? GLU Dxp 55 ? 52.035 10.097 57.244 0.00 0 282 D
|
||||
ATOM 6656 C CB ? LYS Dxp 58 ? 55.399 5.853 55.510 0.00 0 285 D
|
||||
ATOM 6682 C CG2 ? VAL Dxp 62 ? 54.426 5.381 50.458 0.00 0 289 D
|
||||
ATOM 6657 N N ? GLU Dxp 59 ? 57.037 7.697 53.496 0.00 0 286 D
|
||||
ATOM 6663 C CD ? GLU Dxp 59 ? 57.497 12.310 51.368 0.00 0 286 D
|
||||
ATOM 7425 C CA ? GLY Dxp 156 ? 53.352 17.790 52.036 0.00 0 383 D
|
||||
ATOM 7412 O OD2 ? ASP Dxp 154 ? 51.451 13.986 48.870 -1.62 0 381 D
|
||||
ATOM 6664 O OE1 ? GLU Dxp 59 ? 57.674 12.906 52.458 -2.28 0 286 D
|
||||
ATOM 6658 C CA ? GLU Dxp 59 ? 57.186 8.499 52.273 0.00 0 286 D
|
||||
ATOM 7239 C CD2 ? PHE Dxp 132 ? 50.695 4.565 46.284 0.00 0 359 D
|
||||
ATOM 6713 C CD1 ? ILE Dxp 66 ? 54.653 7.398 44.141 0.00 0 293 D
|
||||
ATOM 7196 C CD2 ? LEU Dxp 127 ? 50.885 7.312 42.017 0.00 0 354 D
|
||||
ATOM 7236 C CB ? PHE Dxp 132 ? 48.964 5.452 44.735 0.00 0 359 D
|
||||
ATOM 6926 C CA ? GLY Dxp 94 ? 60.034 24.932 39.574 0.00 0 321 D
|
||||
ATOM 6395 N N ? GLY Dxp 22 ? 63.445 27.361 46.787 -2.19 0 249 D
|
||||
ATOM 6396 C CA ? GLY Dxp 22 ? 62.352 28.355 46.720 0.00 0 249 D
|
||||
ATOM 6424 C CE1 ? TYR Dxp 26 ? 59.877 24.854 46.075 0.00 0 253 D
|
||||
ATOM 6897 C CZ ? PHE Dxp 90 ? 66.475 23.808 40.403 0.00 0 317 D
|
||||
ATOM 6909 O O ? THR Dxp 92 ? 63.997 25.572 36.851 0.00 0 319 D
|
||||
ATOM 6925 N N ? GLY Dxp 94 ? 60.701 24.762 38.280 0.00 0 321 D
|
||||
ATOM 7409 C CB ? ASP Dxp 154 ? 52.864 14.692 47.175 0.00 0 381 D
|
||||
ATOM 6751 C CD2 ? LEU Dxp 71 ? 53.389 10.979 40.449 0.00 0 298 D
|
||||
ATOM 7258 C CD2 ? HIS Dxp 134 ? 49.543 13.548 43.730 0.00 0 361 D
|
||||
ATOM 6654 C C ? LYS Dxp 58 ? 56.799 6.379 53.467 0.00 0 285 D
|
||||
ATOM 7424 N N ? GLY Dxp 156 ? 53.836 17.822 50.662 0.00 0 383 D
|
||||
ATOM 7408 O O ? ASP Dxp 154 ? 55.352 15.791 48.188 0.00 0 381 D
|
||||
ATOM 6572 N NZ ? LYS Dxp 44 ? 57.996 15.644 52.375 -3.28 0 271 D
|
||||
ATOM 6662 C CG ? GLU Dxp 59 ? 57.119 10.830 51.310 0.00 0 286 D
|
||||
ATOM 6661 C CB ? GLU Dxp 59 ? 57.413 9.994 52.562 0.00 0 286 D
|
||||
ATOM 6629 C CG ? GLU Dxp 55 ? 54.143 11.051 57.889 0.00 0 282 D
|
||||
ATOM 6665 O OE2 ? GLU Dxp 59 ? 57.595 12.886 50.275 0.00 0 286 D
|
||||
ATOM 6570 C CD ? LYS Dxp 44 ? 60.499 15.433 51.975 0.00 0 271 D
|
||||
ATOM 6689 S SD ? MET Dxp 63 ? 59.342 10.341 47.098 0.00 0 290 D
|
||||
ATOM 6447 C CG2 ? VAL Dxp 29 ? 61.867 19.746 50.754 0.00 0 256 D
|
||||
ATOM 7414 C CA ? PHE Dxp 155 ? 55.356 18.410 48.844 0.00 0 382 D
|
||||
ATOM 7416 O O ? PHE Dxp 155 ? 55.635 19.113 51.089 -1.07 0 382 D
|
||||
ATOM 6571 C CE ? LYS Dxp 44 ? 59.381 16.004 52.877 0.00 0 271 D
|
||||
ATOM 6681 C CG1 ? VAL Dxp 62 ? 53.788 5.636 48.109 0.00 0 289 D
|
||||
ATOM 7329 C CD1 ? LEU Dxp 143 ? 59.244 18.841 41.193 0.00 0 370 D
|
||||
ATOM 6758 C CG2 ? VAL Dxp 72 ? 60.178 15.150 41.326 0.00 0 299 D
|
||||
ATOM 6876 O OG1 ? THR Dxp 88 ? 63.295 15.440 44.108 0.00 0 315 D
|
||||
ATOM 7422 C CE2 ? PHE Dxp 155 ? 57.327 18.902 44.964 0.00 0 382 D
|
||||
ATOM 7402 C C ? ALA Dxp 153 ? 53.826 15.699 44.308 0.00 0 380 D
|
||||
ATOM 7401 C CA ? ALA Dxp 153 ? 54.851 15.556 43.189 0.00 0 380 D
|
||||
ATOM 6757 C CG1 ? VAL Dxp 72 ? 58.423 13.974 42.618 0.00 0 299 D
|
||||
ATOM 7195 C CD1 ? LEU Dxp 127 ? 49.551 9.478 41.993 0.00 0 354 D
|
||||
ATOM 6755 O O ? VAL Dxp 72 ? 59.541 11.227 41.576 -7.50 0 299 D
|
||||
ATOM 6748 C CB ? LEU Dxp 71 ? 55.487 10.215 39.179 0.00 0 298 D
|
||||
ATOM 6711 C CG1 ? ILE Dxp 66 ? 55.748 6.675 43.366 0.00 0 293 D
|
||||
ATOM 6752 N N ? VAL Dxp 72 ? 57.585 12.696 39.928 -1.09 0 299 D
|
||||
ATOM 6627 O O ? GLU Dxp 55 ? 56.504 9.379 56.126 -3.21 0 282 D
|
||||
ATOM 6427 O OH ? TYR Dxp 26 ? 58.288 24.914 44.228 -2.14 0 253 D
|
||||
ATOM 6414 O OE1 ? GLN Dxp 25 ? 58.455 28.443 46.071 -5.09 0 252 D
|
||||
ATOM 6929 N N ? ASN Dxp 95 ? 57.778 24.953 40.502 -2.19 0 322 D
|
||||
ATOM 6935 O OD1 ? ASN Dxp 95 ? 56.159 26.889 42.866 -2.14 0 322 D
|
||||
ATOM 6960 O OD2 ? ASP Dxp 98 ? 55.820 29.536 42.600 -2.55 0 325 D
|
||||
ATOM 6957 C CB ? ASP Dxp 98 ? 55.535 30.185 40.403 0.00 0 325 D
|
||||
ATOM 6916 O O ? TYR Dxp 93 ? 59.826 26.639 37.454 0.00 0 320 D
|
||||
ATOM 7420 C CD2 ? PHE Dxp 155 ? 56.995 18.870 46.332 0.00 0 382 D
|
||||
ATOM 6446 C CG1 ? VAL Dxp 29 ? 63.424 19.965 48.777 0.00 0 256 D
|
||||
ATOM 6420 C CB ? TYR Dxp 26 ? 59.704 22.984 49.387 0.00 0 253 D
|
||||
ATOM 7404 C CB ? ALA Dxp 153 ? 55.891 16.596 43.353 0.00 0 380 D
|
||||
ATOM 6555 O O ? ALA Dxp 42 ? 66.250 15.967 46.440 0.00 0 269 D
|
||||
ATOM 6564 N N ? LYS Dxp 44 ? 65.071 16.285 50.374 0.00 0 271 D
|
||||
ATOM 6688 C CG ? MET Dxp 63 ? 58.233 8.978 46.901 0.00 0 290 D
|
||||
ATOM 6680 C CB ? VAL Dxp 62 ? 54.934 5.664 49.113 0.00 0 289 D
|
||||
ATOM 6660 O O ? GLU Dxp 59 ? 57.982 7.657 50.173 0.00 0 286 D
|
||||
ATOM 6556 C CB ? ALA Dxp 42 ? 64.982 18.340 44.987 0.00 0 269 D
|
||||
ATOM 6881 O O ? GLU Dxp 89 ? 64.168 16.713 41.645 0.00 0 316 D
|
||||
ATOM 6898 N N ? MET Dxp 91 ? 63.736 19.963 39.260 0.00 0 318 D
|
||||
ATOM 6393 C CD1 ? LEU Dxp 21 ? 64.675 22.066 45.945 0.00 0 248 D
|
||||
ATOM 6888 C CA ? PHE Dxp 90 ? 65.499 18.836 40.501 0.00 0 317 D
|
||||
ATOM 6394 C CD2 ? LEU Dxp 21 ? 66.139 23.878 45.329 0.00 0 248 D
|
||||
ATOM 6376 C CE1 ? HIS Dxp 19 ? 68.713 27.227 46.138 0.00 0 246 D
|
||||
ATOM 6893 C CD1 ? PHE Dxp 90 ? 66.360 21.823 41.727 0.00 0 317 D
|
||||
ATOM 6901 O O ? MET Dxp 91 ? 63.034 22.679 38.496 0.00 0 318 D
|
||||
ATOM 6877 C CG2 ? THR Dxp 88 ? 62.489 13.239 44.727 0.00 0 315 D
|
||||
ATOM 6861 C CG2 ? ILE Dxp 86 ? 62.965 11.227 49.042 0.00 0 313 D
|
||||
ATOM 7405 N N ? ASP Dxp 154 ? 54.325 15.719 45.523 0.00 0 381 D
|
||||
ATOM 6426 C CZ ? TYR Dxp 26 ? 58.649 24.458 45.487 0.00 0 253 D
|
||||
ATOM 7330 C CD2 ? LEU Dxp 143 ? 58.782 21.410 41.356 0.00 0 370 D
|
||||
ATOM 6421 C CG ? TYR Dxp 26 ? 59.341 23.509 48.032 0.00 0 253 D
|
||||
ATOM 6423 C CD2 ? TYR Dxp 26 ? 58.135 23.117 47.412 0.00 0 253 D
|
||||
ATOM 6422 C CD1 ? TYR Dxp 26 ? 60.183 24.385 47.362 0.00 0 253 D
|
||||
ATOM 6425 C CE2 ? TYR Dxp 26 ? 57.795 23.589 46.140 0.00 0 253 D
|
||||
ATOM 7423 C CZ ? PHE Dxp 155 ? 56.783 19.883 44.153 0.00 0 382 D
|
||||
ATOM 7417 C CB ? PHE Dxp 155 ? 55.748 19.792 48.329 0.00 0 382 D
|
||||
ATOM 7396 O O ? VAL Dxp 152 ? 55.001 14.074 40.818 0.00 0 379 D
|
||||
ATOM 6690 C CE ? MET Dxp 63 ? 59.360 10.409 48.847 0.00 0 290 D
|
||||
ATOM 6915 C C ? TYR Dxp 93 ? 60.588 25.697 37.338 0.00 0 320 D
|
||||
ATOM 6391 C CB ? LEU Dxp 21 ? 64.362 24.273 46.981 0.00 0 248 D
|
||||
ATOM 6895 C CE1 ? PHE Dxp 90 ? 66.251 23.209 41.616 0.00 0 317 D
|
||||
ATOM 6467 O OE1 ? GLU Dxp 31 ? 70.105 25.647 44.001 0.00 0 258 D
|
||||
ATOM 7246 O O ? ILE Dxp 133 ? 47.623 9.183 47.095 0.00 0 360 D
|
||||
ATOM 6858 O O ? ILE Dxp 86 ? 65.641 13.840 49.353 0.00 0 313 D
|
||||
ATOM 7252 C CA ? HIS Dxp 134 ? 47.370 11.498 45.668 0.00 0 361 D
|
||||
ATOM 7254 O O ? HIS Dxp 134 ? 47.812 12.555 47.804 0.00 0 361 D
|
||||
ATOM 7403 O O ? ALA Dxp 153 ? 52.619 15.769 44.076 0.00 0 380 D
|
||||
ATOM 6568 C CB ? LYS Dxp 44 ? 62.898 15.688 51.283 0.00 0 271 D
|
||||
ATOM 7260 N NE2 ? HIS Dxp 134 ? 50.218 14.635 44.230 0.00 0 361 D
|
||||
ATOM 6631 O OE1 ? GLU Dxp 55 ? 52.035 10.097 57.244 0.00 0 282 D
|
||||
ATOM 6656 C CB ? LYS Dxp 58 ? 55.399 5.853 55.510 0.00 0 285 D
|
||||
ATOM 6682 C CG2 ? VAL Dxp 62 ? 54.426 5.381 50.458 0.00 0 289 D
|
||||
ATOM 6657 N N ? GLU Dxp 59 ? 57.037 7.697 53.496 0.00 0 286 D
|
||||
ATOM 6663 C CD ? GLU Dxp 59 ? 57.497 12.310 51.368 0.00 0 286 D
|
||||
ATOM 7425 C CA ? GLY Dxp 156 ? 53.352 17.790 52.036 0.00 0 383 D
|
||||
ATOM 7412 O OD2 ? ASP Dxp 154 ? 51.451 13.986 48.870 -1.62 0 381 D
|
||||
ATOM 6664 O OE1 ? GLU Dxp 59 ? 57.674 12.906 52.458 -2.28 0 286 D
|
||||
ATOM 6658 C CA ? GLU Dxp 59 ? 57.186 8.499 52.273 0.00 0 286 D
|
||||
ATOM 7239 C CD2 ? PHE Dxp 132 ? 50.695 4.565 46.284 0.00 0 359 D
|
||||
ATOM 6713 C CD1 ? ILE Dxp 66 ? 54.653 7.398 44.141 0.00 0 293 D
|
||||
ATOM 7196 C CD2 ? LEU Dxp 127 ? 50.885 7.312 42.017 0.00 0 354 D
|
||||
ATOM 7236 C CB ? PHE Dxp 132 ? 48.964 5.452 44.735 0.00 0 359 D
|
||||
ATOM 6926 C CA ? GLY Dxp 94 ? 60.034 24.932 39.574 0.00 0 321 D
|
||||
ATOM 6395 N N ? GLY Dxp 22 ? 63.445 27.361 46.787 -2.19 0 249 D
|
||||
ATOM 6396 C CA ? GLY Dxp 22 ? 62.352 28.355 46.720 0.00 0 249 D
|
||||
ATOM 6424 C CE1 ? TYR Dxp 26 ? 59.877 24.854 46.075 0.00 0 253 D
|
||||
ATOM 6897 C CZ ? PHE Dxp 90 ? 66.475 23.808 40.403 0.00 0 317 D
|
||||
ATOM 6909 O O ? THR Dxp 92 ? 63.997 25.572 36.851 0.00 0 319 D
|
||||
ATOM 6925 N N ? GLY Dxp 94 ? 60.701 24.762 38.280 0.00 0 321 D
|
||||
ATOM 7409 C CB ? ASP Dxp 154 ? 52.864 14.692 47.175 0.00 0 381 D
|
||||
ATOM 6751 C CD2 ? LEU Dxp 71 ? 53.389 10.979 40.449 0.00 0 298 D
|
||||
ATOM 7258 C CD2 ? HIS Dxp 134 ? 49.543 13.548 43.730 0.00 0 361 D
|
||||
ATOM 6654 C C ? LYS Dxp 58 ? 56.799 6.379 53.467 0.00 0 285 D
|
||||
ATOM 7424 N N ? GLY Dxp 156 ? 53.836 17.822 50.662 0.00 0 383 D
|
||||
ATOM 7408 O O ? ASP Dxp 154 ? 55.352 15.791 48.188 0.00 0 381 D
|
||||
ATOM 6572 N NZ ? LYS Dxp 44 ? 57.996 15.644 52.375 -3.28 0 271 D
|
||||
ATOM 6662 C CG ? GLU Dxp 59 ? 57.119 10.830 51.310 0.00 0 286 D
|
||||
ATOM 6661 C CB ? GLU Dxp 59 ? 57.413 9.994 52.562 0.00 0 286 D
|
||||
ATOM 6629 C CG ? GLU Dxp 55 ? 54.143 11.051 57.889 0.00 0 282 D
|
||||
ATOM 6665 O OE2 ? GLU Dxp 59 ? 57.595 12.886 50.275 0.00 0 286 D
|
||||
ATOM 6570 C CD ? LYS Dxp 44 ? 60.499 15.433 51.975 0.00 0 271 D
|
||||
ATOM 6689 S SD ? MET Dxp 63 ? 59.342 10.341 47.098 0.00 0 290 D
|
||||
ATOM 6447 C CG2 ? VAL Dxp 29 ? 61.867 19.746 50.754 0.00 0 256 D
|
||||
ATOM 7414 C CA ? PHE Dxp 155 ? 55.356 18.410 48.844 0.00 0 382 D
|
||||
ATOM 7416 O O ? PHE Dxp 155 ? 55.635 19.113 51.089 -1.07 0 382 D
|
||||
ATOM 6571 C CE ? LYS Dxp 44 ? 59.381 16.004 52.877 0.00 0 271 D
|
||||
ATOM 6681 C CG1 ? VAL Dxp 62 ? 53.788 5.636 48.109 0.00 0 289 D
|
||||
ATOM 7329 C CD1 ? LEU Dxp 143 ? 59.244 18.841 41.193 0.00 0 370 D
|
||||
ATOM 6758 C CG2 ? VAL Dxp 72 ? 60.178 15.150 41.326 0.00 0 299 D
|
||||
ATOM 6876 O OG1 ? THR Dxp 88 ? 63.295 15.440 44.108 0.00 0 315 D
|
||||
ATOM 7422 C CE2 ? PHE Dxp 155 ? 57.327 18.902 44.964 0.00 0 382 D
|
||||
ATOM 7402 C C ? ALA Dxp 153 ? 53.826 15.699 44.308 0.00 0 380 D
|
||||
ATOM 7401 C CA ? ALA Dxp 153 ? 54.851 15.556 43.189 0.00 0 380 D
|
||||
ATOM 6757 C CG1 ? VAL Dxp 72 ? 58.423 13.974 42.618 0.00 0 299 D
|
||||
ATOM 7195 C CD1 ? LEU Dxp 127 ? 49.551 9.478 41.993 0.00 0 354 D
|
||||
ATOM 6755 O O ? VAL Dxp 72 ? 59.541 11.227 41.576 -7.50 0 299 D
|
||||
ATOM 6748 C CB ? LEU Dxp 71 ? 55.487 10.215 39.179 0.00 0 298 D
|
||||
ATOM 6711 C CG1 ? ILE Dxp 66 ? 55.748 6.675 43.366 0.00 0 293 D
|
||||
ATOM 6752 N N ? VAL Dxp 72 ? 57.585 12.696 39.928 -1.09 0 299 D
|
||||
ATOM 6627 O O ? GLU Dxp 55 ? 56.504 9.379 56.126 -3.21 0 282 D
|
||||
ATOM 6427 O OH ? TYR Dxp 26 ? 58.288 24.914 44.228 -2.14 0 253 D
|
||||
ATOM 6414 O OE1 ? GLN Dxp 25 ? 58.455 28.443 46.071 -5.09 0 252 D
|
||||
ATOM 6929 N N ? ASN Dxp 95 ? 57.778 24.953 40.502 -2.19 0 322 D
|
||||
ATOM 6935 O OD1 ? ASN Dxp 95 ? 56.159 26.889 42.866 -2.14 0 322 D
|
||||
ATOM 6960 O OD2 ? ASP Dxp 98 ? 55.820 29.536 42.600 -2.55 0 325 D
|
||||
ATOM 6957 C CB ? ASP Dxp 98 ? 55.535 30.185 40.403 0.00 0 325 D
|
||||
ATOM 6916 O O ? TYR Dxp 93 ? 59.826 26.639 37.454 0.00 0 320 D
|
||||
ATOM 7420 C CD2 ? PHE Dxp 155 ? 56.995 18.870 46.332 0.00 0 382 D
|
||||
ATOM 6446 C CG1 ? VAL Dxp 29 ? 63.424 19.965 48.777 0.00 0 256 D
|
||||
ATOM 6420 C CB ? TYR Dxp 26 ? 59.704 22.984 49.387 0.00 0 253 D
|
||||
ATOM 7404 C CB ? ALA Dxp 153 ? 55.891 16.596 43.353 0.00 0 380 D
|
||||
ATOM 6555 O O ? ALA Dxp 42 ? 66.250 15.967 46.440 0.00 0 269 D
|
||||
ATOM 6564 N N ? LYS Dxp 44 ? 65.071 16.285 50.374 0.00 0 271 D
|
||||
ATOM 6688 C CG ? MET Dxp 63 ? 58.233 8.978 46.901 0.00 0 290 D
|
||||
ATOM 6680 C CB ? VAL Dxp 62 ? 54.934 5.664 49.113 0.00 0 289 D
|
||||
ATOM 6660 O O ? GLU Dxp 59 ? 57.982 7.657 50.173 0.00 0 286 D
|
||||
ATOM 6556 C CB ? ALA Dxp 42 ? 64.982 18.340 44.987 0.00 0 269 D
|
||||
ATOM 6881 O O ? GLU Dxp 89 ? 64.168 16.713 41.645 0.00 0 316 D
|
||||
ATOM 6898 N N ? MET Dxp 91 ? 63.736 19.963 39.260 0.00 0 318 D
|
||||
ATOM 6393 C CD1 ? LEU Dxp 21 ? 64.675 22.066 45.945 0.00 0 248 D
|
||||
ATOM 6888 C CA ? PHE Dxp 90 ? 65.499 18.836 40.501 0.00 0 317 D
|
||||
ATOM 6394 C CD2 ? LEU Dxp 21 ? 66.139 23.878 45.329 0.00 0 248 D
|
||||
ATOM 6376 C CE1 ? HIS Dxp 19 ? 68.713 27.227 46.138 0.00 0 246 D
|
||||
ATOM 6893 C CD1 ? PHE Dxp 90 ? 66.360 21.823 41.727 0.00 0 317 D
|
||||
ATOM 6901 O O ? MET Dxp 91 ? 63.034 22.679 38.496 0.00 0 318 D
|
||||
ATOM 6877 C CG2 ? THR Dxp 88 ? 62.489 13.239 44.727 0.00 0 315 D
|
||||
ATOM 6861 C CG2 ? ILE Dxp 86 ? 62.965 11.227 49.042 0.00 0 313 D
|
||||
ATOM 7405 N N ? ASP Dxp 154 ? 54.325 15.719 45.523 0.00 0 381 D
|
||||
ATOM 6426 C CZ ? TYR Dxp 26 ? 58.649 24.458 45.487 0.00 0 253 D
|
||||
ATOM 7330 C CD2 ? LEU Dxp 143 ? 58.782 21.410 41.356 0.00 0 370 D
|
||||
ATOM 6421 C CG ? TYR Dxp 26 ? 59.341 23.509 48.032 0.00 0 253 D
|
||||
ATOM 6423 C CD2 ? TYR Dxp 26 ? 58.135 23.117 47.412 0.00 0 253 D
|
||||
ATOM 6422 C CD1 ? TYR Dxp 26 ? 60.183 24.385 47.362 0.00 0 253 D
|
||||
ATOM 6425 C CE2 ? TYR Dxp 26 ? 57.795 23.589 46.140 0.00 0 253 D
|
||||
ATOM 7423 C CZ ? PHE Dxp 155 ? 56.783 19.883 44.153 0.00 0 382 D
|
||||
ATOM 7417 C CB ? PHE Dxp 155 ? 55.748 19.792 48.329 0.00 0 382 D
|
||||
ATOM 7396 O O ? VAL Dxp 152 ? 55.001 14.074 40.818 0.00 0 379 D
|
||||
ATOM 6690 C CE ? MET Dxp 63 ? 59.360 10.409 48.847 0.00 0 290 D
|
||||
ATOM 6915 C C ? TYR Dxp 93 ? 60.588 25.697 37.338 0.00 0 320 D
|
||||
ATOM 6391 C CB ? LEU Dxp 21 ? 64.362 24.273 46.981 0.00 0 248 D
|
||||
ATOM 6895 C CE1 ? PHE Dxp 90 ? 66.251 23.209 41.616 0.00 0 317 D
|
||||
ATOM 6467 O OE1 ? GLU Dxp 31 ? 70.105 25.647 44.001 0.00 0 258 D
|
||||
ATOM 7246 O O ? ILE Dxp 133 ? 47.623 9.183 47.095 0.00 0 360 D
|
||||
ATOM 6858 O O ? ILE Dxp 86 ? 65.641 13.840 49.353 0.00 0 313 D
|
||||
ATOM 7252 C CA ? HIS Dxp 134 ? 47.370 11.498 45.668 0.00 0 361 D
|
||||
ATOM 7254 O O ? HIS Dxp 134 ? 47.812 12.555 47.804 0.00 0 361 D
|
||||
ATOM 7403 O O ? ALA Dxp 153 ? 52.619 15.769 44.076 0.00 0 380 D
|
||||
ATOM 6568 C CB ? LYS Dxp 44 ? 62.898 15.688 51.283 0.00 0 271 D
|
||||
ATOM 7260 N NE2 ? HIS Dxp 134 ? 50.218 14.635 44.230 0.00 0 361 D
|
||||
#
|
||||
|
||||
@@ -17,181 +17,181 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 6374 N ND1 ? HIS Dxp 19 ? 68.624 27.394 47.446 0.00 0 246 D
|
||||
ATOM 6376 C CE1 ? HIS Dxp 19 ? 68.713 27.227 46.138 0.00 0 246 D
|
||||
ATOM 6377 N NE2 ? HIS Dxp 19 ? 69.990 27.294 45.797 0.00 0 246 D
|
||||
ATOM 6388 C CA ? LEU Dxp 21 ? 64.781 25.564 47.694 0.00 0 248 D
|
||||
ATOM 6389 C C ? LEU Dxp 21 ? 63.581 26.477 47.783 0.00 0 248 D
|
||||
ATOM 6391 C CB ? LEU Dxp 21 ? 64.362 24.273 46.981 0.00 0 248 D
|
||||
ATOM 6392 C CG ? LEU Dxp 21 ? 65.376 23.265 46.446 0.00 0 248 D
|
||||
ATOM 6393 C CD1 ? LEU Dxp 21 ? 64.675 22.066 45.945 0.00 0 248 D
|
||||
ATOM 6394 C CD2 ? LEU Dxp 21 ? 66.139 23.878 45.329 0.00 0 248 D
|
||||
ATOM 6395 N N ? GLY Dxp 22 ? 63.445 27.361 46.787 -2.19 0 249 D
|
||||
ATOM 6396 C CA ? GLY Dxp 22 ? 62.352 28.355 46.720 0.00 0 249 D
|
||||
ATOM 6413 C CD ? GLN Dxp 25 ? 57.407 27.989 46.515 0.00 0 252 D
|
||||
ATOM 6414 O OE1 ? GLN Dxp 25 ? 58.455 28.443 46.071 -5.09 0 252 D
|
||||
ATOM 6415 N NE2 ? GLN Dxp 25 ? 56.420 27.531 45.718 -0.42 0 252 D
|
||||
ATOM 6419 O O ? TYR Dxp 26 ? 59.073 21.717 51.991 -1.07 0 253 D
|
||||
ATOM 6420 C CB ? TYR Dxp 26 ? 59.704 22.984 49.387 0.00 0 253 D
|
||||
ATOM 6421 C CG ? TYR Dxp 26 ? 59.341 23.509 48.032 0.00 0 253 D
|
||||
ATOM 6422 C CD1 ? TYR Dxp 26 ? 60.183 24.385 47.362 0.00 0 253 D
|
||||
ATOM 6423 C CD2 ? TYR Dxp 26 ? 58.135 23.117 47.412 0.00 0 253 D
|
||||
ATOM 6424 C CE1 ? TYR Dxp 26 ? 59.877 24.854 46.075 0.00 0 253 D
|
||||
ATOM 6425 C CE2 ? TYR Dxp 26 ? 57.795 23.589 46.140 0.00 0 253 D
|
||||
ATOM 6426 C CZ ? TYR Dxp 26 ? 58.649 24.458 45.487 0.00 0 253 D
|
||||
ATOM 6427 O OH ? TYR Dxp 26 ? 58.288 24.914 44.228 -2.14 0 253 D
|
||||
ATOM 6445 C CB ? VAL Dxp 29 ? 62.944 20.625 50.067 0.00 0 256 D
|
||||
ATOM 6446 C CG1 ? VAL Dxp 29 ? 63.424 19.965 48.777 0.00 0 256 D
|
||||
ATOM 6447 C CG2 ? VAL Dxp 29 ? 61.867 19.746 50.754 0.00 0 256 D
|
||||
ATOM 6466 C CD ? GLU Dxp 31 ? 70.736 24.607 43.729 0.00 0 258 D
|
||||
ATOM 6467 O OE1 ? GLU Dxp 31 ? 70.105 25.647 44.001 0.00 0 258 D
|
||||
ATOM 6553 C CA ? ALA Dxp 42 ? 66.460 18.078 45.473 0.00 0 269 D
|
||||
ATOM 6554 C C ? ALA Dxp 42 ? 66.467 17.150 46.611 0.00 0 269 D
|
||||
ATOM 6555 O O ? ALA Dxp 42 ? 66.250 15.967 46.440 0.00 0 269 D
|
||||
ATOM 6556 C CB ? ALA Dxp 42 ? 64.982 18.340 44.987 0.00 0 269 D
|
||||
ATOM 6557 N N ? VAL Dxp 43 ? 66.710 17.707 47.791 0.00 0 270 D
|
||||
ATOM 6558 C CA ? VAL Dxp 43 ? 66.934 16.896 48.965 0.00 0 270 D
|
||||
ATOM 6559 C C ? VAL Dxp 43 ? 65.965 17.202 50.086 0.00 0 270 D
|
||||
ATOM 6564 N N ? LYS Dxp 44 ? 65.071 16.285 50.374 0.00 0 271 D
|
||||
ATOM 6565 C CA ? LYS Dxp 44 ? 64.214 16.433 51.505 0.00 0 271 D
|
||||
ATOM 6568 C CB ? LYS Dxp 44 ? 62.898 15.688 51.283 0.00 0 271 D
|
||||
ATOM 6569 C CG ? LYS Dxp 44 ? 61.806 16.127 52.262 0.00 0 271 D
|
||||
ATOM 6570 C CD ? LYS Dxp 44 ? 60.499 15.433 51.975 0.00 0 271 D
|
||||
ATOM 6571 C CE ? LYS Dxp 44 ? 59.381 16.004 52.877 0.00 0 271 D
|
||||
ATOM 6572 N NZ ? LYS Dxp 44 ? 57.996 15.644 52.375 -3.28 0 271 D
|
||||
ATOM 6626 C C ? GLU Dxp 55 ? 56.900 9.604 57.277 0.00 0 282 D
|
||||
ATOM 6627 O O ? GLU Dxp 55 ? 56.504 9.379 56.126 -3.21 0 282 D
|
||||
ATOM 6629 C CG ? GLU Dxp 55 ? 54.143 11.051 57.889 0.00 0 282 D
|
||||
ATOM 6630 C CD ? GLU Dxp 55 ? 52.863 10.284 58.185 0.00 0 282 D
|
||||
ATOM 6631 O OE1 ? GLU Dxp 55 ? 52.035 10.097 57.244 0.00 0 282 D
|
||||
ATOM 6653 C CA ? LYS Dxp 58 ? 56.760 5.661 54.816 0.00 0 285 D
|
||||
ATOM 6654 C C ? LYS Dxp 58 ? 56.799 6.379 53.467 0.00 0 285 D
|
||||
ATOM 6655 O O ? LYS Dxp 58 ? 56.637 5.732 52.412 0.00 0 285 D
|
||||
ATOM 6656 C CB ? LYS Dxp 58 ? 55.399 5.853 55.510 0.00 0 285 D
|
||||
ATOM 6657 N N ? GLU Dxp 59 ? 57.037 7.697 53.496 0.00 0 286 D
|
||||
ATOM 6658 C CA ? GLU Dxp 59 ? 57.186 8.499 52.273 0.00 0 286 D
|
||||
ATOM 6659 C C ? GLU Dxp 59 ? 58.269 7.947 51.334 0.00 0 286 D
|
||||
ATOM 6660 O O ? GLU Dxp 59 ? 57.982 7.657 50.173 0.00 0 286 D
|
||||
ATOM 6661 C CB ? GLU Dxp 59 ? 57.413 9.994 52.562 0.00 0 286 D
|
||||
ATOM 6662 C CG ? GLU Dxp 59 ? 57.119 10.830 51.310 0.00 0 286 D
|
||||
ATOM 6663 C CD ? GLU Dxp 59 ? 57.497 12.310 51.368 0.00 0 286 D
|
||||
ATOM 6664 O OE1 ? GLU Dxp 59 ? 57.674 12.906 52.458 -2.28 0 286 D
|
||||
ATOM 6665 O OE2 ? GLU Dxp 59 ? 57.595 12.886 50.275 0.00 0 286 D
|
||||
ATOM 6680 C CB ? VAL Dxp 62 ? 54.934 5.664 49.113 0.00 0 289 D
|
||||
ATOM 6681 C CG1 ? VAL Dxp 62 ? 53.788 5.636 48.109 0.00 0 289 D
|
||||
ATOM 6682 C CG2 ? VAL Dxp 62 ? 54.426 5.381 50.458 0.00 0 289 D
|
||||
ATOM 6683 N N ? MET Dxp 63 ? 57.661 5.982 47.544 0.00 0 290 D
|
||||
ATOM 6684 C CA ? MET Dxp 63 ? 58.332 6.530 46.387 0.00 0 290 D
|
||||
ATOM 6687 C CB ? MET Dxp 63 ? 59.097 7.770 46.788 0.00 0 290 D
|
||||
ATOM 6688 C CG ? MET Dxp 63 ? 58.233 8.978 46.901 0.00 0 290 D
|
||||
ATOM 6689 S SD ? MET Dxp 63 ? 59.342 10.341 47.098 0.00 0 290 D
|
||||
ATOM 6690 C CE ? MET Dxp 63 ? 59.360 10.409 48.847 0.00 0 290 D
|
||||
ATOM 6711 C CG1 ? ILE Dxp 66 ? 55.748 6.675 43.366 0.00 0 293 D
|
||||
ATOM 6713 C CD1 ? ILE Dxp 66 ? 54.653 7.398 44.141 0.00 0 293 D
|
||||
ATOM 6745 C CA ? LEU Dxp 71 ? 56.003 11.469 38.527 0.00 0 298 D
|
||||
ATOM 6746 C C ? LEU Dxp 71 ? 57.426 11.851 38.922 0.00 0 298 D
|
||||
ATOM 6748 C CB ? LEU Dxp 71 ? 55.487 10.215 39.179 0.00 0 298 D
|
||||
ATOM 6749 C CG ? LEU Dxp 71 ? 53.967 10.145 39.248 0.00 0 298 D
|
||||
ATOM 6750 C CD1 ? LEU Dxp 71 ? 53.599 8.721 39.390 0.00 0 298 D
|
||||
ATOM 6751 C CD2 ? LEU Dxp 71 ? 53.389 10.979 40.449 0.00 0 298 D
|
||||
ATOM 6752 N N ? VAL Dxp 72 ? 57.585 12.696 39.928 -1.09 0 299 D
|
||||
ATOM 6753 C CA ? VAL Dxp 72 ? 58.931 13.215 40.228 0.00 0 299 D
|
||||
ATOM 6754 C C ? VAL Dxp 72 ? 59.856 12.001 40.654 0.00 0 299 D
|
||||
ATOM 6755 O O ? VAL Dxp 72 ? 59.541 11.227 41.576 -7.50 0 299 D
|
||||
ATOM 6756 C CB ? VAL Dxp 72 ? 58.870 14.428 41.240 0.00 0 299 D
|
||||
ATOM 6757 C CG1 ? VAL Dxp 72 ? 58.423 13.974 42.618 0.00 0 299 D
|
||||
ATOM 6758 C CG2 ? VAL Dxp 72 ? 60.178 15.150 41.326 0.00 0 299 D
|
||||
ATOM 6856 C CA ? ILE Dxp 86 ? 65.111 11.772 50.324 0.00 0 313 D
|
||||
ATOM 6857 C C ? ILE Dxp 86 ? 65.591 12.642 49.200 0.00 0 313 D
|
||||
ATOM 6858 O O ? ILE Dxp 86 ? 65.641 13.840 49.353 0.00 0 313 D
|
||||
ATOM 6859 C CB ? ILE Dxp 86 ? 63.580 11.714 50.371 0.00 0 313 D
|
||||
ATOM 6861 C CG2 ? ILE Dxp 86 ? 62.965 11.227 49.042 0.00 0 313 D
|
||||
ATOM 6863 N N ? ILE Dxp 87 ? 66.006 12.036 48.105 0.00 0 314 D
|
||||
ATOM 6871 N N ? THR Dxp 88 ? 65.495 13.640 45.119 0.00 0 315 D
|
||||
ATOM 6875 C CB ? THR Dxp 88 ? 63.341 14.038 43.772 0.00 0 315 D
|
||||
ATOM 6876 O OG1 ? THR Dxp 88 ? 63.295 15.440 44.108 0.00 0 315 D
|
||||
ATOM 6877 C CG2 ? THR Dxp 88 ? 62.489 13.239 44.727 0.00 0 315 D
|
||||
ATOM 6880 C C ? GLU Dxp 89 ? 65.113 16.493 40.871 0.00 0 316 D
|
||||
ATOM 6881 O O ? GLU Dxp 89 ? 64.168 16.713 41.645 0.00 0 316 D
|
||||
ATOM 6887 N N ? PHE Dxp 90 ? 65.755 17.460 40.261 -1.09 0 317 D
|
||||
ATOM 6888 C CA ? PHE Dxp 90 ? 65.499 18.836 40.501 0.00 0 317 D
|
||||
ATOM 6889 C C ? PHE Dxp 90 ? 64.882 19.302 39.199 0.00 0 317 D
|
||||
ATOM 6891 C CB ? PHE Dxp 90 ? 66.817 19.555 40.732 0.00 0 317 D
|
||||
ATOM 6892 C CG ? PHE Dxp 90 ? 66.705 21.047 40.608 0.00 0 317 D
|
||||
ATOM 6893 C CD1 ? PHE Dxp 90 ? 66.360 21.823 41.727 0.00 0 317 D
|
||||
ATOM 6895 C CE1 ? PHE Dxp 90 ? 66.251 23.209 41.616 0.00 0 317 D
|
||||
ATOM 6896 C CE2 ? PHE Dxp 90 ? 66.827 23.019 39.259 0.00 0 317 D
|
||||
ATOM 6897 C CZ ? PHE Dxp 90 ? 66.475 23.808 40.403 0.00 0 317 D
|
||||
ATOM 6898 N N ? MET Dxp 91 ? 63.736 19.963 39.260 0.00 0 318 D
|
||||
ATOM 6899 C CA ? MET Dxp 91 ? 63.043 20.365 38.022 0.00 0 318 D
|
||||
ATOM 6900 C C ? MET Dxp 91 ? 63.336 21.794 37.710 0.00 0 318 D
|
||||
ATOM 6901 O O ? MET Dxp 91 ? 63.034 22.679 38.496 0.00 0 318 D
|
||||
ATOM 6902 C CB ? MET Dxp 91 ? 61.552 20.075 38.131 0.00 0 318 D
|
||||
ATOM 6908 C C ? THR Dxp 92 ? 63.568 24.501 36.393 0.00 0 319 D
|
||||
ATOM 6909 O O ? THR Dxp 92 ? 63.997 25.572 36.851 0.00 0 319 D
|
||||
ATOM 6914 C CA ? TYR Dxp 93 ? 61.441 25.543 36.069 0.00 0 320 D
|
||||
ATOM 6915 C C ? TYR Dxp 93 ? 60.588 25.697 37.338 0.00 0 320 D
|
||||
ATOM 6916 O O ? TYR Dxp 93 ? 59.826 26.639 37.454 0.00 0 320 D
|
||||
ATOM 6925 N N ? GLY Dxp 94 ? 60.701 24.762 38.280 0.00 0 321 D
|
||||
ATOM 6926 C CA ? GLY Dxp 94 ? 60.034 24.932 39.574 0.00 0 321 D
|
||||
ATOM 6927 C C ? GLY Dxp 94 ? 58.584 24.495 39.537 0.00 0 321 D
|
||||
ATOM 6929 N N ? ASN Dxp 95 ? 57.778 24.953 40.502 -2.19 0 322 D
|
||||
ATOM 6930 C CA ? ASN Dxp 95 ? 56.386 24.517 40.572 0.00 0 322 D
|
||||
ATOM 6932 O O ? ASN Dxp 95 ? 55.729 26.285 39.010 0.00 0 322 D
|
||||
ATOM 6934 C CG ? ASN Dxp 95 ? 55.423 26.157 42.216 0.00 0 322 D
|
||||
ATOM 6935 O OD1 ? ASN Dxp 95 ? 56.159 26.889 42.866 -2.14 0 322 D
|
||||
ATOM 6957 C CB ? ASP Dxp 98 ? 55.535 30.185 40.403 0.00 0 325 D
|
||||
ATOM 6958 C CG ? ASP Dxp 98 ? 55.143 30.209 41.861 0.00 0 325 D
|
||||
ATOM 6960 O OD2 ? ASP Dxp 98 ? 55.820 29.536 42.600 -2.55 0 325 D
|
||||
ATOM 7194 C CG ? LEU Dxp 127 ? 49.824 8.196 41.228 0.00 0 354 D
|
||||
ATOM 7195 C CD1 ? LEU Dxp 127 ? 49.551 9.478 41.993 0.00 0 354 D
|
||||
ATOM 7196 C CD2 ? LEU Dxp 127 ? 50.885 7.312 42.017 0.00 0 354 D
|
||||
ATOM 7236 C CB ? PHE Dxp 132 ? 48.964 5.452 44.735 0.00 0 359 D
|
||||
ATOM 7237 C CG ? PHE Dxp 132 ? 50.048 4.498 45.077 0.00 0 359 D
|
||||
ATOM 7239 C CD2 ? PHE Dxp 132 ? 50.695 4.565 46.284 0.00 0 359 D
|
||||
ATOM 7241 C CE2 ? PHE Dxp 132 ? 51.716 3.665 46.583 0.00 0 359 D
|
||||
ATOM 7243 N N ? ILE Dxp 133 ? 46.537 6.891 46.024 -1.93 0 360 D
|
||||
ATOM 7245 C C ? ILE Dxp 133 ? 46.737 9.259 46.259 0.00 0 360 D
|
||||
ATOM 7246 O O ? ILE Dxp 133 ? 47.623 9.183 47.095 0.00 0 360 D
|
||||
ATOM 7251 N N ? HIS Dxp 134 ? 46.595 10.297 45.460 0.00 0 361 D
|
||||
ATOM 7252 C CA ? HIS Dxp 134 ? 47.370 11.498 45.668 0.00 0 361 D
|
||||
ATOM 7253 C C ? HIS Dxp 134 ? 46.953 12.278 46.936 0.00 0 361 D
|
||||
ATOM 7254 O O ? HIS Dxp 134 ? 47.812 12.555 47.804 0.00 0 361 D
|
||||
ATOM 7255 C CB ? HIS Dxp 134 ? 47.334 12.399 44.428 0.00 0 361 D
|
||||
ATOM 7256 C CG ? HIS Dxp 134 ? 48.415 13.421 44.453 0.00 0 361 D
|
||||
ATOM 7257 N ND1 ? HIS Dxp 134 ? 48.485 14.377 45.431 0.00 0 361 D
|
||||
ATOM 7258 C CD2 ? HIS Dxp 134 ? 49.543 13.548 43.730 0.00 0 361 D
|
||||
ATOM 7259 C CE1 ? HIS Dxp 134 ? 49.558 15.116 45.253 0.00 0 361 D
|
||||
ATOM 7260 N NE2 ? HIS Dxp 134 ? 50.218 14.635 44.230 0.00 0 361 D
|
||||
ATOM 7328 C CG ? LEU Dxp 143 ? 58.274 20.017 40.820 0.00 0 370 D
|
||||
ATOM 7329 C CD1 ? LEU Dxp 143 ? 59.244 18.841 41.193 0.00 0 370 D
|
||||
ATOM 7330 C CD2 ? LEU Dxp 143 ? 58.782 21.410 41.356 0.00 0 370 D
|
||||
ATOM 7395 C C ? VAL Dxp 152 ? 54.278 15.041 40.879 0.00 0 379 D
|
||||
ATOM 7396 O O ? VAL Dxp 152 ? 55.001 14.074 40.818 0.00 0 379 D
|
||||
ATOM 7398 C CG1 ? VAL Dxp 152 ? 51.341 14.429 40.809 0.00 0 379 D
|
||||
ATOM 7400 N N ? ALA Dxp 153 ? 54.162 15.769 41.970 0.00 0 380 D
|
||||
ATOM 7401 C CA ? ALA Dxp 153 ? 54.851 15.556 43.189 0.00 0 380 D
|
||||
ATOM 7402 C C ? ALA Dxp 153 ? 53.826 15.699 44.308 0.00 0 380 D
|
||||
ATOM 7403 O O ? ALA Dxp 153 ? 52.619 15.769 44.076 0.00 0 380 D
|
||||
ATOM 7404 C CB ? ALA Dxp 153 ? 55.891 16.596 43.353 0.00 0 380 D
|
||||
ATOM 7405 N N ? ASP Dxp 154 ? 54.325 15.719 45.523 0.00 0 381 D
|
||||
ATOM 7406 C CA ? ASP Dxp 154 ? 53.526 15.970 46.675 0.00 0 381 D
|
||||
ATOM 7407 C C ? ASP Dxp 154 ? 54.490 16.514 47.699 0.00 0 381 D
|
||||
ATOM 7408 O O ? ASP Dxp 154 ? 55.352 15.791 48.188 0.00 0 381 D
|
||||
ATOM 7409 C CB ? ASP Dxp 154 ? 52.864 14.692 47.175 0.00 0 381 D
|
||||
ATOM 7410 C CG ? ASP Dxp 154 ? 51.982 14.931 48.357 0.00 0 381 D
|
||||
ATOM 7411 O OD1 ? ASP Dxp 154 ? 51.809 16.053 48.830 -4.29 0 381 D
|
||||
ATOM 7412 O OD2 ? ASP Dxp 154 ? 51.451 13.986 48.870 -1.62 0 381 D
|
||||
ATOM 7413 N N ? PHE Dxp 155 ? 54.377 17.799 47.998 0.00 0 382 D
|
||||
ATOM 7414 C CA ? PHE Dxp 155 ? 55.356 18.410 48.844 0.00 0 382 D
|
||||
ATOM 7415 C C ? PHE Dxp 155 ? 54.936 18.484 50.300 0.00 0 382 D
|
||||
ATOM 7416 O O ? PHE Dxp 155 ? 55.635 19.113 51.089 -1.07 0 382 D
|
||||
ATOM 7417 C CB ? PHE Dxp 155 ? 55.748 19.792 48.329 0.00 0 382 D
|
||||
ATOM 7418 C CG ? PHE Dxp 155 ? 56.120 19.814 46.868 0.00 0 382 D
|
||||
ATOM 7420 C CD2 ? PHE Dxp 155 ? 56.995 18.870 46.332 0.00 0 382 D
|
||||
ATOM 7421 C CE1 ? PHE Dxp 155 ? 55.921 20.831 44.680 0.00 0 382 D
|
||||
ATOM 7422 C CE2 ? PHE Dxp 155 ? 57.327 18.902 44.964 0.00 0 382 D
|
||||
ATOM 7423 C CZ ? PHE Dxp 155 ? 56.783 19.883 44.153 0.00 0 382 D
|
||||
ATOM 7424 N N ? GLY Dxp 156 ? 53.836 17.822 50.662 0.00 0 383 D
|
||||
ATOM 7425 C CA ? GLY Dxp 156 ? 53.352 17.790 52.036 0.00 0 383 D
|
||||
ATOM 6374 N ND1 ? HIS Dxp 19 ? 68.624 27.394 47.446 0.00 0 246 D
|
||||
ATOM 6376 C CE1 ? HIS Dxp 19 ? 68.713 27.227 46.138 0.00 0 246 D
|
||||
ATOM 6377 N NE2 ? HIS Dxp 19 ? 69.990 27.294 45.797 0.00 0 246 D
|
||||
ATOM 6388 C CA ? LEU Dxp 21 ? 64.781 25.564 47.694 0.00 0 248 D
|
||||
ATOM 6389 C C ? LEU Dxp 21 ? 63.581 26.477 47.783 0.00 0 248 D
|
||||
ATOM 6391 C CB ? LEU Dxp 21 ? 64.362 24.273 46.981 0.00 0 248 D
|
||||
ATOM 6392 C CG ? LEU Dxp 21 ? 65.376 23.265 46.446 0.00 0 248 D
|
||||
ATOM 6393 C CD1 ? LEU Dxp 21 ? 64.675 22.066 45.945 0.00 0 248 D
|
||||
ATOM 6394 C CD2 ? LEU Dxp 21 ? 66.139 23.878 45.329 0.00 0 248 D
|
||||
ATOM 6395 N N ? GLY Dxp 22 ? 63.445 27.361 46.787 -2.19 0 249 D
|
||||
ATOM 6396 C CA ? GLY Dxp 22 ? 62.352 28.355 46.720 0.00 0 249 D
|
||||
ATOM 6413 C CD ? GLN Dxp 25 ? 57.407 27.989 46.515 0.00 0 252 D
|
||||
ATOM 6414 O OE1 ? GLN Dxp 25 ? 58.455 28.443 46.071 -5.09 0 252 D
|
||||
ATOM 6415 N NE2 ? GLN Dxp 25 ? 56.420 27.531 45.718 -0.42 0 252 D
|
||||
ATOM 6419 O O ? TYR Dxp 26 ? 59.073 21.717 51.991 -1.07 0 253 D
|
||||
ATOM 6420 C CB ? TYR Dxp 26 ? 59.704 22.984 49.387 0.00 0 253 D
|
||||
ATOM 6421 C CG ? TYR Dxp 26 ? 59.341 23.509 48.032 0.00 0 253 D
|
||||
ATOM 6422 C CD1 ? TYR Dxp 26 ? 60.183 24.385 47.362 0.00 0 253 D
|
||||
ATOM 6423 C CD2 ? TYR Dxp 26 ? 58.135 23.117 47.412 0.00 0 253 D
|
||||
ATOM 6424 C CE1 ? TYR Dxp 26 ? 59.877 24.854 46.075 0.00 0 253 D
|
||||
ATOM 6425 C CE2 ? TYR Dxp 26 ? 57.795 23.589 46.140 0.00 0 253 D
|
||||
ATOM 6426 C CZ ? TYR Dxp 26 ? 58.649 24.458 45.487 0.00 0 253 D
|
||||
ATOM 6427 O OH ? TYR Dxp 26 ? 58.288 24.914 44.228 -2.14 0 253 D
|
||||
ATOM 6445 C CB ? VAL Dxp 29 ? 62.944 20.625 50.067 0.00 0 256 D
|
||||
ATOM 6446 C CG1 ? VAL Dxp 29 ? 63.424 19.965 48.777 0.00 0 256 D
|
||||
ATOM 6447 C CG2 ? VAL Dxp 29 ? 61.867 19.746 50.754 0.00 0 256 D
|
||||
ATOM 6466 C CD ? GLU Dxp 31 ? 70.736 24.607 43.729 0.00 0 258 D
|
||||
ATOM 6467 O OE1 ? GLU Dxp 31 ? 70.105 25.647 44.001 0.00 0 258 D
|
||||
ATOM 6553 C CA ? ALA Dxp 42 ? 66.460 18.078 45.473 0.00 0 269 D
|
||||
ATOM 6554 C C ? ALA Dxp 42 ? 66.467 17.150 46.611 0.00 0 269 D
|
||||
ATOM 6555 O O ? ALA Dxp 42 ? 66.250 15.967 46.440 0.00 0 269 D
|
||||
ATOM 6556 C CB ? ALA Dxp 42 ? 64.982 18.340 44.987 0.00 0 269 D
|
||||
ATOM 6557 N N ? VAL Dxp 43 ? 66.710 17.707 47.791 0.00 0 270 D
|
||||
ATOM 6558 C CA ? VAL Dxp 43 ? 66.934 16.896 48.965 0.00 0 270 D
|
||||
ATOM 6559 C C ? VAL Dxp 43 ? 65.965 17.202 50.086 0.00 0 270 D
|
||||
ATOM 6564 N N ? LYS Dxp 44 ? 65.071 16.285 50.374 0.00 0 271 D
|
||||
ATOM 6565 C CA ? LYS Dxp 44 ? 64.214 16.433 51.505 0.00 0 271 D
|
||||
ATOM 6568 C CB ? LYS Dxp 44 ? 62.898 15.688 51.283 0.00 0 271 D
|
||||
ATOM 6569 C CG ? LYS Dxp 44 ? 61.806 16.127 52.262 0.00 0 271 D
|
||||
ATOM 6570 C CD ? LYS Dxp 44 ? 60.499 15.433 51.975 0.00 0 271 D
|
||||
ATOM 6571 C CE ? LYS Dxp 44 ? 59.381 16.004 52.877 0.00 0 271 D
|
||||
ATOM 6572 N NZ ? LYS Dxp 44 ? 57.996 15.644 52.375 -3.28 0 271 D
|
||||
ATOM 6626 C C ? GLU Dxp 55 ? 56.900 9.604 57.277 0.00 0 282 D
|
||||
ATOM 6627 O O ? GLU Dxp 55 ? 56.504 9.379 56.126 -3.21 0 282 D
|
||||
ATOM 6629 C CG ? GLU Dxp 55 ? 54.143 11.051 57.889 0.00 0 282 D
|
||||
ATOM 6630 C CD ? GLU Dxp 55 ? 52.863 10.284 58.185 0.00 0 282 D
|
||||
ATOM 6631 O OE1 ? GLU Dxp 55 ? 52.035 10.097 57.244 0.00 0 282 D
|
||||
ATOM 6653 C CA ? LYS Dxp 58 ? 56.760 5.661 54.816 0.00 0 285 D
|
||||
ATOM 6654 C C ? LYS Dxp 58 ? 56.799 6.379 53.467 0.00 0 285 D
|
||||
ATOM 6655 O O ? LYS Dxp 58 ? 56.637 5.732 52.412 0.00 0 285 D
|
||||
ATOM 6656 C CB ? LYS Dxp 58 ? 55.399 5.853 55.510 0.00 0 285 D
|
||||
ATOM 6657 N N ? GLU Dxp 59 ? 57.037 7.697 53.496 0.00 0 286 D
|
||||
ATOM 6658 C CA ? GLU Dxp 59 ? 57.186 8.499 52.273 0.00 0 286 D
|
||||
ATOM 6659 C C ? GLU Dxp 59 ? 58.269 7.947 51.334 0.00 0 286 D
|
||||
ATOM 6660 O O ? GLU Dxp 59 ? 57.982 7.657 50.173 0.00 0 286 D
|
||||
ATOM 6661 C CB ? GLU Dxp 59 ? 57.413 9.994 52.562 0.00 0 286 D
|
||||
ATOM 6662 C CG ? GLU Dxp 59 ? 57.119 10.830 51.310 0.00 0 286 D
|
||||
ATOM 6663 C CD ? GLU Dxp 59 ? 57.497 12.310 51.368 0.00 0 286 D
|
||||
ATOM 6664 O OE1 ? GLU Dxp 59 ? 57.674 12.906 52.458 -2.28 0 286 D
|
||||
ATOM 6665 O OE2 ? GLU Dxp 59 ? 57.595 12.886 50.275 0.00 0 286 D
|
||||
ATOM 6680 C CB ? VAL Dxp 62 ? 54.934 5.664 49.113 0.00 0 289 D
|
||||
ATOM 6681 C CG1 ? VAL Dxp 62 ? 53.788 5.636 48.109 0.00 0 289 D
|
||||
ATOM 6682 C CG2 ? VAL Dxp 62 ? 54.426 5.381 50.458 0.00 0 289 D
|
||||
ATOM 6683 N N ? MET Dxp 63 ? 57.661 5.982 47.544 0.00 0 290 D
|
||||
ATOM 6684 C CA ? MET Dxp 63 ? 58.332 6.530 46.387 0.00 0 290 D
|
||||
ATOM 6687 C CB ? MET Dxp 63 ? 59.097 7.770 46.788 0.00 0 290 D
|
||||
ATOM 6688 C CG ? MET Dxp 63 ? 58.233 8.978 46.901 0.00 0 290 D
|
||||
ATOM 6689 S SD ? MET Dxp 63 ? 59.342 10.341 47.098 0.00 0 290 D
|
||||
ATOM 6690 C CE ? MET Dxp 63 ? 59.360 10.409 48.847 0.00 0 290 D
|
||||
ATOM 6711 C CG1 ? ILE Dxp 66 ? 55.748 6.675 43.366 0.00 0 293 D
|
||||
ATOM 6713 C CD1 ? ILE Dxp 66 ? 54.653 7.398 44.141 0.00 0 293 D
|
||||
ATOM 6745 C CA ? LEU Dxp 71 ? 56.003 11.469 38.527 0.00 0 298 D
|
||||
ATOM 6746 C C ? LEU Dxp 71 ? 57.426 11.851 38.922 0.00 0 298 D
|
||||
ATOM 6748 C CB ? LEU Dxp 71 ? 55.487 10.215 39.179 0.00 0 298 D
|
||||
ATOM 6749 C CG ? LEU Dxp 71 ? 53.967 10.145 39.248 0.00 0 298 D
|
||||
ATOM 6750 C CD1 ? LEU Dxp 71 ? 53.599 8.721 39.390 0.00 0 298 D
|
||||
ATOM 6751 C CD2 ? LEU Dxp 71 ? 53.389 10.979 40.449 0.00 0 298 D
|
||||
ATOM 6752 N N ? VAL Dxp 72 ? 57.585 12.696 39.928 -1.09 0 299 D
|
||||
ATOM 6753 C CA ? VAL Dxp 72 ? 58.931 13.215 40.228 0.00 0 299 D
|
||||
ATOM 6754 C C ? VAL Dxp 72 ? 59.856 12.001 40.654 0.00 0 299 D
|
||||
ATOM 6755 O O ? VAL Dxp 72 ? 59.541 11.227 41.576 -7.50 0 299 D
|
||||
ATOM 6756 C CB ? VAL Dxp 72 ? 58.870 14.428 41.240 0.00 0 299 D
|
||||
ATOM 6757 C CG1 ? VAL Dxp 72 ? 58.423 13.974 42.618 0.00 0 299 D
|
||||
ATOM 6758 C CG2 ? VAL Dxp 72 ? 60.178 15.150 41.326 0.00 0 299 D
|
||||
ATOM 6856 C CA ? ILE Dxp 86 ? 65.111 11.772 50.324 0.00 0 313 D
|
||||
ATOM 6857 C C ? ILE Dxp 86 ? 65.591 12.642 49.200 0.00 0 313 D
|
||||
ATOM 6858 O O ? ILE Dxp 86 ? 65.641 13.840 49.353 0.00 0 313 D
|
||||
ATOM 6859 C CB ? ILE Dxp 86 ? 63.580 11.714 50.371 0.00 0 313 D
|
||||
ATOM 6861 C CG2 ? ILE Dxp 86 ? 62.965 11.227 49.042 0.00 0 313 D
|
||||
ATOM 6863 N N ? ILE Dxp 87 ? 66.006 12.036 48.105 0.00 0 314 D
|
||||
ATOM 6871 N N ? THR Dxp 88 ? 65.495 13.640 45.119 0.00 0 315 D
|
||||
ATOM 6875 C CB ? THR Dxp 88 ? 63.341 14.038 43.772 0.00 0 315 D
|
||||
ATOM 6876 O OG1 ? THR Dxp 88 ? 63.295 15.440 44.108 0.00 0 315 D
|
||||
ATOM 6877 C CG2 ? THR Dxp 88 ? 62.489 13.239 44.727 0.00 0 315 D
|
||||
ATOM 6880 C C ? GLU Dxp 89 ? 65.113 16.493 40.871 0.00 0 316 D
|
||||
ATOM 6881 O O ? GLU Dxp 89 ? 64.168 16.713 41.645 0.00 0 316 D
|
||||
ATOM 6887 N N ? PHE Dxp 90 ? 65.755 17.460 40.261 -1.09 0 317 D
|
||||
ATOM 6888 C CA ? PHE Dxp 90 ? 65.499 18.836 40.501 0.00 0 317 D
|
||||
ATOM 6889 C C ? PHE Dxp 90 ? 64.882 19.302 39.199 0.00 0 317 D
|
||||
ATOM 6891 C CB ? PHE Dxp 90 ? 66.817 19.555 40.732 0.00 0 317 D
|
||||
ATOM 6892 C CG ? PHE Dxp 90 ? 66.705 21.047 40.608 0.00 0 317 D
|
||||
ATOM 6893 C CD1 ? PHE Dxp 90 ? 66.360 21.823 41.727 0.00 0 317 D
|
||||
ATOM 6895 C CE1 ? PHE Dxp 90 ? 66.251 23.209 41.616 0.00 0 317 D
|
||||
ATOM 6896 C CE2 ? PHE Dxp 90 ? 66.827 23.019 39.259 0.00 0 317 D
|
||||
ATOM 6897 C CZ ? PHE Dxp 90 ? 66.475 23.808 40.403 0.00 0 317 D
|
||||
ATOM 6898 N N ? MET Dxp 91 ? 63.736 19.963 39.260 0.00 0 318 D
|
||||
ATOM 6899 C CA ? MET Dxp 91 ? 63.043 20.365 38.022 0.00 0 318 D
|
||||
ATOM 6900 C C ? MET Dxp 91 ? 63.336 21.794 37.710 0.00 0 318 D
|
||||
ATOM 6901 O O ? MET Dxp 91 ? 63.034 22.679 38.496 0.00 0 318 D
|
||||
ATOM 6902 C CB ? MET Dxp 91 ? 61.552 20.075 38.131 0.00 0 318 D
|
||||
ATOM 6908 C C ? THR Dxp 92 ? 63.568 24.501 36.393 0.00 0 319 D
|
||||
ATOM 6909 O O ? THR Dxp 92 ? 63.997 25.572 36.851 0.00 0 319 D
|
||||
ATOM 6914 C CA ? TYR Dxp 93 ? 61.441 25.543 36.069 0.00 0 320 D
|
||||
ATOM 6915 C C ? TYR Dxp 93 ? 60.588 25.697 37.338 0.00 0 320 D
|
||||
ATOM 6916 O O ? TYR Dxp 93 ? 59.826 26.639 37.454 0.00 0 320 D
|
||||
ATOM 6925 N N ? GLY Dxp 94 ? 60.701 24.762 38.280 0.00 0 321 D
|
||||
ATOM 6926 C CA ? GLY Dxp 94 ? 60.034 24.932 39.574 0.00 0 321 D
|
||||
ATOM 6927 C C ? GLY Dxp 94 ? 58.584 24.495 39.537 0.00 0 321 D
|
||||
ATOM 6929 N N ? ASN Dxp 95 ? 57.778 24.953 40.502 -2.19 0 322 D
|
||||
ATOM 6930 C CA ? ASN Dxp 95 ? 56.386 24.517 40.572 0.00 0 322 D
|
||||
ATOM 6932 O O ? ASN Dxp 95 ? 55.729 26.285 39.010 0.00 0 322 D
|
||||
ATOM 6934 C CG ? ASN Dxp 95 ? 55.423 26.157 42.216 0.00 0 322 D
|
||||
ATOM 6935 O OD1 ? ASN Dxp 95 ? 56.159 26.889 42.866 -2.14 0 322 D
|
||||
ATOM 6957 C CB ? ASP Dxp 98 ? 55.535 30.185 40.403 0.00 0 325 D
|
||||
ATOM 6958 C CG ? ASP Dxp 98 ? 55.143 30.209 41.861 0.00 0 325 D
|
||||
ATOM 6960 O OD2 ? ASP Dxp 98 ? 55.820 29.536 42.600 -2.55 0 325 D
|
||||
ATOM 7194 C CG ? LEU Dxp 127 ? 49.824 8.196 41.228 0.00 0 354 D
|
||||
ATOM 7195 C CD1 ? LEU Dxp 127 ? 49.551 9.478 41.993 0.00 0 354 D
|
||||
ATOM 7196 C CD2 ? LEU Dxp 127 ? 50.885 7.312 42.017 0.00 0 354 D
|
||||
ATOM 7236 C CB ? PHE Dxp 132 ? 48.964 5.452 44.735 0.00 0 359 D
|
||||
ATOM 7237 C CG ? PHE Dxp 132 ? 50.048 4.498 45.077 0.00 0 359 D
|
||||
ATOM 7239 C CD2 ? PHE Dxp 132 ? 50.695 4.565 46.284 0.00 0 359 D
|
||||
ATOM 7241 C CE2 ? PHE Dxp 132 ? 51.716 3.665 46.583 0.00 0 359 D
|
||||
ATOM 7243 N N ? ILE Dxp 133 ? 46.537 6.891 46.024 -1.93 0 360 D
|
||||
ATOM 7245 C C ? ILE Dxp 133 ? 46.737 9.259 46.259 0.00 0 360 D
|
||||
ATOM 7246 O O ? ILE Dxp 133 ? 47.623 9.183 47.095 0.00 0 360 D
|
||||
ATOM 7251 N N ? HIS Dxp 134 ? 46.595 10.297 45.460 0.00 0 361 D
|
||||
ATOM 7252 C CA ? HIS Dxp 134 ? 47.370 11.498 45.668 0.00 0 361 D
|
||||
ATOM 7253 C C ? HIS Dxp 134 ? 46.953 12.278 46.936 0.00 0 361 D
|
||||
ATOM 7254 O O ? HIS Dxp 134 ? 47.812 12.555 47.804 0.00 0 361 D
|
||||
ATOM 7255 C CB ? HIS Dxp 134 ? 47.334 12.399 44.428 0.00 0 361 D
|
||||
ATOM 7256 C CG ? HIS Dxp 134 ? 48.415 13.421 44.453 0.00 0 361 D
|
||||
ATOM 7257 N ND1 ? HIS Dxp 134 ? 48.485 14.377 45.431 0.00 0 361 D
|
||||
ATOM 7258 C CD2 ? HIS Dxp 134 ? 49.543 13.548 43.730 0.00 0 361 D
|
||||
ATOM 7259 C CE1 ? HIS Dxp 134 ? 49.558 15.116 45.253 0.00 0 361 D
|
||||
ATOM 7260 N NE2 ? HIS Dxp 134 ? 50.218 14.635 44.230 0.00 0 361 D
|
||||
ATOM 7328 C CG ? LEU Dxp 143 ? 58.274 20.017 40.820 0.00 0 370 D
|
||||
ATOM 7329 C CD1 ? LEU Dxp 143 ? 59.244 18.841 41.193 0.00 0 370 D
|
||||
ATOM 7330 C CD2 ? LEU Dxp 143 ? 58.782 21.410 41.356 0.00 0 370 D
|
||||
ATOM 7395 C C ? VAL Dxp 152 ? 54.278 15.041 40.879 0.00 0 379 D
|
||||
ATOM 7396 O O ? VAL Dxp 152 ? 55.001 14.074 40.818 0.00 0 379 D
|
||||
ATOM 7398 C CG1 ? VAL Dxp 152 ? 51.341 14.429 40.809 0.00 0 379 D
|
||||
ATOM 7400 N N ? ALA Dxp 153 ? 54.162 15.769 41.970 0.00 0 380 D
|
||||
ATOM 7401 C CA ? ALA Dxp 153 ? 54.851 15.556 43.189 0.00 0 380 D
|
||||
ATOM 7402 C C ? ALA Dxp 153 ? 53.826 15.699 44.308 0.00 0 380 D
|
||||
ATOM 7403 O O ? ALA Dxp 153 ? 52.619 15.769 44.076 0.00 0 380 D
|
||||
ATOM 7404 C CB ? ALA Dxp 153 ? 55.891 16.596 43.353 0.00 0 380 D
|
||||
ATOM 7405 N N ? ASP Dxp 154 ? 54.325 15.719 45.523 0.00 0 381 D
|
||||
ATOM 7406 C CA ? ASP Dxp 154 ? 53.526 15.970 46.675 0.00 0 381 D
|
||||
ATOM 7407 C C ? ASP Dxp 154 ? 54.490 16.514 47.699 0.00 0 381 D
|
||||
ATOM 7408 O O ? ASP Dxp 154 ? 55.352 15.791 48.188 0.00 0 381 D
|
||||
ATOM 7409 C CB ? ASP Dxp 154 ? 52.864 14.692 47.175 0.00 0 381 D
|
||||
ATOM 7410 C CG ? ASP Dxp 154 ? 51.982 14.931 48.357 0.00 0 381 D
|
||||
ATOM 7411 O OD1 ? ASP Dxp 154 ? 51.809 16.053 48.830 -4.29 0 381 D
|
||||
ATOM 7412 O OD2 ? ASP Dxp 154 ? 51.451 13.986 48.870 -1.62 0 381 D
|
||||
ATOM 7413 N N ? PHE Dxp 155 ? 54.377 17.799 47.998 0.00 0 382 D
|
||||
ATOM 7414 C CA ? PHE Dxp 155 ? 55.356 18.410 48.844 0.00 0 382 D
|
||||
ATOM 7415 C C ? PHE Dxp 155 ? 54.936 18.484 50.300 0.00 0 382 D
|
||||
ATOM 7416 O O ? PHE Dxp 155 ? 55.635 19.113 51.089 -1.07 0 382 D
|
||||
ATOM 7417 C CB ? PHE Dxp 155 ? 55.748 19.792 48.329 0.00 0 382 D
|
||||
ATOM 7418 C CG ? PHE Dxp 155 ? 56.120 19.814 46.868 0.00 0 382 D
|
||||
ATOM 7420 C CD2 ? PHE Dxp 155 ? 56.995 18.870 46.332 0.00 0 382 D
|
||||
ATOM 7421 C CE1 ? PHE Dxp 155 ? 55.921 20.831 44.680 0.00 0 382 D
|
||||
ATOM 7422 C CE2 ? PHE Dxp 155 ? 57.327 18.902 44.964 0.00 0 382 D
|
||||
ATOM 7423 C CZ ? PHE Dxp 155 ? 56.783 19.883 44.153 0.00 0 382 D
|
||||
ATOM 7424 N N ? GLY Dxp 156 ? 53.836 17.822 50.662 0.00 0 383 D
|
||||
ATOM 7425 C CA ? GLY Dxp 156 ? 53.352 17.790 52.036 0.00 0 383 D
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 30:
|
||||
6 - Hydrophobicity Score : 13.1000
|
||||
7 - Polarity Score : 5
|
||||
8 - Amino Acid based volume Score : 3.9000
|
||||
9 - Pocket volume (Monte Carlo) : 369.3806
|
||||
9 - Pocket volume (Monte Carlo) : 362.2673
|
||||
10 -Pocket volume (convex hull) : 39.9031
|
||||
11 - Charge Score : 0
|
||||
12 - Local hydrophobic density Score : 13.0000
|
||||
@@ -39,32 +39,32 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 3308 O O ? ASP Bxp 164 ? 27.151 43.554 37.600 -1.21 0 391 B
|
||||
ATOM 3313 O O ? THR Bxp 165 ? 24.462 45.035 38.384 -2.14 0 392 B
|
||||
ATOM 3405 C CG ? LYS Bxp 177 ? 24.464 39.615 42.306 0.00 0 404 B
|
||||
ATOM 3406 C CD ? LYS Bxp 177 ? 25.964 39.772 42.543 0.00 0 404 B
|
||||
ATOM 3422 C CH2 ? TRP Bxp 178 ? 24.948 45.190 44.295 0.00 0 405 B
|
||||
ATOM 3678 C CB ? SER Bxp 211 ? 30.018 43.102 45.878 0.00 0 438 B
|
||||
ATOM 3686 C CD ? PRO Bxp 212 ? 26.363 42.775 46.525 0.00 0 439 B
|
||||
ATOM 3683 O O ? PRO Bxp 212 ? 27.502 39.687 45.538 -1.07 0 439 B
|
||||
ATOM 3408 N NZ ? LYS Bxp 177 ? 28.079 38.314 42.470 0.00 0 404 B
|
||||
ATOM 3315 O OG1 ? THR Bxp 165 ? 27.785 47.295 40.411 -2.69 0 392 B
|
||||
ATOM 3679 O OG ? SER Bxp 211 ? 30.571 44.344 45.570 0.00 0 438 B
|
||||
ATOM 3421 C CZ3 ? TRP Bxp 178 ? 24.294 44.617 43.200 0.00 0 405 B
|
||||
ATOM 3733 C CD2 ? LEU Bxp 218 ? 25.994 39.197 38.463 0.00 0 445 B
|
||||
ATOM 3407 C CE ? LYS Bxp 177 ? 26.663 38.511 41.999 0.00 0 404 B
|
||||
ATOM 3309 C CB ? ASP Bxp 164 ? 29.556 43.103 36.104 0.00 0 391 B
|
||||
ATOM 3731 C CG ? LEU Bxp 218 ? 26.746 38.765 37.215 0.00 0 445 B
|
||||
ATOM 3732 C CD1 ? LEU Bxp 218 ? 26.904 39.928 36.336 0.00 0 445 B
|
||||
ATOM 3400 N N ? LYS Bxp 177 ? 22.059 41.042 41.095 0.00 0 404 B
|
||||
ATOM 3404 C CB ? LYS Bxp 177 ? 23.625 40.732 42.913 0.00 0 404 B
|
||||
ATOM 3311 C CA ? THR Bxp 165 ? 26.568 46.000 38.856 0.00 0 392 B
|
||||
ATOM 3310 N N ? THR Bxp 165 ? 27.717 45.708 37.984 -1.09 0 392 B
|
||||
ATOM 3307 C C ? ASP Bxp 164 ? 27.840 44.547 37.321 0.00 0 391 B
|
||||
ATOM 3713 O O ? ILE Bxp 216 ? 28.851 36.052 40.595 -4.02 0 443 B
|
||||
ATOM 3707 C CA ? GLY Bxp 215 ? 32.598 35.981 43.265 0.00 0 442 B
|
||||
ATOM 3709 O O ? GLY Bxp 215 ? 32.021 34.395 41.605 0.00 0 442 B
|
||||
ATOM 3708 C C ? GLY Bxp 215 ? 31.630 35.052 42.556 0.00 0 442 B
|
||||
ATOM 3706 N N ? GLY Bxp 215 ? 31.992 36.921 44.159 0.00 0 442 B
|
||||
ATOM 3700 C CA ? PRO Bxp 214 ? 30.804 37.638 46.187 0.00 0 441 B
|
||||
ATOM 3308 O O ? ASP Bxp 164 ? 27.151 43.554 37.600 -1.21 0 391 B
|
||||
ATOM 3313 O O ? THR Bxp 165 ? 24.462 45.035 38.384 -2.14 0 392 B
|
||||
ATOM 3405 C CG ? LYS Bxp 177 ? 24.464 39.615 42.306 0.00 0 404 B
|
||||
ATOM 3406 C CD ? LYS Bxp 177 ? 25.964 39.772 42.543 0.00 0 404 B
|
||||
ATOM 3422 C CH2 ? TRP Bxp 178 ? 24.948 45.190 44.295 0.00 0 405 B
|
||||
ATOM 3678 C CB ? SER Bxp 211 ? 30.018 43.102 45.878 0.00 0 438 B
|
||||
ATOM 3686 C CD ? PRO Bxp 212 ? 26.363 42.775 46.525 0.00 0 439 B
|
||||
ATOM 3683 O O ? PRO Bxp 212 ? 27.502 39.687 45.538 -1.07 0 439 B
|
||||
ATOM 3408 N NZ ? LYS Bxp 177 ? 28.079 38.314 42.470 0.00 0 404 B
|
||||
ATOM 3315 O OG1 ? THR Bxp 165 ? 27.785 47.295 40.411 -2.69 0 392 B
|
||||
ATOM 3679 O OG ? SER Bxp 211 ? 30.571 44.344 45.570 0.00 0 438 B
|
||||
ATOM 3421 C CZ3 ? TRP Bxp 178 ? 24.294 44.617 43.200 0.00 0 405 B
|
||||
ATOM 3733 C CD2 ? LEU Bxp 218 ? 25.994 39.197 38.463 0.00 0 445 B
|
||||
ATOM 3407 C CE ? LYS Bxp 177 ? 26.663 38.511 41.999 0.00 0 404 B
|
||||
ATOM 3309 C CB ? ASP Bxp 164 ? 29.556 43.103 36.104 0.00 0 391 B
|
||||
ATOM 3731 C CG ? LEU Bxp 218 ? 26.746 38.765 37.215 0.00 0 445 B
|
||||
ATOM 3732 C CD1 ? LEU Bxp 218 ? 26.904 39.928 36.336 0.00 0 445 B
|
||||
ATOM 3400 N N ? LYS Bxp 177 ? 22.059 41.042 41.095 0.00 0 404 B
|
||||
ATOM 3404 C CB ? LYS Bxp 177 ? 23.625 40.732 42.913 0.00 0 404 B
|
||||
ATOM 3311 C CA ? THR Bxp 165 ? 26.568 46.000 38.856 0.00 0 392 B
|
||||
ATOM 3310 N N ? THR Bxp 165 ? 27.717 45.708 37.984 -1.09 0 392 B
|
||||
ATOM 3307 C C ? ASP Bxp 164 ? 27.840 44.547 37.321 0.00 0 391 B
|
||||
ATOM 3713 O O ? ILE Bxp 216 ? 28.851 36.052 40.595 -4.02 0 443 B
|
||||
ATOM 3707 C CA ? GLY Bxp 215 ? 32.598 35.981 43.265 0.00 0 442 B
|
||||
ATOM 3709 O O ? GLY Bxp 215 ? 32.021 34.395 41.605 0.00 0 442 B
|
||||
ATOM 3708 C C ? GLY Bxp 215 ? 31.630 35.052 42.556 0.00 0 442 B
|
||||
ATOM 3706 N N ? GLY Bxp 215 ? 31.992 36.921 44.159 0.00 0 442 B
|
||||
ATOM 3700 C CA ? PRO Bxp 214 ? 30.804 37.638 46.187 0.00 0 441 B
|
||||
#
|
||||
|
||||
@@ -17,54 +17,54 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 3305 N N ? ASP Bxp 164 ? 29.908 45.575 36.198 0.00 0 391 B
|
||||
ATOM 3306 C CA ? ASP Bxp 164 ? 28.891 44.496 36.165 0.00 0 391 B
|
||||
ATOM 3307 C C ? ASP Bxp 164 ? 27.840 44.547 37.321 0.00 0 391 B
|
||||
ATOM 3308 O O ? ASP Bxp 164 ? 27.151 43.554 37.600 -1.21 0 391 B
|
||||
ATOM 3309 C CB ? ASP Bxp 164 ? 29.556 43.103 36.104 0.00 0 391 B
|
||||
ATOM 3310 N N ? THR Bxp 165 ? 27.717 45.708 37.984 -1.09 0 392 B
|
||||
ATOM 3311 C CA ? THR Bxp 165 ? 26.568 46.000 38.856 0.00 0 392 B
|
||||
ATOM 3312 C C ? THR Bxp 165 ? 25.293 45.859 38.052 0.00 0 392 B
|
||||
ATOM 3313 O O ? THR Bxp 165 ? 24.462 45.035 38.384 -2.14 0 392 B
|
||||
ATOM 3314 C CB ? THR Bxp 165 ? 26.698 47.367 39.497 0.00 0 392 B
|
||||
ATOM 3315 O OG1 ? THR Bxp 165 ? 27.785 47.295 40.411 -2.69 0 392 B
|
||||
ATOM 3392 N N ? ILE Bxp 176 ? 21.472 42.362 38.641 0.00 0 403 B
|
||||
ATOM 3393 C CA ? ILE Bxp 176 ? 21.108 40.929 38.881 0.00 0 403 B
|
||||
ATOM 3394 C C ? ILE Bxp 176 ? 21.071 40.558 40.347 0.00 0 403 B
|
||||
ATOM 3396 C CB ? ILE Bxp 176 ? 21.966 39.989 38.044 0.00 0 403 B
|
||||
ATOM 3400 N N ? LYS Bxp 177 ? 22.059 41.042 41.095 0.00 0 404 B
|
||||
ATOM 3401 C CA ? LYS Bxp 177 ? 22.185 40.603 42.480 0.00 0 404 B
|
||||
ATOM 3404 C CB ? LYS Bxp 177 ? 23.625 40.732 42.913 0.00 0 404 B
|
||||
ATOM 3405 C CG ? LYS Bxp 177 ? 24.464 39.615 42.306 0.00 0 404 B
|
||||
ATOM 3406 C CD ? LYS Bxp 177 ? 25.964 39.772 42.543 0.00 0 404 B
|
||||
ATOM 3407 C CE ? LYS Bxp 177 ? 26.663 38.511 41.999 0.00 0 404 B
|
||||
ATOM 3408 N NZ ? LYS Bxp 177 ? 28.079 38.314 42.470 0.00 0 404 B
|
||||
ATOM 3419 C CE3 ? TRP Bxp 178 ? 22.913 44.513 43.164 0.00 0 405 B
|
||||
ATOM 3421 C CZ3 ? TRP Bxp 178 ? 24.294 44.617 43.200 0.00 0 405 B
|
||||
ATOM 3422 C CH2 ? TRP Bxp 178 ? 24.948 45.190 44.295 0.00 0 405 B
|
||||
ATOM 3675 C CA ? SER Bxp 211 ? 29.156 43.225 47.157 0.00 0 438 B
|
||||
ATOM 3676 C C ? SER Bxp 211 ? 28.502 41.873 47.480 0.00 0 438 B
|
||||
ATOM 3677 O O ? SER Bxp 211 ? 29.157 40.946 47.931 -1.07 0 438 B
|
||||
ATOM 3678 C CB ? SER Bxp 211 ? 30.018 43.102 45.878 0.00 0 438 B
|
||||
ATOM 3679 O OG ? SER Bxp 211 ? 30.571 44.344 45.570 0.00 0 438 B
|
||||
ATOM 3680 N N ? PRO Bxp 212 ? 27.212 41.746 47.193 0.00 0 439 B
|
||||
ATOM 3683 O O ? PRO Bxp 212 ? 27.502 39.687 45.538 -1.07 0 439 B
|
||||
ATOM 3685 C CG ? PRO Bxp 212 ? 25.063 42.030 46.210 0.00 0 439 B
|
||||
ATOM 3686 C CD ? PRO Bxp 212 ? 26.363 42.775 46.525 0.00 0 439 B
|
||||
ATOM 3689 C C ? TYR Bxp 213 ? 28.452 37.120 45.720 0.00 0 440 B
|
||||
ATOM 3690 O O ? TYR Bxp 213 ? 28.681 37.094 44.519 0.00 0 440 B
|
||||
ATOM 3699 N N ? PRO Bxp 214 ? 29.411 37.369 46.621 0.00 0 441 B
|
||||
ATOM 3700 C CA ? PRO Bxp 214 ? 30.804 37.638 46.187 0.00 0 441 B
|
||||
ATOM 3701 C C ? PRO Bxp 214 ? 31.439 36.545 45.323 0.00 0 441 B
|
||||
ATOM 3703 C CB ? PRO Bxp 214 ? 31.573 37.783 47.505 0.00 0 441 B
|
||||
ATOM 3706 N N ? GLY Bxp 215 ? 31.992 36.921 44.159 0.00 0 442 B
|
||||
ATOM 3707 C CA ? GLY Bxp 215 ? 32.598 35.981 43.265 0.00 0 442 B
|
||||
ATOM 3708 C C ? GLY Bxp 215 ? 31.630 35.052 42.556 0.00 0 442 B
|
||||
ATOM 3709 O O ? GLY Bxp 215 ? 32.021 34.395 41.605 0.00 0 442 B
|
||||
ATOM 3710 N N ? ILE Bxp 216 ? 30.363 34.987 42.973 0.00 0 443 B
|
||||
ATOM 3712 C C ? ILE Bxp 216 ? 29.102 34.842 40.748 0.00 0 443 B
|
||||
ATOM 3713 O O ? ILE Bxp 216 ? 28.851 36.052 40.595 -4.02 0 443 B
|
||||
ATOM 3731 C CG ? LEU Bxp 218 ? 26.746 38.765 37.215 0.00 0 445 B
|
||||
ATOM 3732 C CD1 ? LEU Bxp 218 ? 26.904 39.928 36.336 0.00 0 445 B
|
||||
ATOM 3733 C CD2 ? LEU Bxp 218 ? 25.994 39.197 38.463 0.00 0 445 B
|
||||
ATOM 3305 N N ? ASP Bxp 164 ? 29.908 45.575 36.198 0.00 0 391 B
|
||||
ATOM 3306 C CA ? ASP Bxp 164 ? 28.891 44.496 36.165 0.00 0 391 B
|
||||
ATOM 3307 C C ? ASP Bxp 164 ? 27.840 44.547 37.321 0.00 0 391 B
|
||||
ATOM 3308 O O ? ASP Bxp 164 ? 27.151 43.554 37.600 -1.21 0 391 B
|
||||
ATOM 3309 C CB ? ASP Bxp 164 ? 29.556 43.103 36.104 0.00 0 391 B
|
||||
ATOM 3310 N N ? THR Bxp 165 ? 27.717 45.708 37.984 -1.09 0 392 B
|
||||
ATOM 3311 C CA ? THR Bxp 165 ? 26.568 46.000 38.856 0.00 0 392 B
|
||||
ATOM 3312 C C ? THR Bxp 165 ? 25.293 45.859 38.052 0.00 0 392 B
|
||||
ATOM 3313 O O ? THR Bxp 165 ? 24.462 45.035 38.384 -2.14 0 392 B
|
||||
ATOM 3314 C CB ? THR Bxp 165 ? 26.698 47.367 39.497 0.00 0 392 B
|
||||
ATOM 3315 O OG1 ? THR Bxp 165 ? 27.785 47.295 40.411 -2.69 0 392 B
|
||||
ATOM 3392 N N ? ILE Bxp 176 ? 21.472 42.362 38.641 0.00 0 403 B
|
||||
ATOM 3393 C CA ? ILE Bxp 176 ? 21.108 40.929 38.881 0.00 0 403 B
|
||||
ATOM 3394 C C ? ILE Bxp 176 ? 21.071 40.558 40.347 0.00 0 403 B
|
||||
ATOM 3396 C CB ? ILE Bxp 176 ? 21.966 39.989 38.044 0.00 0 403 B
|
||||
ATOM 3400 N N ? LYS Bxp 177 ? 22.059 41.042 41.095 0.00 0 404 B
|
||||
ATOM 3401 C CA ? LYS Bxp 177 ? 22.185 40.603 42.480 0.00 0 404 B
|
||||
ATOM 3404 C CB ? LYS Bxp 177 ? 23.625 40.732 42.913 0.00 0 404 B
|
||||
ATOM 3405 C CG ? LYS Bxp 177 ? 24.464 39.615 42.306 0.00 0 404 B
|
||||
ATOM 3406 C CD ? LYS Bxp 177 ? 25.964 39.772 42.543 0.00 0 404 B
|
||||
ATOM 3407 C CE ? LYS Bxp 177 ? 26.663 38.511 41.999 0.00 0 404 B
|
||||
ATOM 3408 N NZ ? LYS Bxp 177 ? 28.079 38.314 42.470 0.00 0 404 B
|
||||
ATOM 3419 C CE3 ? TRP Bxp 178 ? 22.913 44.513 43.164 0.00 0 405 B
|
||||
ATOM 3421 C CZ3 ? TRP Bxp 178 ? 24.294 44.617 43.200 0.00 0 405 B
|
||||
ATOM 3422 C CH2 ? TRP Bxp 178 ? 24.948 45.190 44.295 0.00 0 405 B
|
||||
ATOM 3675 C CA ? SER Bxp 211 ? 29.156 43.225 47.157 0.00 0 438 B
|
||||
ATOM 3676 C C ? SER Bxp 211 ? 28.502 41.873 47.480 0.00 0 438 B
|
||||
ATOM 3677 O O ? SER Bxp 211 ? 29.157 40.946 47.931 -1.07 0 438 B
|
||||
ATOM 3678 C CB ? SER Bxp 211 ? 30.018 43.102 45.878 0.00 0 438 B
|
||||
ATOM 3679 O OG ? SER Bxp 211 ? 30.571 44.344 45.570 0.00 0 438 B
|
||||
ATOM 3680 N N ? PRO Bxp 212 ? 27.212 41.746 47.193 0.00 0 439 B
|
||||
ATOM 3683 O O ? PRO Bxp 212 ? 27.502 39.687 45.538 -1.07 0 439 B
|
||||
ATOM 3685 C CG ? PRO Bxp 212 ? 25.063 42.030 46.210 0.00 0 439 B
|
||||
ATOM 3686 C CD ? PRO Bxp 212 ? 26.363 42.775 46.525 0.00 0 439 B
|
||||
ATOM 3689 C C ? TYR Bxp 213 ? 28.452 37.120 45.720 0.00 0 440 B
|
||||
ATOM 3690 O O ? TYR Bxp 213 ? 28.681 37.094 44.519 0.00 0 440 B
|
||||
ATOM 3699 N N ? PRO Bxp 214 ? 29.411 37.369 46.621 0.00 0 441 B
|
||||
ATOM 3700 C CA ? PRO Bxp 214 ? 30.804 37.638 46.187 0.00 0 441 B
|
||||
ATOM 3701 C C ? PRO Bxp 214 ? 31.439 36.545 45.323 0.00 0 441 B
|
||||
ATOM 3703 C CB ? PRO Bxp 214 ? 31.573 37.783 47.505 0.00 0 441 B
|
||||
ATOM 3706 N N ? GLY Bxp 215 ? 31.992 36.921 44.159 0.00 0 442 B
|
||||
ATOM 3707 C CA ? GLY Bxp 215 ? 32.598 35.981 43.265 0.00 0 442 B
|
||||
ATOM 3708 C C ? GLY Bxp 215 ? 31.630 35.052 42.556 0.00 0 442 B
|
||||
ATOM 3709 O O ? GLY Bxp 215 ? 32.021 34.395 41.605 0.00 0 442 B
|
||||
ATOM 3710 N N ? ILE Bxp 216 ? 30.363 34.987 42.973 0.00 0 443 B
|
||||
ATOM 3712 C C ? ILE Bxp 216 ? 29.102 34.842 40.748 0.00 0 443 B
|
||||
ATOM 3713 O O ? ILE Bxp 216 ? 28.851 36.052 40.595 -4.02 0 443 B
|
||||
ATOM 3731 C CG ? LEU Bxp 218 ? 26.746 38.765 37.215 0.00 0 445 B
|
||||
ATOM 3732 C CD1 ? LEU Bxp 218 ? 26.904 39.928 36.336 0.00 0 445 B
|
||||
ATOM 3733 C CD2 ? LEU Bxp 218 ? 25.994 39.197 38.463 0.00 0 445 B
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 31:
|
||||
6 - Hydrophobicity Score : 14.5000
|
||||
7 - Polarity Score : 3
|
||||
8 - Amino Acid based volume Score : 4.1250
|
||||
9 - Pocket volume (Monte Carlo) : 320.2232
|
||||
9 - Pocket volume (Monte Carlo) : 321.3664
|
||||
10 -Pocket volume (convex hull) : 18.5779
|
||||
11 - Charge Score : 0
|
||||
12 - Local hydrophobic density Score : 19.0000
|
||||
@@ -39,26 +39,26 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 578 C CE1 ? PHE Axp 84 ? 9.022 7.022 32.326 0.00 0 311 A
|
||||
ATOM 347 C CB ? VAL Axp 53 ? 9.518 11.423 34.079 0.00 0 280 A
|
||||
ATOM 318 C CB ? ASP Axp 49 ? 15.460 8.001 36.408 0.00 0 276 A
|
||||
ATOM 576 C CD1 ? PHE Axp 84 ? 10.020 7.279 31.353 0.00 0 311 A
|
||||
ATOM 325 O O ? THR Axp 50 ? 13.753 11.886 36.017 -0.54 0 277 A
|
||||
ATOM 321 O OD2 ? ASP Axp 49 ? 14.516 5.990 37.244 -0.95 0 276 A
|
||||
ATOM 349 C CG2 ? VAL Axp 53 ? 8.506 10.392 33.534 0.00 0 280 A
|
||||
ATOM 561 C CG ? PRO Axp 82 ? 10.732 3.280 34.195 0.00 0 309 A
|
||||
ATOM 348 C CG1 ? VAL Axp 53 ? 9.081 12.091 35.427 0.00 0 280 A
|
||||
ATOM 319 C CG ? ASP Axp 49 ? 15.469 6.493 36.614 0.00 0 276 A
|
||||
ATOM 560 C CB ? PRO Axp 82 ? 12.030 2.927 33.492 0.00 0 309 A
|
||||
ATOM 564 C CA ? PRO Axp 83 ? 14.000 2.962 30.575 0.00 0 310 A
|
||||
ATOM 320 O OD1 ? ASP Axp 49 ? 16.422 5.816 36.164 -0.95 0 276 A
|
||||
ATOM 568 C CG ? PRO Axp 83 ? 15.808 1.347 30.237 0.00 0 310 A
|
||||
ATOM 563 N N ? PRO Axp 83 ? 13.592 1.581 30.904 0.00 0 310 A
|
||||
ATOM 304 O O ? LEU Axp 46 ? 16.573 7.011 31.379 -2.14 0 273 A
|
||||
ATOM 570 N N ? PHE Axp 84 ? 12.779 4.833 29.577 0.00 0 311 A
|
||||
ATOM 567 C CB ? PRO Axp 83 ? 15.457 2.812 30.082 0.00 0 310 A
|
||||
ATOM 312 O O ? LYS Axp 47 ? 19.128 6.617 33.897 0.00 0 274 A
|
||||
ATOM 308 C CD2 ? LEU Axp 46 ? 12.808 10.745 31.273 0.00 0 273 A
|
||||
ATOM 306 C CG ? LEU Axp 46 ? 14.285 10.407 31.218 0.00 0 273 A
|
||||
ATOM 305 C CB ? LEU Axp 46 ? 14.483 9.154 30.366 0.00 0 273 A
|
||||
ATOM 578 C CE1 ? PHE Axp 84 ? 9.022 7.022 32.326 0.00 0 311 A
|
||||
ATOM 347 C CB ? VAL Axp 53 ? 9.518 11.423 34.079 0.00 0 280 A
|
||||
ATOM 318 C CB ? ASP Axp 49 ? 15.460 8.001 36.408 0.00 0 276 A
|
||||
ATOM 576 C CD1 ? PHE Axp 84 ? 10.020 7.279 31.353 0.00 0 311 A
|
||||
ATOM 325 O O ? THR Axp 50 ? 13.753 11.886 36.017 -0.54 0 277 A
|
||||
ATOM 321 O OD2 ? ASP Axp 49 ? 14.516 5.990 37.244 -0.95 0 276 A
|
||||
ATOM 349 C CG2 ? VAL Axp 53 ? 8.506 10.392 33.534 0.00 0 280 A
|
||||
ATOM 561 C CG ? PRO Axp 82 ? 10.732 3.280 34.195 0.00 0 309 A
|
||||
ATOM 348 C CG1 ? VAL Axp 53 ? 9.081 12.091 35.427 0.00 0 280 A
|
||||
ATOM 319 C CG ? ASP Axp 49 ? 15.469 6.493 36.614 0.00 0 276 A
|
||||
ATOM 560 C CB ? PRO Axp 82 ? 12.030 2.927 33.492 0.00 0 309 A
|
||||
ATOM 564 C CA ? PRO Axp 83 ? 14.000 2.962 30.575 0.00 0 310 A
|
||||
ATOM 320 O OD1 ? ASP Axp 49 ? 16.422 5.816 36.164 -0.95 0 276 A
|
||||
ATOM 568 C CG ? PRO Axp 83 ? 15.808 1.347 30.237 0.00 0 310 A
|
||||
ATOM 563 N N ? PRO Axp 83 ? 13.592 1.581 30.904 0.00 0 310 A
|
||||
ATOM 304 O O ? LEU Axp 46 ? 16.573 7.011 31.379 -2.14 0 273 A
|
||||
ATOM 570 N N ? PHE Axp 84 ? 12.779 4.833 29.577 0.00 0 311 A
|
||||
ATOM 567 C CB ? PRO Axp 83 ? 15.457 2.812 30.082 0.00 0 310 A
|
||||
ATOM 312 O O ? LYS Axp 47 ? 19.128 6.617 33.897 0.00 0 274 A
|
||||
ATOM 308 C CD2 ? LEU Axp 46 ? 12.808 10.745 31.273 0.00 0 273 A
|
||||
ATOM 306 C CG ? LEU Axp 46 ? 14.285 10.407 31.218 0.00 0 273 A
|
||||
ATOM 305 C CB ? LEU Axp 46 ? 14.483 9.154 30.366 0.00 0 273 A
|
||||
#
|
||||
|
||||
@@ -17,38 +17,38 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 302 C CA ? LEU Axp 46 ? 15.918 8.854 29.945 0.00 0 273 A
|
||||
ATOM 303 C C ? LEU Axp 46 ? 16.720 8.211 31.087 0.00 0 273 A
|
||||
ATOM 304 O O ? LEU Axp 46 ? 16.573 7.011 31.379 -2.14 0 273 A
|
||||
ATOM 305 C CB ? LEU Axp 46 ? 14.483 9.154 30.366 0.00 0 273 A
|
||||
ATOM 306 C CG ? LEU Axp 46 ? 14.285 10.407 31.218 0.00 0 273 A
|
||||
ATOM 308 C CD2 ? LEU Axp 46 ? 12.808 10.745 31.273 0.00 0 273 A
|
||||
ATOM 311 C C ? LYS Axp 47 ? 18.202 7.333 33.490 0.00 0 274 A
|
||||
ATOM 312 O O ? LYS Axp 47 ? 19.128 6.617 33.897 0.00 0 274 A
|
||||
ATOM 318 C CB ? ASP Axp 49 ? 15.460 8.001 36.408 0.00 0 276 A
|
||||
ATOM 319 C CG ? ASP Axp 49 ? 15.469 6.493 36.614 0.00 0 276 A
|
||||
ATOM 320 O OD1 ? ASP Axp 49 ? 16.422 5.816 36.164 -0.95 0 276 A
|
||||
ATOM 321 O OD2 ? ASP Axp 49 ? 14.516 5.990 37.244 -0.95 0 276 A
|
||||
ATOM 325 O O ? THR Axp 50 ? 13.753 11.886 36.017 -0.54 0 277 A
|
||||
ATOM 344 C CA ? VAL Axp 53 ? 9.902 12.497 32.989 0.00 0 280 A
|
||||
ATOM 347 C CB ? VAL Axp 53 ? 9.518 11.423 34.079 0.00 0 280 A
|
||||
ATOM 348 C CG1 ? VAL Axp 53 ? 9.081 12.091 35.427 0.00 0 280 A
|
||||
ATOM 349 C CG2 ? VAL Axp 53 ? 8.506 10.392 33.534 0.00 0 280 A
|
||||
ATOM 557 C CA ? PRO Axp 82 ? 11.584 2.421 32.113 0.00 0 309 A
|
||||
ATOM 558 C C ? PRO Axp 82 ? 12.478 1.262 31.610 0.00 0 309 A
|
||||
ATOM 560 C CB ? PRO Axp 82 ? 12.030 2.927 33.492 0.00 0 309 A
|
||||
ATOM 561 C CG ? PRO Axp 82 ? 10.732 3.280 34.195 0.00 0 309 A
|
||||
ATOM 563 N N ? PRO Axp 83 ? 13.592 1.581 30.904 0.00 0 310 A
|
||||
ATOM 564 C CA ? PRO Axp 83 ? 14.000 2.962 30.575 0.00 0 310 A
|
||||
ATOM 565 C C ? PRO Axp 83 ? 13.073 3.538 29.477 0.00 0 310 A
|
||||
ATOM 567 C CB ? PRO Axp 83 ? 15.457 2.812 30.082 0.00 0 310 A
|
||||
ATOM 568 C CG ? PRO Axp 83 ? 15.808 1.347 30.237 0.00 0 310 A
|
||||
ATOM 569 C CD ? PRO Axp 83 ? 14.509 0.587 30.313 0.00 0 310 A
|
||||
ATOM 570 N N ? PHE Axp 84 ? 12.779 4.833 29.577 0.00 0 311 A
|
||||
ATOM 571 C CA ? PHE Axp 84 ? 11.890 5.469 28.614 0.00 0 311 A
|
||||
ATOM 574 C CB ? PHE Axp 84 ? 11.248 6.723 29.215 0.00 0 311 A
|
||||
ATOM 575 C CG ? PHE Axp 84 ? 10.188 6.434 30.264 0.00 0 311 A
|
||||
ATOM 576 C CD1 ? PHE Axp 84 ? 10.020 7.279 31.353 0.00 0 311 A
|
||||
ATOM 578 C CE1 ? PHE Axp 84 ? 9.022 7.022 32.326 0.00 0 311 A
|
||||
ATOM 580 C CZ ? PHE Axp 84 ? 8.195 5.904 32.211 0.00 0 311 A
|
||||
ATOM 302 C CA ? LEU Axp 46 ? 15.918 8.854 29.945 0.00 0 273 A
|
||||
ATOM 303 C C ? LEU Axp 46 ? 16.720 8.211 31.087 0.00 0 273 A
|
||||
ATOM 304 O O ? LEU Axp 46 ? 16.573 7.011 31.379 -2.14 0 273 A
|
||||
ATOM 305 C CB ? LEU Axp 46 ? 14.483 9.154 30.366 0.00 0 273 A
|
||||
ATOM 306 C CG ? LEU Axp 46 ? 14.285 10.407 31.218 0.00 0 273 A
|
||||
ATOM 308 C CD2 ? LEU Axp 46 ? 12.808 10.745 31.273 0.00 0 273 A
|
||||
ATOM 311 C C ? LYS Axp 47 ? 18.202 7.333 33.490 0.00 0 274 A
|
||||
ATOM 312 O O ? LYS Axp 47 ? 19.128 6.617 33.897 0.00 0 274 A
|
||||
ATOM 318 C CB ? ASP Axp 49 ? 15.460 8.001 36.408 0.00 0 276 A
|
||||
ATOM 319 C CG ? ASP Axp 49 ? 15.469 6.493 36.614 0.00 0 276 A
|
||||
ATOM 320 O OD1 ? ASP Axp 49 ? 16.422 5.816 36.164 -0.95 0 276 A
|
||||
ATOM 321 O OD2 ? ASP Axp 49 ? 14.516 5.990 37.244 -0.95 0 276 A
|
||||
ATOM 325 O O ? THR Axp 50 ? 13.753 11.886 36.017 -0.54 0 277 A
|
||||
ATOM 344 C CA ? VAL Axp 53 ? 9.902 12.497 32.989 0.00 0 280 A
|
||||
ATOM 347 C CB ? VAL Axp 53 ? 9.518 11.423 34.079 0.00 0 280 A
|
||||
ATOM 348 C CG1 ? VAL Axp 53 ? 9.081 12.091 35.427 0.00 0 280 A
|
||||
ATOM 349 C CG2 ? VAL Axp 53 ? 8.506 10.392 33.534 0.00 0 280 A
|
||||
ATOM 557 C CA ? PRO Axp 82 ? 11.584 2.421 32.113 0.00 0 309 A
|
||||
ATOM 558 C C ? PRO Axp 82 ? 12.478 1.262 31.610 0.00 0 309 A
|
||||
ATOM 560 C CB ? PRO Axp 82 ? 12.030 2.927 33.492 0.00 0 309 A
|
||||
ATOM 561 C CG ? PRO Axp 82 ? 10.732 3.280 34.195 0.00 0 309 A
|
||||
ATOM 563 N N ? PRO Axp 83 ? 13.592 1.581 30.904 0.00 0 310 A
|
||||
ATOM 564 C CA ? PRO Axp 83 ? 14.000 2.962 30.575 0.00 0 310 A
|
||||
ATOM 565 C C ? PRO Axp 83 ? 13.073 3.538 29.477 0.00 0 310 A
|
||||
ATOM 567 C CB ? PRO Axp 83 ? 15.457 2.812 30.082 0.00 0 310 A
|
||||
ATOM 568 C CG ? PRO Axp 83 ? 15.808 1.347 30.237 0.00 0 310 A
|
||||
ATOM 569 C CD ? PRO Axp 83 ? 14.509 0.587 30.313 0.00 0 310 A
|
||||
ATOM 570 N N ? PHE Axp 84 ? 12.779 4.833 29.577 0.00 0 311 A
|
||||
ATOM 571 C CA ? PHE Axp 84 ? 11.890 5.469 28.614 0.00 0 311 A
|
||||
ATOM 574 C CB ? PHE Axp 84 ? 11.248 6.723 29.215 0.00 0 311 A
|
||||
ATOM 575 C CG ? PHE Axp 84 ? 10.188 6.434 30.264 0.00 0 311 A
|
||||
ATOM 576 C CD1 ? PHE Axp 84 ? 10.020 7.279 31.353 0.00 0 311 A
|
||||
ATOM 578 C CE1 ? PHE Axp 84 ? 9.022 7.022 32.326 0.00 0 311 A
|
||||
ATOM 580 C CZ ? PHE Axp 84 ? 8.195 5.904 32.211 0.00 0 311 A
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 32:
|
||||
6 - Hydrophobicity Score : 37.2000
|
||||
7 - Polarity Score : 5
|
||||
8 - Amino Acid based volume Score : 5.0000
|
||||
9 - Pocket volume (Monte Carlo) : 344.8321
|
||||
9 - Pocket volume (Monte Carlo) : 350.9174
|
||||
10 -Pocket volume (convex hull) : 14.9179
|
||||
11 - Charge Score : 3
|
||||
12 - Local hydrophobic density Score : 8.0000
|
||||
@@ -39,22 +39,22 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 2552 O O ? HIS Bxp 68 ? 11.190 62.764 53.093 -4.69 0 295 B
|
||||
ATOM 2594 C CG ? GLN Bxp 73 ? 13.080 68.321 50.358 0.00 0 300 B
|
||||
ATOM 2548 C CB ? LYS Bxp 67 ? 6.504 65.116 50.895 0.00 0 294 B
|
||||
ATOM 2597 N NE2 ? GLN Bxp 73 ? 12.729 70.253 51.868 0.00 0 300 B
|
||||
ATOM 2549 N N ? HIS Bxp 68 ? 8.770 62.722 52.136 0.00 0 295 B
|
||||
ATOM 2100 C CH2 ? TRP Bxp 8 ? 8.021 70.120 46.212 0.00 0 235 B
|
||||
ATOM 2601 O O ? LEU Bxp 74 ? 11.642 69.555 47.135 -1.48 0 301 B
|
||||
ATOM 2595 C CD ? GLN Bxp 73 ? 13.604 69.305 51.438 0.00 0 300 B
|
||||
ATOM 3222 N NZ ? LYS Bxp 151 ? 15.951 64.984 53.909 0.00 0 378 B
|
||||
ATOM 2596 O OE1 ? GLN Bxp 73 ? 14.783 69.222 51.879 -1.88 0 300 B
|
||||
ATOM 2560 C CA ? PRO Bxp 69 ? 11.828 62.498 55.801 0.00 0 296 B
|
||||
ATOM 2545 C CA ? LYS Bxp 67 ? 7.422 63.917 50.500 0.00 0 294 B
|
||||
ATOM 2590 C CA ? GLN Bxp 73 ? 13.804 66.159 48.996 0.00 0 300 B
|
||||
ATOM 2539 O O ? ILE Bxp 66 ? 7.780 64.424 47.789 -7.50 0 293 B
|
||||
ATOM 2585 O O ? VAL Bxp 72 ? 13.589 63.555 47.823 -6.43 0 299 B
|
||||
ATOM 2598 N N ? LEU Bxp 74 ? 12.978 66.960 46.855 -1.09 0 301 B
|
||||
ATOM 2577 O O ? LEU Bxp 71 ? 13.536 62.679 50.816 0.00 0 298 B
|
||||
ATOM 2593 C CB ? GLN Bxp 73 ? 13.894 67.022 50.290 0.00 0 300 B
|
||||
ATOM 2552 O O ? HIS Bxp 68 ? 11.190 62.764 53.093 -4.69 0 295 B
|
||||
ATOM 2594 C CG ? GLN Bxp 73 ? 13.080 68.321 50.358 0.00 0 300 B
|
||||
ATOM 2548 C CB ? LYS Bxp 67 ? 6.504 65.116 50.895 0.00 0 294 B
|
||||
ATOM 2597 N NE2 ? GLN Bxp 73 ? 12.729 70.253 51.868 0.00 0 300 B
|
||||
ATOM 2549 N N ? HIS Bxp 68 ? 8.770 62.722 52.136 0.00 0 295 B
|
||||
ATOM 2100 C CH2 ? TRP Bxp 8 ? 8.021 70.120 46.212 0.00 0 235 B
|
||||
ATOM 2601 O O ? LEU Bxp 74 ? 11.642 69.555 47.135 -1.48 0 301 B
|
||||
ATOM 2595 C CD ? GLN Bxp 73 ? 13.604 69.305 51.438 0.00 0 300 B
|
||||
ATOM 3222 N NZ ? LYS Bxp 151 ? 15.951 64.984 53.909 0.00 0 378 B
|
||||
ATOM 2596 O OE1 ? GLN Bxp 73 ? 14.783 69.222 51.879 -1.88 0 300 B
|
||||
ATOM 2560 C CA ? PRO Bxp 69 ? 11.828 62.498 55.801 0.00 0 296 B
|
||||
ATOM 2545 C CA ? LYS Bxp 67 ? 7.422 63.917 50.500 0.00 0 294 B
|
||||
ATOM 2590 C CA ? GLN Bxp 73 ? 13.804 66.159 48.996 0.00 0 300 B
|
||||
ATOM 2539 O O ? ILE Bxp 66 ? 7.780 64.424 47.789 -7.50 0 293 B
|
||||
ATOM 2585 O O ? VAL Bxp 72 ? 13.589 63.555 47.823 -6.43 0 299 B
|
||||
ATOM 2598 N N ? LEU Bxp 74 ? 12.978 66.960 46.855 -1.09 0 301 B
|
||||
ATOM 2577 O O ? LEU Bxp 71 ? 13.536 62.679 50.816 0.00 0 298 B
|
||||
ATOM 2593 C CB ? GLN Bxp 73 ? 13.894 67.022 50.290 0.00 0 300 B
|
||||
#
|
||||
|
||||
@@ -17,41 +17,41 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 2098 C CZ2 ? TRP Bxp 8 ? 6.790 69.994 45.595 0.00 0 235 B
|
||||
ATOM 2099 C CZ3 ? TRP Bxp 8 ? 9.064 70.864 45.620 0.00 0 235 B
|
||||
ATOM 2100 C CH2 ? TRP Bxp 8 ? 8.021 70.120 46.212 0.00 0 235 B
|
||||
ATOM 2538 C C ? ILE Bxp 66 ? 7.161 63.422 48.167 0.00 0 293 B
|
||||
ATOM 2539 O O ? ILE Bxp 66 ? 7.780 64.424 47.789 -7.50 0 293 B
|
||||
ATOM 2544 N N ? LYS Bxp 67 ? 6.861 63.173 49.437 0.00 0 294 B
|
||||
ATOM 2545 C CA ? LYS Bxp 67 ? 7.422 63.917 50.500 0.00 0 294 B
|
||||
ATOM 2546 C C ? LYS Bxp 67 ? 7.553 62.953 51.657 0.00 0 294 B
|
||||
ATOM 2548 C CB ? LYS Bxp 67 ? 6.504 65.116 50.895 0.00 0 294 B
|
||||
ATOM 2549 N N ? HIS Bxp 68 ? 8.770 62.722 52.136 0.00 0 295 B
|
||||
ATOM 2550 C CA ? HIS Bxp 68 ? 8.991 61.888 53.306 0.00 0 295 B
|
||||
ATOM 2551 C C ? HIS Bxp 68 ? 10.325 62.284 53.850 0.00 0 295 B
|
||||
ATOM 2552 O O ? HIS Bxp 68 ? 11.190 62.764 53.093 -4.69 0 295 B
|
||||
ATOM 2559 N N ? PRO Bxp 69 ? 10.515 62.185 55.179 0.00 0 296 B
|
||||
ATOM 2560 C CA ? PRO Bxp 69 ? 11.828 62.498 55.801 0.00 0 296 B
|
||||
ATOM 2561 C C ? PRO Bxp 69 ? 13.029 61.650 55.401 0.00 0 296 B
|
||||
ATOM 2562 O O ? PRO Bxp 69 ? 14.205 62.058 55.580 -3.21 0 296 B
|
||||
ATOM 2563 C CB ? PRO Bxp 69 ? 11.564 62.397 57.308 0.00 0 296 B
|
||||
ATOM 2576 C C ? LEU Bxp 71 ? 13.846 61.648 50.258 0.00 0 298 B
|
||||
ATOM 2577 O O ? LEU Bxp 71 ? 13.536 62.679 50.816 0.00 0 298 B
|
||||
ATOM 2578 C CB ? LEU Bxp 71 ? 11.847 60.163 50.003 0.00 0 298 B
|
||||
ATOM 2584 C C ? VAL Bxp 72 ? 14.568 63.839 48.524 0.00 0 299 B
|
||||
ATOM 2585 O O ? VAL Bxp 72 ? 13.589 63.555 47.823 -6.43 0 299 B
|
||||
ATOM 2589 N N ? GLN Bxp 73 ? 14.804 65.056 49.026 0.00 0 300 B
|
||||
ATOM 2590 C CA ? GLN Bxp 73 ? 13.804 66.159 48.996 0.00 0 300 B
|
||||
ATOM 2591 C C ? GLN Bxp 73 ? 13.976 67.021 47.738 0.00 0 300 B
|
||||
ATOM 2593 C CB ? GLN Bxp 73 ? 13.894 67.022 50.290 0.00 0 300 B
|
||||
ATOM 2594 C CG ? GLN Bxp 73 ? 13.080 68.321 50.358 0.00 0 300 B
|
||||
ATOM 2595 C CD ? GLN Bxp 73 ? 13.604 69.305 51.438 0.00 0 300 B
|
||||
ATOM 2596 O OE1 ? GLN Bxp 73 ? 14.783 69.222 51.879 -1.88 0 300 B
|
||||
ATOM 2597 N NE2 ? GLN Bxp 73 ? 12.729 70.253 51.868 0.00 0 300 B
|
||||
ATOM 2598 N N ? LEU Bxp 74 ? 12.978 66.960 46.855 -1.09 0 301 B
|
||||
ATOM 2599 C CA ? LEU Bxp 74 ? 12.751 67.909 45.778 0.00 0 301 B
|
||||
ATOM 2600 C C ? LEU Bxp 74 ? 12.544 69.318 46.298 0.00 0 301 B
|
||||
ATOM 2601 O O ? LEU Bxp 74 ? 11.642 69.555 47.135 -1.48 0 301 B
|
||||
ATOM 2602 C CB ? LEU Bxp 74 ? 11.545 67.505 44.911 0.00 0 301 B
|
||||
ATOM 3222 N NZ ? LYS Bxp 151 ? 15.951 64.984 53.909 0.00 0 378 B
|
||||
ATOM 2098 C CZ2 ? TRP Bxp 8 ? 6.790 69.994 45.595 0.00 0 235 B
|
||||
ATOM 2099 C CZ3 ? TRP Bxp 8 ? 9.064 70.864 45.620 0.00 0 235 B
|
||||
ATOM 2100 C CH2 ? TRP Bxp 8 ? 8.021 70.120 46.212 0.00 0 235 B
|
||||
ATOM 2538 C C ? ILE Bxp 66 ? 7.161 63.422 48.167 0.00 0 293 B
|
||||
ATOM 2539 O O ? ILE Bxp 66 ? 7.780 64.424 47.789 -7.50 0 293 B
|
||||
ATOM 2544 N N ? LYS Bxp 67 ? 6.861 63.173 49.437 0.00 0 294 B
|
||||
ATOM 2545 C CA ? LYS Bxp 67 ? 7.422 63.917 50.500 0.00 0 294 B
|
||||
ATOM 2546 C C ? LYS Bxp 67 ? 7.553 62.953 51.657 0.00 0 294 B
|
||||
ATOM 2548 C CB ? LYS Bxp 67 ? 6.504 65.116 50.895 0.00 0 294 B
|
||||
ATOM 2549 N N ? HIS Bxp 68 ? 8.770 62.722 52.136 0.00 0 295 B
|
||||
ATOM 2550 C CA ? HIS Bxp 68 ? 8.991 61.888 53.306 0.00 0 295 B
|
||||
ATOM 2551 C C ? HIS Bxp 68 ? 10.325 62.284 53.850 0.00 0 295 B
|
||||
ATOM 2552 O O ? HIS Bxp 68 ? 11.190 62.764 53.093 -4.69 0 295 B
|
||||
ATOM 2559 N N ? PRO Bxp 69 ? 10.515 62.185 55.179 0.00 0 296 B
|
||||
ATOM 2560 C CA ? PRO Bxp 69 ? 11.828 62.498 55.801 0.00 0 296 B
|
||||
ATOM 2561 C C ? PRO Bxp 69 ? 13.029 61.650 55.401 0.00 0 296 B
|
||||
ATOM 2562 O O ? PRO Bxp 69 ? 14.205 62.058 55.580 -3.21 0 296 B
|
||||
ATOM 2563 C CB ? PRO Bxp 69 ? 11.564 62.397 57.308 0.00 0 296 B
|
||||
ATOM 2576 C C ? LEU Bxp 71 ? 13.846 61.648 50.258 0.00 0 298 B
|
||||
ATOM 2577 O O ? LEU Bxp 71 ? 13.536 62.679 50.816 0.00 0 298 B
|
||||
ATOM 2578 C CB ? LEU Bxp 71 ? 11.847 60.163 50.003 0.00 0 298 B
|
||||
ATOM 2584 C C ? VAL Bxp 72 ? 14.568 63.839 48.524 0.00 0 299 B
|
||||
ATOM 2585 O O ? VAL Bxp 72 ? 13.589 63.555 47.823 -6.43 0 299 B
|
||||
ATOM 2589 N N ? GLN Bxp 73 ? 14.804 65.056 49.026 0.00 0 300 B
|
||||
ATOM 2590 C CA ? GLN Bxp 73 ? 13.804 66.159 48.996 0.00 0 300 B
|
||||
ATOM 2591 C C ? GLN Bxp 73 ? 13.976 67.021 47.738 0.00 0 300 B
|
||||
ATOM 2593 C CB ? GLN Bxp 73 ? 13.894 67.022 50.290 0.00 0 300 B
|
||||
ATOM 2594 C CG ? GLN Bxp 73 ? 13.080 68.321 50.358 0.00 0 300 B
|
||||
ATOM 2595 C CD ? GLN Bxp 73 ? 13.604 69.305 51.438 0.00 0 300 B
|
||||
ATOM 2596 O OE1 ? GLN Bxp 73 ? 14.783 69.222 51.879 -1.88 0 300 B
|
||||
ATOM 2597 N NE2 ? GLN Bxp 73 ? 12.729 70.253 51.868 0.00 0 300 B
|
||||
ATOM 2598 N N ? LEU Bxp 74 ? 12.978 66.960 46.855 -1.09 0 301 B
|
||||
ATOM 2599 C CA ? LEU Bxp 74 ? 12.751 67.909 45.778 0.00 0 301 B
|
||||
ATOM 2600 C C ? LEU Bxp 74 ? 12.544 69.318 46.298 0.00 0 301 B
|
||||
ATOM 2601 O O ? LEU Bxp 74 ? 11.642 69.555 47.135 -1.48 0 301 B
|
||||
ATOM 2602 C CB ? LEU Bxp 74 ? 11.545 67.505 44.911 0.00 0 301 B
|
||||
ATOM 3222 N NZ ? LYS Bxp 151 ? 15.951 64.984 53.909 0.00 0 378 B
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 33:
|
||||
6 - Hydrophobicity Score : 21.2500
|
||||
7 - Polarity Score : 12
|
||||
8 - Amino Acid based volume Score : 4.6875
|
||||
9 - Pocket volume (Monte Carlo) : 434.0416
|
||||
9 - Pocket volume (Monte Carlo) : 440.8528
|
||||
10 -Pocket volume (convex hull) : 79.9433
|
||||
11 - Charge Score : -1
|
||||
12 - Local hydrophobic density Score : 8.0000
|
||||
@@ -39,33 +39,33 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 5991 O OE2 ? GLU Cxp 239 ? 33.082 48.141 38.837 -4.43 0 466 C
|
||||
ATOM 2820 N NH1 ? ARG Bxp 101 ? 32.415 49.637 46.867 0.00 0 328 B
|
||||
ATOM 3315 O OG1 ? THR Bxp 165 ? 27.785 47.295 40.411 -2.69 0 392 B
|
||||
ATOM 3679 O OG ? SER Bxp 211 ? 30.571 44.344 45.570 0.00 0 438 B
|
||||
ATOM 3628 O OE1 ? GLU Bxp 204 ? 25.049 47.777 48.346 0.00 0 431 B
|
||||
ATOM 3675 C CA ? SER Bxp 211 ? 29.156 43.225 47.157 0.00 0 438 B
|
||||
ATOM 3422 C CH2 ? TRP Bxp 178 ? 24.948 45.190 44.295 0.00 0 405 B
|
||||
ATOM 3420 C CZ2 ? TRP Bxp 178 ? 24.271 45.652 45.407 0.00 0 405 B
|
||||
ATOM 2821 N NH2 ? ARG Bxp 101 ? 31.115 47.833 47.466 -2.61 0 328 B
|
||||
ATOM 3669 O O ? MET Bxp 210 ? 28.182 44.516 49.518 0.00 0 437 B
|
||||
ATOM 2242 C CE2 ? TYR Bxp 26 ? 25.430 59.279 43.261 0.00 0 253 B
|
||||
ATOM 3293 C CE ? MET Bxp 161 ? 26.781 52.972 40.791 0.00 0 388 B
|
||||
ATOM 3264 C CD1 ? LEU Bxp 157 ? 23.447 54.265 41.302 0.00 0 384 B
|
||||
ATOM 3265 C CD2 ? LEU Bxp 157 ? 24.047 56.043 39.564 0.00 0 384 B
|
||||
ATOM 5990 O OE1 ? GLU Cxp 239 ? 33.030 50.320 38.639 -1.62 0 466 C
|
||||
ATOM 3291 C CG ? MET Bxp 161 ? 27.612 51.526 38.485 0.00 0 388 B
|
||||
ATOM 3292 S SD ? MET Bxp 161 ? 26.854 51.297 40.129 0.00 0 388 B
|
||||
ATOM 3299 O OG1 ? THR Bxp 162 ? 32.015 51.934 37.284 -1.21 0 389 B
|
||||
ATOM 2229 C CG ? GLN Bxp 25 ? 29.480 57.926 41.503 0.00 0 252 B
|
||||
ATOM 2232 N NE2 ? GLN Bxp 25 ? 29.244 57.286 43.822 -1.93 0 252 B
|
||||
ATOM 3131 O O ? ARG Bxp 140 ? 23.457 55.144 45.161 -1.07 0 367 B
|
||||
ATOM 3132 C CB ? ARG Bxp 140 ? 24.715 52.271 44.626 0.00 0 367 B
|
||||
ATOM 2764 C CG ? ASN Bxp 95 ? 27.203 56.454 47.356 0.00 0 322 B
|
||||
ATOM 2782 C CD2 ? LEU Bxp 97 ? 28.304 50.650 46.399 0.00 0 324 B
|
||||
ATOM 2781 C CD1 ? LEU Bxp 97 ? 27.928 49.668 48.729 0.00 0 324 B
|
||||
ATOM 3137 N NH1 ? ARG Bxp 140 ? 23.339 48.032 43.234 -2.19 0 367 B
|
||||
ATOM 3134 C CD ? ARG Bxp 140 ? 24.061 50.742 42.718 0.00 0 367 B
|
||||
ATOM 2789 O OD1 ? ASP Bxp 98 ? 31.430 54.227 47.147 -5.09 0 325 B
|
||||
ATOM 2766 N ND2 ? ASN Bxp 95 ? 27.312 55.250 47.801 -2.19 0 322 B
|
||||
ATOM 5991 O OE2 ? GLU Cxp 239 ? 33.082 48.141 38.837 -4.43 0 466 C
|
||||
ATOM 2820 N NH1 ? ARG Bxp 101 ? 32.415 49.637 46.867 0.00 0 328 B
|
||||
ATOM 3315 O OG1 ? THR Bxp 165 ? 27.785 47.295 40.411 -2.69 0 392 B
|
||||
ATOM 3679 O OG ? SER Bxp 211 ? 30.571 44.344 45.570 0.00 0 438 B
|
||||
ATOM 3628 O OE1 ? GLU Bxp 204 ? 25.049 47.777 48.346 0.00 0 431 B
|
||||
ATOM 3675 C CA ? SER Bxp 211 ? 29.156 43.225 47.157 0.00 0 438 B
|
||||
ATOM 3422 C CH2 ? TRP Bxp 178 ? 24.948 45.190 44.295 0.00 0 405 B
|
||||
ATOM 3420 C CZ2 ? TRP Bxp 178 ? 24.271 45.652 45.407 0.00 0 405 B
|
||||
ATOM 2821 N NH2 ? ARG Bxp 101 ? 31.115 47.833 47.466 -2.61 0 328 B
|
||||
ATOM 3669 O O ? MET Bxp 210 ? 28.182 44.516 49.518 0.00 0 437 B
|
||||
ATOM 2242 C CE2 ? TYR Bxp 26 ? 25.430 59.279 43.261 0.00 0 253 B
|
||||
ATOM 3293 C CE ? MET Bxp 161 ? 26.781 52.972 40.791 0.00 0 388 B
|
||||
ATOM 3264 C CD1 ? LEU Bxp 157 ? 23.447 54.265 41.302 0.00 0 384 B
|
||||
ATOM 3265 C CD2 ? LEU Bxp 157 ? 24.047 56.043 39.564 0.00 0 384 B
|
||||
ATOM 5990 O OE1 ? GLU Cxp 239 ? 33.030 50.320 38.639 -1.62 0 466 C
|
||||
ATOM 3291 C CG ? MET Bxp 161 ? 27.612 51.526 38.485 0.00 0 388 B
|
||||
ATOM 3292 S SD ? MET Bxp 161 ? 26.854 51.297 40.129 0.00 0 388 B
|
||||
ATOM 3299 O OG1 ? THR Bxp 162 ? 32.015 51.934 37.284 -1.21 0 389 B
|
||||
ATOM 2229 C CG ? GLN Bxp 25 ? 29.480 57.926 41.503 0.00 0 252 B
|
||||
ATOM 2232 N NE2 ? GLN Bxp 25 ? 29.244 57.286 43.822 -1.93 0 252 B
|
||||
ATOM 3131 O O ? ARG Bxp 140 ? 23.457 55.144 45.161 -1.07 0 367 B
|
||||
ATOM 3132 C CB ? ARG Bxp 140 ? 24.715 52.271 44.626 0.00 0 367 B
|
||||
ATOM 2764 C CG ? ASN Bxp 95 ? 27.203 56.454 47.356 0.00 0 322 B
|
||||
ATOM 2782 C CD2 ? LEU Bxp 97 ? 28.304 50.650 46.399 0.00 0 324 B
|
||||
ATOM 2781 C CD1 ? LEU Bxp 97 ? 27.928 49.668 48.729 0.00 0 324 B
|
||||
ATOM 3137 N NH1 ? ARG Bxp 140 ? 23.339 48.032 43.234 -2.19 0 367 B
|
||||
ATOM 3134 C CD ? ARG Bxp 140 ? 24.061 50.742 42.718 0.00 0 367 B
|
||||
ATOM 2789 O OD1 ? ASP Bxp 98 ? 31.430 54.227 47.147 -5.09 0 325 B
|
||||
ATOM 2766 N ND2 ? ASN Bxp 95 ? 27.312 55.250 47.801 -2.19 0 322 B
|
||||
#
|
||||
|
||||
@@ -17,62 +17,62 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 2226 C C ? GLN Bxp 25 ? 27.939 59.013 38.921 0.00 0 252 B
|
||||
ATOM 2227 O O ? GLN Bxp 25 ? 27.350 57.919 38.806 -3.21 0 252 B
|
||||
ATOM 2229 C CG ? GLN Bxp 25 ? 29.480 57.926 41.503 0.00 0 252 B
|
||||
ATOM 2230 C CD ? GLN Bxp 25 ? 29.674 58.204 42.986 0.00 0 252 B
|
||||
ATOM 2232 N NE2 ? GLN Bxp 25 ? 29.244 57.286 43.822 -1.93 0 252 B
|
||||
ATOM 2240 C CD2 ? TYR Bxp 26 ? 25.035 59.577 41.953 0.00 0 253 B
|
||||
ATOM 2242 C CE2 ? TYR Bxp 26 ? 25.430 59.279 43.261 0.00 0 253 B
|
||||
ATOM 2243 C CZ ? TYR Bxp 26 ? 26.444 59.997 43.875 0.00 0 253 B
|
||||
ATOM 2763 C CB ? ASN Bxp 95 ? 25.931 57.078 47.584 0.00 0 322 B
|
||||
ATOM 2764 C CG ? ASN Bxp 95 ? 27.203 56.454 47.356 0.00 0 322 B
|
||||
ATOM 2765 O OD1 ? ASN Bxp 95 ? 28.158 57.076 46.868 -2.14 0 322 B
|
||||
ATOM 2766 N ND2 ? ASN Bxp 95 ? 27.312 55.250 47.801 -2.19 0 322 B
|
||||
ATOM 2779 C CB ? LEU Bxp 97 ? 27.381 52.063 48.248 0.00 0 324 B
|
||||
ATOM 2780 C CG ? LEU Bxp 97 ? 28.312 50.918 47.888 0.00 0 324 B
|
||||
ATOM 2781 C CD1 ? LEU Bxp 97 ? 27.928 49.668 48.729 0.00 0 324 B
|
||||
ATOM 2782 C CD2 ? LEU Bxp 97 ? 28.304 50.650 46.399 0.00 0 324 B
|
||||
ATOM 2788 C CG ? ASP Bxp 98 ? 31.168 55.392 47.561 0.00 0 325 B
|
||||
ATOM 2789 O OD1 ? ASP Bxp 98 ? 31.430 54.227 47.147 -5.09 0 325 B
|
||||
ATOM 2790 O OD2 ? ASP Bxp 98 ? 30.977 56.310 46.763 -0.54 0 325 B
|
||||
ATOM 2819 C CZ ? ARG Bxp 101 ? 31.855 48.898 47.794 0.00 0 328 B
|
||||
ATOM 2820 N NH1 ? ARG Bxp 101 ? 32.415 49.637 46.867 0.00 0 328 B
|
||||
ATOM 2821 N NH2 ? ARG Bxp 101 ? 31.115 47.833 47.466 -2.61 0 328 B
|
||||
ATOM 3129 C CA ? ARG Bxp 140 ? 24.210 52.962 45.918 0.00 0 367 B
|
||||
ATOM 3130 C C ? ARG Bxp 140 ? 23.149 54.033 45.618 0.00 0 367 B
|
||||
ATOM 3131 O O ? ARG Bxp 140 ? 23.457 55.144 45.161 -1.07 0 367 B
|
||||
ATOM 3132 C CB ? ARG Bxp 140 ? 24.715 52.271 44.626 0.00 0 367 B
|
||||
ATOM 3133 C CG ? ARG Bxp 140 ? 23.643 51.417 43.981 0.00 0 367 B
|
||||
ATOM 3134 C CD ? ARG Bxp 140 ? 24.061 50.742 42.718 0.00 0 367 B
|
||||
ATOM 3135 N NE ? ARG Bxp 140 ? 22.920 50.005 42.161 0.00 0 367 B
|
||||
ATOM 3136 C CZ ? ARG Bxp 140 ? 22.618 48.746 42.421 0.00 0 367 B
|
||||
ATOM 3137 N NH1 ? ARG Bxp 140 ? 23.339 48.032 43.234 -2.19 0 367 B
|
||||
ATOM 3249 C CD1 ? PHE Bxp 155 ? 22.205 57.740 43.459 0.00 0 382 B
|
||||
ATOM 3263 C CG ? LEU Bxp 157 ? 23.028 54.917 40.029 0.00 0 384 B
|
||||
ATOM 3264 C CD1 ? LEU Bxp 157 ? 23.447 54.265 41.302 0.00 0 384 B
|
||||
ATOM 3265 C CD2 ? LEU Bxp 157 ? 24.047 56.043 39.564 0.00 0 384 B
|
||||
ATOM 3291 C CG ? MET Bxp 161 ? 27.612 51.526 38.485 0.00 0 388 B
|
||||
ATOM 3292 S SD ? MET Bxp 161 ? 26.854 51.297 40.129 0.00 0 388 B
|
||||
ATOM 3293 C CE ? MET Bxp 161 ? 26.781 52.972 40.791 0.00 0 388 B
|
||||
ATOM 3299 O OG1 ? THR Bxp 162 ? 32.015 51.934 37.284 -1.21 0 389 B
|
||||
ATOM 3314 C CB ? THR Bxp 165 ? 26.698 47.367 39.497 0.00 0 392 B
|
||||
ATOM 3315 O OG1 ? THR Bxp 165 ? 27.785 47.295 40.411 -2.69 0 392 B
|
||||
ATOM 3316 C CG2 ? THR Bxp 165 ? 25.446 47.756 40.272 0.00 0 392 B
|
||||
ATOM 3420 C CZ2 ? TRP Bxp 178 ? 24.271 45.652 45.407 0.00 0 405 B
|
||||
ATOM 3421 C CZ3 ? TRP Bxp 178 ? 24.294 44.617 43.200 0.00 0 405 B
|
||||
ATOM 3422 C CH2 ? TRP Bxp 178 ? 24.948 45.190 44.295 0.00 0 405 B
|
||||
ATOM 3627 C CD ? GLU Bxp 204 ? 24.079 47.170 48.858 0.00 0 431 B
|
||||
ATOM 3628 O OE1 ? GLU Bxp 204 ? 25.049 47.777 48.346 0.00 0 431 B
|
||||
ATOM 3665 O O ? GLY Bxp 209 ? 30.493 47.107 49.961 -2.14 0 436 B
|
||||
ATOM 3668 C C ? MET Bxp 210 ? 29.396 44.197 49.395 0.00 0 437 B
|
||||
ATOM 3669 O O ? MET Bxp 210 ? 28.182 44.516 49.518 0.00 0 437 B
|
||||
ATOM 3674 N N ? SER Bxp 211 ? 29.944 43.690 48.275 -1.51 0 438 B
|
||||
ATOM 3675 C CA ? SER Bxp 211 ? 29.156 43.225 47.157 0.00 0 438 B
|
||||
ATOM 3678 C CB ? SER Bxp 211 ? 30.018 43.102 45.878 0.00 0 438 B
|
||||
ATOM 3679 O OG ? SER Bxp 211 ? 30.571 44.344 45.570 0.00 0 438 B
|
||||
ATOM 3686 C CD ? PRO Bxp 212 ? 26.363 42.775 46.525 0.00 0 439 B
|
||||
ATOM 5989 C CD ? GLU Cxp 239 ? 33.542 49.209 38.357 0.00 0 466 C
|
||||
ATOM 5990 O OE1 ? GLU Cxp 239 ? 33.030 50.320 38.639 -1.62 0 466 C
|
||||
ATOM 5991 O OE2 ? GLU Cxp 239 ? 33.082 48.141 38.837 -4.43 0 466 C
|
||||
ATOM 2226 C C ? GLN Bxp 25 ? 27.939 59.013 38.921 0.00 0 252 B
|
||||
ATOM 2227 O O ? GLN Bxp 25 ? 27.350 57.919 38.806 -3.21 0 252 B
|
||||
ATOM 2229 C CG ? GLN Bxp 25 ? 29.480 57.926 41.503 0.00 0 252 B
|
||||
ATOM 2230 C CD ? GLN Bxp 25 ? 29.674 58.204 42.986 0.00 0 252 B
|
||||
ATOM 2232 N NE2 ? GLN Bxp 25 ? 29.244 57.286 43.822 -1.93 0 252 B
|
||||
ATOM 2240 C CD2 ? TYR Bxp 26 ? 25.035 59.577 41.953 0.00 0 253 B
|
||||
ATOM 2242 C CE2 ? TYR Bxp 26 ? 25.430 59.279 43.261 0.00 0 253 B
|
||||
ATOM 2243 C CZ ? TYR Bxp 26 ? 26.444 59.997 43.875 0.00 0 253 B
|
||||
ATOM 2763 C CB ? ASN Bxp 95 ? 25.931 57.078 47.584 0.00 0 322 B
|
||||
ATOM 2764 C CG ? ASN Bxp 95 ? 27.203 56.454 47.356 0.00 0 322 B
|
||||
ATOM 2765 O OD1 ? ASN Bxp 95 ? 28.158 57.076 46.868 -2.14 0 322 B
|
||||
ATOM 2766 N ND2 ? ASN Bxp 95 ? 27.312 55.250 47.801 -2.19 0 322 B
|
||||
ATOM 2779 C CB ? LEU Bxp 97 ? 27.381 52.063 48.248 0.00 0 324 B
|
||||
ATOM 2780 C CG ? LEU Bxp 97 ? 28.312 50.918 47.888 0.00 0 324 B
|
||||
ATOM 2781 C CD1 ? LEU Bxp 97 ? 27.928 49.668 48.729 0.00 0 324 B
|
||||
ATOM 2782 C CD2 ? LEU Bxp 97 ? 28.304 50.650 46.399 0.00 0 324 B
|
||||
ATOM 2788 C CG ? ASP Bxp 98 ? 31.168 55.392 47.561 0.00 0 325 B
|
||||
ATOM 2789 O OD1 ? ASP Bxp 98 ? 31.430 54.227 47.147 -5.09 0 325 B
|
||||
ATOM 2790 O OD2 ? ASP Bxp 98 ? 30.977 56.310 46.763 -0.54 0 325 B
|
||||
ATOM 2819 C CZ ? ARG Bxp 101 ? 31.855 48.898 47.794 0.00 0 328 B
|
||||
ATOM 2820 N NH1 ? ARG Bxp 101 ? 32.415 49.637 46.867 0.00 0 328 B
|
||||
ATOM 2821 N NH2 ? ARG Bxp 101 ? 31.115 47.833 47.466 -2.61 0 328 B
|
||||
ATOM 3129 C CA ? ARG Bxp 140 ? 24.210 52.962 45.918 0.00 0 367 B
|
||||
ATOM 3130 C C ? ARG Bxp 140 ? 23.149 54.033 45.618 0.00 0 367 B
|
||||
ATOM 3131 O O ? ARG Bxp 140 ? 23.457 55.144 45.161 -1.07 0 367 B
|
||||
ATOM 3132 C CB ? ARG Bxp 140 ? 24.715 52.271 44.626 0.00 0 367 B
|
||||
ATOM 3133 C CG ? ARG Bxp 140 ? 23.643 51.417 43.981 0.00 0 367 B
|
||||
ATOM 3134 C CD ? ARG Bxp 140 ? 24.061 50.742 42.718 0.00 0 367 B
|
||||
ATOM 3135 N NE ? ARG Bxp 140 ? 22.920 50.005 42.161 0.00 0 367 B
|
||||
ATOM 3136 C CZ ? ARG Bxp 140 ? 22.618 48.746 42.421 0.00 0 367 B
|
||||
ATOM 3137 N NH1 ? ARG Bxp 140 ? 23.339 48.032 43.234 -2.19 0 367 B
|
||||
ATOM 3249 C CD1 ? PHE Bxp 155 ? 22.205 57.740 43.459 0.00 0 382 B
|
||||
ATOM 3263 C CG ? LEU Bxp 157 ? 23.028 54.917 40.029 0.00 0 384 B
|
||||
ATOM 3264 C CD1 ? LEU Bxp 157 ? 23.447 54.265 41.302 0.00 0 384 B
|
||||
ATOM 3265 C CD2 ? LEU Bxp 157 ? 24.047 56.043 39.564 0.00 0 384 B
|
||||
ATOM 3291 C CG ? MET Bxp 161 ? 27.612 51.526 38.485 0.00 0 388 B
|
||||
ATOM 3292 S SD ? MET Bxp 161 ? 26.854 51.297 40.129 0.00 0 388 B
|
||||
ATOM 3293 C CE ? MET Bxp 161 ? 26.781 52.972 40.791 0.00 0 388 B
|
||||
ATOM 3299 O OG1 ? THR Bxp 162 ? 32.015 51.934 37.284 -1.21 0 389 B
|
||||
ATOM 3314 C CB ? THR Bxp 165 ? 26.698 47.367 39.497 0.00 0 392 B
|
||||
ATOM 3315 O OG1 ? THR Bxp 165 ? 27.785 47.295 40.411 -2.69 0 392 B
|
||||
ATOM 3316 C CG2 ? THR Bxp 165 ? 25.446 47.756 40.272 0.00 0 392 B
|
||||
ATOM 3420 C CZ2 ? TRP Bxp 178 ? 24.271 45.652 45.407 0.00 0 405 B
|
||||
ATOM 3421 C CZ3 ? TRP Bxp 178 ? 24.294 44.617 43.200 0.00 0 405 B
|
||||
ATOM 3422 C CH2 ? TRP Bxp 178 ? 24.948 45.190 44.295 0.00 0 405 B
|
||||
ATOM 3627 C CD ? GLU Bxp 204 ? 24.079 47.170 48.858 0.00 0 431 B
|
||||
ATOM 3628 O OE1 ? GLU Bxp 204 ? 25.049 47.777 48.346 0.00 0 431 B
|
||||
ATOM 3665 O O ? GLY Bxp 209 ? 30.493 47.107 49.961 -2.14 0 436 B
|
||||
ATOM 3668 C C ? MET Bxp 210 ? 29.396 44.197 49.395 0.00 0 437 B
|
||||
ATOM 3669 O O ? MET Bxp 210 ? 28.182 44.516 49.518 0.00 0 437 B
|
||||
ATOM 3674 N N ? SER Bxp 211 ? 29.944 43.690 48.275 -1.51 0 438 B
|
||||
ATOM 3675 C CA ? SER Bxp 211 ? 29.156 43.225 47.157 0.00 0 438 B
|
||||
ATOM 3678 C CB ? SER Bxp 211 ? 30.018 43.102 45.878 0.00 0 438 B
|
||||
ATOM 3679 O OG ? SER Bxp 211 ? 30.571 44.344 45.570 0.00 0 438 B
|
||||
ATOM 3686 C CD ? PRO Bxp 212 ? 26.363 42.775 46.525 0.00 0 439 B
|
||||
ATOM 5989 C CD ? GLU Cxp 239 ? 33.542 49.209 38.357 0.00 0 466 C
|
||||
ATOM 5990 O OE1 ? GLU Cxp 239 ? 33.030 50.320 38.639 -1.62 0 466 C
|
||||
ATOM 5991 O OE2 ? GLU Cxp 239 ? 33.082 48.141 38.837 -4.43 0 466 C
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 34:
|
||||
6 - Hydrophobicity Score : 13.1000
|
||||
7 - Polarity Score : 5
|
||||
8 - Amino Acid based volume Score : 3.9000
|
||||
9 - Pocket volume (Monte Carlo) : 290.0388
|
||||
9 - Pocket volume (Monte Carlo) : 275.5196
|
||||
10 -Pocket volume (convex hull) : 24.0313
|
||||
11 - Charge Score : 0
|
||||
12 - Local hydrophobic density Score : 6.0000
|
||||
@@ -39,22 +39,22 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 7493 O OG1 ? THR Dxp 165 ? 46.860 28.337 49.111 -0.95 0 392 D
|
||||
ATOM 7600 C CH2 ? TRP Dxp 178 ? 43.960 26.363 45.206 0.00 0 405 D
|
||||
ATOM 7486 O OD1 ? ASP Dxp 164 ? 44.010 31.506 50.068 0.00 0 391 D
|
||||
ATOM 7857 O OG ? SER Dxp 211 ? 44.316 32.109 43.942 0.00 0 438 D
|
||||
ATOM 7599 C CZ3 ? TRP Dxp 178 ? 43.261 25.813 46.311 0.00 0 405 D
|
||||
ATOM 7584 C CD ? LYS Dxp 177 ? 38.961 28.586 47.012 0.00 0 404 D
|
||||
ATOM 7864 C CD ? PRO Dxp 212 ? 41.974 28.366 43.102 0.00 0 439 D
|
||||
ATOM 7489 C CA ? THR Dxp 165 ? 44.957 27.598 50.554 0.00 0 392 D
|
||||
ATOM 7491 O O ? THR Dxp 165 ? 43.562 25.697 50.933 -2.14 0 392 D
|
||||
ATOM 7856 C CB ? SER Dxp 211 ? 42.985 32.055 43.579 0.00 0 438 D
|
||||
ATOM 7487 O OD2 ? ASP Dxp 164 ? 41.822 31.397 50.162 -3.35 0 391 D
|
||||
ATOM 7586 N NZ ? LYS Dxp 177 ? 37.708 30.930 47.248 -3.70 0 404 D
|
||||
ATOM 7861 O O ? PRO Dxp 212 ? 39.165 30.042 43.911 0.00 0 439 D
|
||||
ATOM 7884 N N ? GLY Dxp 215 ? 36.993 34.967 44.920 -0.42 0 442 D
|
||||
ATOM 7878 C CA ? PRO Dxp 214 ? 38.001 33.741 43.131 0.00 0 441 D
|
||||
ATOM 7891 O O ? ILE Dxp 216 ? 35.795 32.279 48.415 -0.14 0 443 D
|
||||
ATOM 7483 O O ? ASP Dxp 164 ? 42.873 28.619 52.380 0.00 0 391 D
|
||||
ATOM 7911 C CD2 ? LEU Dxp 218 ? 38.302 28.451 50.798 0.00 0 445 D
|
||||
ATOM 7493 O OG1 ? THR Dxp 165 ? 46.860 28.337 49.111 -0.95 0 392 D
|
||||
ATOM 7600 C CH2 ? TRP Dxp 178 ? 43.960 26.363 45.206 0.00 0 405 D
|
||||
ATOM 7486 O OD1 ? ASP Dxp 164 ? 44.010 31.506 50.068 0.00 0 391 D
|
||||
ATOM 7857 O OG ? SER Dxp 211 ? 44.316 32.109 43.942 0.00 0 438 D
|
||||
ATOM 7599 C CZ3 ? TRP Dxp 178 ? 43.261 25.813 46.311 0.00 0 405 D
|
||||
ATOM 7584 C CD ? LYS Dxp 177 ? 38.961 28.586 47.012 0.00 0 404 D
|
||||
ATOM 7864 C CD ? PRO Dxp 212 ? 41.974 28.366 43.102 0.00 0 439 D
|
||||
ATOM 7489 C CA ? THR Dxp 165 ? 44.957 27.598 50.554 0.00 0 392 D
|
||||
ATOM 7491 O O ? THR Dxp 165 ? 43.562 25.697 50.933 -2.14 0 392 D
|
||||
ATOM 7856 C CB ? SER Dxp 211 ? 42.985 32.055 43.579 0.00 0 438 D
|
||||
ATOM 7487 O OD2 ? ASP Dxp 164 ? 41.822 31.397 50.162 -3.35 0 391 D
|
||||
ATOM 7586 N NZ ? LYS Dxp 177 ? 37.708 30.930 47.248 -3.70 0 404 D
|
||||
ATOM 7861 O O ? PRO Dxp 212 ? 39.165 30.042 43.911 0.00 0 439 D
|
||||
ATOM 7884 N N ? GLY Dxp 215 ? 36.993 34.967 44.920 -0.42 0 442 D
|
||||
ATOM 7878 C CA ? PRO Dxp 214 ? 38.001 33.741 43.131 0.00 0 441 D
|
||||
ATOM 7891 O O ? ILE Dxp 216 ? 35.795 32.279 48.415 -0.14 0 443 D
|
||||
ATOM 7483 O O ? ASP Dxp 164 ? 42.873 28.619 52.380 0.00 0 391 D
|
||||
ATOM 7911 C CD2 ? LEU Dxp 218 ? 38.302 28.451 50.798 0.00 0 445 D
|
||||
#
|
||||
|
||||
@@ -17,49 +17,49 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 7482 C C ? ASP Dxp 164 ? 43.926 29.255 52.179 0.00 0 391 D
|
||||
ATOM 7483 O O ? ASP Dxp 164 ? 42.873 28.619 52.380 0.00 0 391 D
|
||||
ATOM 7485 C CG ? ASP Dxp 164 ? 42.941 31.492 50.725 0.00 0 391 D
|
||||
ATOM 7486 O OD1 ? ASP Dxp 164 ? 44.010 31.506 50.068 0.00 0 391 D
|
||||
ATOM 7487 O OD2 ? ASP Dxp 164 ? 41.822 31.397 50.162 -3.35 0 391 D
|
||||
ATOM 7488 N N ? THR Dxp 165 ? 44.935 28.855 51.351 0.00 0 392 D
|
||||
ATOM 7489 C CA ? THR Dxp 165 ? 44.957 27.598 50.554 0.00 0 392 D
|
||||
ATOM 7490 C C ? THR Dxp 165 ? 44.477 26.401 51.365 0.00 0 392 D
|
||||
ATOM 7491 O O ? THR Dxp 165 ? 43.562 25.697 50.933 -2.14 0 392 D
|
||||
ATOM 7492 C CB ? THR Dxp 165 ? 46.378 27.253 49.907 0.00 0 392 D
|
||||
ATOM 7493 O OG1 ? THR Dxp 165 ? 46.860 28.337 49.111 -0.95 0 392 D
|
||||
ATOM 7494 C CG2 ? THR Dxp 165 ? 46.295 26.043 49.013 0.00 0 392 D
|
||||
ATOM 7578 N N ? LYS Dxp 177 ? 39.175 24.398 48.370 0.00 0 404 D
|
||||
ATOM 7582 C CB ? LYS Dxp 177 ? 39.270 26.071 46.571 0.00 0 404 D
|
||||
ATOM 7583 C CG ? LYS Dxp 177 ? 38.533 27.131 47.300 0.00 0 404 D
|
||||
ATOM 7584 C CD ? LYS Dxp 177 ? 38.961 28.586 47.012 0.00 0 404 D
|
||||
ATOM 7585 C CE ? LYS Dxp 177 ? 37.902 29.544 47.784 0.00 0 404 D
|
||||
ATOM 7586 N NZ ? LYS Dxp 177 ? 37.708 30.930 47.248 -3.70 0 404 D
|
||||
ATOM 7597 C CE3 ? TRP Dxp 178 ? 42.764 24.496 46.262 0.00 0 405 D
|
||||
ATOM 7599 C CZ3 ? TRP Dxp 178 ? 43.261 25.813 46.311 0.00 0 405 D
|
||||
ATOM 7600 C CH2 ? TRP Dxp 178 ? 43.960 26.363 45.206 0.00 0 405 D
|
||||
ATOM 7853 C CA ? SER Dxp 211 ? 42.974 31.063 42.423 0.00 0 438 D
|
||||
ATOM 7854 C C ? SER Dxp 211 ? 41.591 30.664 42.075 0.00 0 438 D
|
||||
ATOM 7855 O O ? SER Dxp 211 ? 40.850 31.432 41.483 0.00 0 438 D
|
||||
ATOM 7856 C CB ? SER Dxp 211 ? 42.985 32.055 43.579 0.00 0 438 D
|
||||
ATOM 7857 O OG ? SER Dxp 211 ? 44.316 32.109 43.942 0.00 0 438 D
|
||||
ATOM 7858 N N ? PRO Dxp 212 ? 41.244 29.428 42.388 0.00 0 439 D
|
||||
ATOM 7861 O O ? PRO Dxp 212 ? 39.165 30.042 43.911 0.00 0 439 D
|
||||
ATOM 7863 C CG ? PRO Dxp 212 ? 40.930 27.288 43.240 0.00 0 439 D
|
||||
ATOM 7864 C CD ? PRO Dxp 212 ? 41.974 28.366 43.102 0.00 0 439 D
|
||||
ATOM 7867 C C ? TYR Dxp 213 ? 36.871 31.599 43.624 0.00 0 440 D
|
||||
ATOM 7868 O O ? TYR Dxp 213 ? 36.697 31.912 44.803 0.00 0 440 D
|
||||
ATOM 7877 N N ? PRO Dxp 214 ? 37.486 32.413 42.731 0.00 0 441 D
|
||||
ATOM 7878 C CA ? PRO Dxp 214 ? 38.001 33.741 43.131 0.00 0 441 D
|
||||
ATOM 7879 C C ? PRO Dxp 214 ? 36.893 34.659 43.640 0.00 0 441 D
|
||||
ATOM 7881 C CB ? PRO Dxp 214 ? 38.625 34.304 41.822 0.00 0 441 D
|
||||
ATOM 7884 N N ? GLY Dxp 215 ? 36.993 34.967 44.920 -0.42 0 442 D
|
||||
ATOM 7885 C CA ? GLY Dxp 215 ? 36.189 35.964 45.538 0.00 0 442 D
|
||||
ATOM 7886 C C ? GLY Dxp 215 ? 35.112 35.353 46.336 0.00 0 442 D
|
||||
ATOM 7888 N N ? ILE Dxp 216 ? 35.009 34.038 46.238 0.00 0 443 D
|
||||
ATOM 7890 C C ? ILE Dxp 216 ? 34.678 32.823 48.342 0.00 0 443 D
|
||||
ATOM 7891 O O ? ILE Dxp 216 ? 35.795 32.279 48.415 -0.14 0 443 D
|
||||
ATOM 7909 C CG ? LEU Dxp 218 ? 38.088 29.397 51.945 0.00 0 445 D
|
||||
ATOM 7910 C CD1 ? LEU Dxp 218 ? 39.272 29.343 52.881 0.00 0 445 D
|
||||
ATOM 7911 C CD2 ? LEU Dxp 218 ? 38.302 28.451 50.798 0.00 0 445 D
|
||||
ATOM 7482 C C ? ASP Dxp 164 ? 43.926 29.255 52.179 0.00 0 391 D
|
||||
ATOM 7483 O O ? ASP Dxp 164 ? 42.873 28.619 52.380 0.00 0 391 D
|
||||
ATOM 7485 C CG ? ASP Dxp 164 ? 42.941 31.492 50.725 0.00 0 391 D
|
||||
ATOM 7486 O OD1 ? ASP Dxp 164 ? 44.010 31.506 50.068 0.00 0 391 D
|
||||
ATOM 7487 O OD2 ? ASP Dxp 164 ? 41.822 31.397 50.162 -3.35 0 391 D
|
||||
ATOM 7488 N N ? THR Dxp 165 ? 44.935 28.855 51.351 0.00 0 392 D
|
||||
ATOM 7489 C CA ? THR Dxp 165 ? 44.957 27.598 50.554 0.00 0 392 D
|
||||
ATOM 7490 C C ? THR Dxp 165 ? 44.477 26.401 51.365 0.00 0 392 D
|
||||
ATOM 7491 O O ? THR Dxp 165 ? 43.562 25.697 50.933 -2.14 0 392 D
|
||||
ATOM 7492 C CB ? THR Dxp 165 ? 46.378 27.253 49.907 0.00 0 392 D
|
||||
ATOM 7493 O OG1 ? THR Dxp 165 ? 46.860 28.337 49.111 -0.95 0 392 D
|
||||
ATOM 7494 C CG2 ? THR Dxp 165 ? 46.295 26.043 49.013 0.00 0 392 D
|
||||
ATOM 7578 N N ? LYS Dxp 177 ? 39.175 24.398 48.370 0.00 0 404 D
|
||||
ATOM 7582 C CB ? LYS Dxp 177 ? 39.270 26.071 46.571 0.00 0 404 D
|
||||
ATOM 7583 C CG ? LYS Dxp 177 ? 38.533 27.131 47.300 0.00 0 404 D
|
||||
ATOM 7584 C CD ? LYS Dxp 177 ? 38.961 28.586 47.012 0.00 0 404 D
|
||||
ATOM 7585 C CE ? LYS Dxp 177 ? 37.902 29.544 47.784 0.00 0 404 D
|
||||
ATOM 7586 N NZ ? LYS Dxp 177 ? 37.708 30.930 47.248 -3.70 0 404 D
|
||||
ATOM 7597 C CE3 ? TRP Dxp 178 ? 42.764 24.496 46.262 0.00 0 405 D
|
||||
ATOM 7599 C CZ3 ? TRP Dxp 178 ? 43.261 25.813 46.311 0.00 0 405 D
|
||||
ATOM 7600 C CH2 ? TRP Dxp 178 ? 43.960 26.363 45.206 0.00 0 405 D
|
||||
ATOM 7853 C CA ? SER Dxp 211 ? 42.974 31.063 42.423 0.00 0 438 D
|
||||
ATOM 7854 C C ? SER Dxp 211 ? 41.591 30.664 42.075 0.00 0 438 D
|
||||
ATOM 7855 O O ? SER Dxp 211 ? 40.850 31.432 41.483 0.00 0 438 D
|
||||
ATOM 7856 C CB ? SER Dxp 211 ? 42.985 32.055 43.579 0.00 0 438 D
|
||||
ATOM 7857 O OG ? SER Dxp 211 ? 44.316 32.109 43.942 0.00 0 438 D
|
||||
ATOM 7858 N N ? PRO Dxp 212 ? 41.244 29.428 42.388 0.00 0 439 D
|
||||
ATOM 7861 O O ? PRO Dxp 212 ? 39.165 30.042 43.911 0.00 0 439 D
|
||||
ATOM 7863 C CG ? PRO Dxp 212 ? 40.930 27.288 43.240 0.00 0 439 D
|
||||
ATOM 7864 C CD ? PRO Dxp 212 ? 41.974 28.366 43.102 0.00 0 439 D
|
||||
ATOM 7867 C C ? TYR Dxp 213 ? 36.871 31.599 43.624 0.00 0 440 D
|
||||
ATOM 7868 O O ? TYR Dxp 213 ? 36.697 31.912 44.803 0.00 0 440 D
|
||||
ATOM 7877 N N ? PRO Dxp 214 ? 37.486 32.413 42.731 0.00 0 441 D
|
||||
ATOM 7878 C CA ? PRO Dxp 214 ? 38.001 33.741 43.131 0.00 0 441 D
|
||||
ATOM 7879 C C ? PRO Dxp 214 ? 36.893 34.659 43.640 0.00 0 441 D
|
||||
ATOM 7881 C CB ? PRO Dxp 214 ? 38.625 34.304 41.822 0.00 0 441 D
|
||||
ATOM 7884 N N ? GLY Dxp 215 ? 36.993 34.967 44.920 -0.42 0 442 D
|
||||
ATOM 7885 C CA ? GLY Dxp 215 ? 36.189 35.964 45.538 0.00 0 442 D
|
||||
ATOM 7886 C C ? GLY Dxp 215 ? 35.112 35.353 46.336 0.00 0 442 D
|
||||
ATOM 7888 N N ? ILE Dxp 216 ? 35.009 34.038 46.238 0.00 0 443 D
|
||||
ATOM 7890 C C ? ILE Dxp 216 ? 34.678 32.823 48.342 0.00 0 443 D
|
||||
ATOM 7891 O O ? ILE Dxp 216 ? 35.795 32.279 48.415 -0.14 0 443 D
|
||||
ATOM 7909 C CG ? LEU Dxp 218 ? 38.088 29.397 51.945 0.00 0 445 D
|
||||
ATOM 7910 C CD1 ? LEU Dxp 218 ? 39.272 29.343 52.881 0.00 0 445 D
|
||||
ATOM 7911 C CD2 ? LEU Dxp 218 ? 38.302 28.451 50.798 0.00 0 445 D
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 35:
|
||||
6 - Hydrophobicity Score : 10.2857
|
||||
7 - Polarity Score : 5
|
||||
8 - Amino Acid based volume Score : 5.0000
|
||||
9 - Pocket volume (Monte Carlo) : 225.7189
|
||||
9 - Pocket volume (Monte Carlo) : 232.6036
|
||||
10 -Pocket volume (convex hull) : 5.6641
|
||||
11 - Charge Score : -1
|
||||
12 - Local hydrophobic density Score : 6.0000
|
||||
@@ -39,21 +39,21 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 4030 C CD ? PRO Bxp 253 ? 6.571 36.180 44.310 0.00 0 480 B
|
||||
ATOM 4010 N NE1 ? TRP Bxp 251 ? 10.012 30.289 42.614 -1.01 0 478 B
|
||||
ATOM 3446 C CB ? GLU Bxp 182 ? 8.807 36.987 40.044 0.00 0 409 B
|
||||
ATOM 4005 O O ? TRP Bxp 251 ? 9.682 34.179 44.795 -2.14 0 478 B
|
||||
ATOM 3478 C CE1 ? TYR Bxp 186 ? 7.837 33.678 37.047 0.00 0 413 B
|
||||
ATOM 4023 N ND2 ? ASN Bxp 252 ? 4.327 34.310 45.144 0.00 0 479 B
|
||||
ATOM 3767 O OH ? TYR Bxp 222 ? 12.714 31.484 37.996 -5.36 0 449 B
|
||||
ATOM 3481 O OH ? TYR Bxp 186 ? 8.084 31.363 36.537 -4.02 0 413 B
|
||||
ATOM 4013 C CZ2 ? TRP Bxp 251 ? 12.126 30.591 41.345 0.00 0 478 B
|
||||
ATOM 3443 C CA ? GLU Bxp 182 ? 10.126 36.812 39.286 0.00 0 409 B
|
||||
ATOM 4021 C CG ? ASN Bxp 252 ? 4.432 33.363 46.097 0.00 0 479 B
|
||||
ATOM 4020 C CB ? ASN Bxp 252 ? 5.889 32.875 46.532 0.00 0 479 B
|
||||
ATOM 4008 C CD1 ? TRP Bxp 251 ? 9.656 30.474 43.951 0.00 0 478 B
|
||||
ATOM 3442 N N ? GLU Bxp 182 ? 11.300 36.635 40.202 -1.09 0 409 B
|
||||
ATOM 4011 C CE2 ? TRP Bxp 251 ? 11.341 30.607 42.467 0.00 0 478 B
|
||||
ATOM 3439 C CB ? PRO Bxp 181 ? 13.281 34.691 41.563 0.00 0 408 B
|
||||
ATOM 4017 C CA ? ASN Bxp 252 ? 7.041 33.777 46.037 0.00 0 479 B
|
||||
ATOM 4030 C CD ? PRO Bxp 253 ? 6.571 36.180 44.310 0.00 0 480 B
|
||||
ATOM 4010 N NE1 ? TRP Bxp 251 ? 10.012 30.289 42.614 -1.01 0 478 B
|
||||
ATOM 3446 C CB ? GLU Bxp 182 ? 8.807 36.987 40.044 0.00 0 409 B
|
||||
ATOM 4005 O O ? TRP Bxp 251 ? 9.682 34.179 44.795 -2.14 0 478 B
|
||||
ATOM 3478 C CE1 ? TYR Bxp 186 ? 7.837 33.678 37.047 0.00 0 413 B
|
||||
ATOM 4023 N ND2 ? ASN Bxp 252 ? 4.327 34.310 45.144 0.00 0 479 B
|
||||
ATOM 3767 O OH ? TYR Bxp 222 ? 12.714 31.484 37.996 -5.36 0 449 B
|
||||
ATOM 3481 O OH ? TYR Bxp 186 ? 8.084 31.363 36.537 -4.02 0 413 B
|
||||
ATOM 4013 C CZ2 ? TRP Bxp 251 ? 12.126 30.591 41.345 0.00 0 478 B
|
||||
ATOM 3443 C CA ? GLU Bxp 182 ? 10.126 36.812 39.286 0.00 0 409 B
|
||||
ATOM 4021 C CG ? ASN Bxp 252 ? 4.432 33.363 46.097 0.00 0 479 B
|
||||
ATOM 4020 C CB ? ASN Bxp 252 ? 5.889 32.875 46.532 0.00 0 479 B
|
||||
ATOM 4008 C CD1 ? TRP Bxp 251 ? 9.656 30.474 43.951 0.00 0 478 B
|
||||
ATOM 3442 N N ? GLU Bxp 182 ? 11.300 36.635 40.202 -1.09 0 409 B
|
||||
ATOM 4011 C CE2 ? TRP Bxp 251 ? 11.341 30.607 42.467 0.00 0 478 B
|
||||
ATOM 3439 C CB ? PRO Bxp 181 ? 13.281 34.691 41.563 0.00 0 408 B
|
||||
ATOM 4017 C CA ? ASN Bxp 252 ? 7.041 33.777 46.037 0.00 0 479 B
|
||||
#
|
||||
|
||||
@@ -17,39 +17,39 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 3436 C CA ? PRO Bxp 181 ? 13.578 35.956 40.806 0.00 0 408 B
|
||||
ATOM 3437 C C ? PRO Bxp 181 ? 12.501 36.193 39.765 0.00 0 408 B
|
||||
ATOM 3438 O O ? PRO Bxp 181 ? 12.790 36.017 38.545 0.00 0 408 B
|
||||
ATOM 3439 C CB ? PRO Bxp 181 ? 13.281 34.691 41.563 0.00 0 408 B
|
||||
ATOM 3440 C CG ? PRO Bxp 181 ? 13.625 34.985 43.013 0.00 0 408 B
|
||||
ATOM 3442 N N ? GLU Bxp 182 ? 11.300 36.635 40.202 -1.09 0 409 B
|
||||
ATOM 3443 C CA ? GLU Bxp 182 ? 10.126 36.812 39.286 0.00 0 409 B
|
||||
ATOM 3446 C CB ? GLU Bxp 182 ? 8.807 36.987 40.044 0.00 0 409 B
|
||||
ATOM 3449 O OE1 ? GLU Bxp 182 ? 9.973 37.416 42.589 0.00 0 409 B
|
||||
ATOM 3469 C CB ? ALA Bxp 185 ? 11.719 34.122 35.988 0.00 0 412 B
|
||||
ATOM 3476 C CD1 ? TYR Bxp 186 ? 7.747 35.021 36.620 0.00 0 413 B
|
||||
ATOM 3478 C CE1 ? TYR Bxp 186 ? 7.837 33.678 37.047 0.00 0 413 B
|
||||
ATOM 3480 C CZ ? TYR Bxp 186 ? 7.994 32.670 36.110 0.00 0 413 B
|
||||
ATOM 3481 O OH ? TYR Bxp 186 ? 8.084 31.363 36.537 -4.02 0 413 B
|
||||
ATOM 3764 C CE1 ? TYR Bxp 222 ? 14.445 33.089 38.315 0.00 0 449 B
|
||||
ATOM 3766 C CZ ? TYR Bxp 222 ? 14.071 31.761 38.009 0.00 0 449 B
|
||||
ATOM 3767 O OH ? TYR Bxp 222 ? 12.714 31.484 37.996 -5.36 0 449 B
|
||||
ATOM 4004 C C ? TRP Bxp 251 ? 9.554 33.477 45.821 0.00 0 478 B
|
||||
ATOM 4005 O O ? TRP Bxp 251 ? 9.682 34.179 44.795 -2.14 0 478 B
|
||||
ATOM 4007 C CG ? TRP Bxp 251 ? 10.755 30.957 44.681 0.00 0 478 B
|
||||
ATOM 4008 C CD1 ? TRP Bxp 251 ? 9.656 30.474 43.951 0.00 0 478 B
|
||||
ATOM 4009 C CD2 ? TRP Bxp 251 ? 11.837 31.050 43.740 0.00 0 478 B
|
||||
ATOM 4010 N NE1 ? TRP Bxp 251 ? 10.012 30.289 42.614 -1.01 0 478 B
|
||||
ATOM 4011 C CE2 ? TRP Bxp 251 ? 11.341 30.607 42.467 0.00 0 478 B
|
||||
ATOM 4013 C CZ2 ? TRP Bxp 251 ? 12.126 30.591 41.345 0.00 0 478 B
|
||||
ATOM 4015 C CH2 ? TRP Bxp 251 ? 13.438 30.984 41.474 0.00 0 478 B
|
||||
ATOM 4016 N N ? ASN Bxp 252 ? 8.375 33.218 46.436 -3.28 0 479 B
|
||||
ATOM 4017 C CA ? ASN Bxp 252 ? 7.041 33.777 46.037 0.00 0 479 B
|
||||
ATOM 4020 C CB ? ASN Bxp 252 ? 5.889 32.875 46.532 0.00 0 479 B
|
||||
ATOM 4021 C CG ? ASN Bxp 252 ? 4.432 33.363 46.097 0.00 0 479 B
|
||||
ATOM 4022 O OD1 ? ASN Bxp 252 ? 3.413 32.832 46.627 0.00 0 479 B
|
||||
ATOM 4023 N ND2 ? ASN Bxp 252 ? 4.327 34.310 45.144 0.00 0 479 B
|
||||
ATOM 4024 N N ? PRO Bxp 253 ? 6.663 36.170 45.795 0.00 0 480 B
|
||||
ATOM 4029 C CG ? PRO Bxp 253 ? 6.022 37.522 43.988 0.00 0 480 B
|
||||
ATOM 4030 C CD ? PRO Bxp 253 ? 6.571 36.180 44.310 0.00 0 480 B
|
||||
ATOM 3436 C CA ? PRO Bxp 181 ? 13.578 35.956 40.806 0.00 0 408 B
|
||||
ATOM 3437 C C ? PRO Bxp 181 ? 12.501 36.193 39.765 0.00 0 408 B
|
||||
ATOM 3438 O O ? PRO Bxp 181 ? 12.790 36.017 38.545 0.00 0 408 B
|
||||
ATOM 3439 C CB ? PRO Bxp 181 ? 13.281 34.691 41.563 0.00 0 408 B
|
||||
ATOM 3440 C CG ? PRO Bxp 181 ? 13.625 34.985 43.013 0.00 0 408 B
|
||||
ATOM 3442 N N ? GLU Bxp 182 ? 11.300 36.635 40.202 -1.09 0 409 B
|
||||
ATOM 3443 C CA ? GLU Bxp 182 ? 10.126 36.812 39.286 0.00 0 409 B
|
||||
ATOM 3446 C CB ? GLU Bxp 182 ? 8.807 36.987 40.044 0.00 0 409 B
|
||||
ATOM 3449 O OE1 ? GLU Bxp 182 ? 9.973 37.416 42.589 0.00 0 409 B
|
||||
ATOM 3469 C CB ? ALA Bxp 185 ? 11.719 34.122 35.988 0.00 0 412 B
|
||||
ATOM 3476 C CD1 ? TYR Bxp 186 ? 7.747 35.021 36.620 0.00 0 413 B
|
||||
ATOM 3478 C CE1 ? TYR Bxp 186 ? 7.837 33.678 37.047 0.00 0 413 B
|
||||
ATOM 3480 C CZ ? TYR Bxp 186 ? 7.994 32.670 36.110 0.00 0 413 B
|
||||
ATOM 3481 O OH ? TYR Bxp 186 ? 8.084 31.363 36.537 -4.02 0 413 B
|
||||
ATOM 3764 C CE1 ? TYR Bxp 222 ? 14.445 33.089 38.315 0.00 0 449 B
|
||||
ATOM 3766 C CZ ? TYR Bxp 222 ? 14.071 31.761 38.009 0.00 0 449 B
|
||||
ATOM 3767 O OH ? TYR Bxp 222 ? 12.714 31.484 37.996 -5.36 0 449 B
|
||||
ATOM 4004 C C ? TRP Bxp 251 ? 9.554 33.477 45.821 0.00 0 478 B
|
||||
ATOM 4005 O O ? TRP Bxp 251 ? 9.682 34.179 44.795 -2.14 0 478 B
|
||||
ATOM 4007 C CG ? TRP Bxp 251 ? 10.755 30.957 44.681 0.00 0 478 B
|
||||
ATOM 4008 C CD1 ? TRP Bxp 251 ? 9.656 30.474 43.951 0.00 0 478 B
|
||||
ATOM 4009 C CD2 ? TRP Bxp 251 ? 11.837 31.050 43.740 0.00 0 478 B
|
||||
ATOM 4010 N NE1 ? TRP Bxp 251 ? 10.012 30.289 42.614 -1.01 0 478 B
|
||||
ATOM 4011 C CE2 ? TRP Bxp 251 ? 11.341 30.607 42.467 0.00 0 478 B
|
||||
ATOM 4013 C CZ2 ? TRP Bxp 251 ? 12.126 30.591 41.345 0.00 0 478 B
|
||||
ATOM 4015 C CH2 ? TRP Bxp 251 ? 13.438 30.984 41.474 0.00 0 478 B
|
||||
ATOM 4016 N N ? ASN Bxp 252 ? 8.375 33.218 46.436 -3.28 0 479 B
|
||||
ATOM 4017 C CA ? ASN Bxp 252 ? 7.041 33.777 46.037 0.00 0 479 B
|
||||
ATOM 4020 C CB ? ASN Bxp 252 ? 5.889 32.875 46.532 0.00 0 479 B
|
||||
ATOM 4021 C CG ? ASN Bxp 252 ? 4.432 33.363 46.097 0.00 0 479 B
|
||||
ATOM 4022 O OD1 ? ASN Bxp 252 ? 3.413 32.832 46.627 0.00 0 479 B
|
||||
ATOM 4023 N ND2 ? ASN Bxp 252 ? 4.327 34.310 45.144 0.00 0 479 B
|
||||
ATOM 4024 N N ? PRO Bxp 253 ? 6.663 36.170 45.795 0.00 0 480 B
|
||||
ATOM 4029 C CG ? PRO Bxp 253 ? 6.022 37.522 43.988 0.00 0 480 B
|
||||
ATOM 4030 C CD ? PRO Bxp 253 ? 6.571 36.180 44.310 0.00 0 480 B
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 36:
|
||||
6 - Hydrophobicity Score : 0.2857
|
||||
7 - Polarity Score : 5
|
||||
8 - Amino Acid based volume Score : 4.8571
|
||||
9 - Pocket volume (Monte Carlo) : 278.9046
|
||||
9 - Pocket volume (Monte Carlo) : 279.0368
|
||||
10 -Pocket volume (convex hull) : 20.3645
|
||||
11 - Charge Score : -1
|
||||
12 - Local hydrophobic density Score : 0.0000
|
||||
@@ -39,24 +39,24 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 2104 O O ? GLU Bxp 9 ? 9.610 78.022 40.425 -5.09 0 236 B
|
||||
ATOM 2103 C C ? GLU Bxp 9 ? 10.169 77.277 39.615 0.00 0 236 B
|
||||
ATOM 2105 C CB ? GLU Bxp 9 ? 8.575 76.788 37.798 0.00 0 236 B
|
||||
ATOM 2126 O OE2 ? GLU Bxp 11 ? 11.678 82.829 36.841 -6.83 0 238 B
|
||||
ATOM 2108 O OE1 ? GLU Bxp 9 ? 10.187 75.873 35.706 -0.40 0 236 B
|
||||
ATOM 2642 C CB ? ARG Bxp 80 ? 9.657 77.081 31.688 0.00 0 307 B
|
||||
ATOM 2106 C CG ? GLU Bxp 9 ? 8.042 75.835 36.750 0.00 0 236 B
|
||||
ATOM 2127 N N ? ARG Bxp 12 ? 16.579 79.717 37.090 -4.37 0 239 B
|
||||
ATOM 2113 O O ? MET Bxp 10 ? 13.308 78.467 37.621 -5.76 0 237 B
|
||||
ATOM 2119 C CA ? GLU Bxp 11 ? 14.780 80.814 38.287 0.00 0 238 B
|
||||
ATOM 2125 O OE1 ? GLU Bxp 11 ? 13.662 83.727 36.354 0.00 0 238 B
|
||||
ATOM 2134 N NE ? ARG Bxp 12 ? 17.166 78.180 32.616 -3.70 0 239 B
|
||||
ATOM 2110 N N ? MET Bxp 10 ? 11.446 77.350 39.286 0.00 0 237 B
|
||||
ATOM 2137 N NH2 ? ARG Bxp 12 ? 16.002 76.207 32.344 -1.09 0 239 B
|
||||
ATOM 2638 N N ? ARG Bxp 80 ? 10.760 74.847 31.982 -1.09 0 307 B
|
||||
ATOM 2132 C CG ? ARG Bxp 12 ? 18.304 79.619 34.354 0.00 0 239 B
|
||||
ATOM 2647 C CB ? GLU Bxp 81 ? 13.559 77.774 28.759 0.00 0 308 B
|
||||
ATOM 2643 N N ? GLU Bxp 81 ? 12.076 76.211 29.899 -1.09 0 308 B
|
||||
ATOM 2626 C CA ? CYS Bxp 78 ? 13.442 74.443 35.850 0.00 0 305 B
|
||||
ATOM 2629 C CB ? CYS Bxp 78 ? 14.835 75.041 35.726 0.00 0 305 B
|
||||
ATOM 2104 O O ? GLU Bxp 9 ? 9.610 78.022 40.425 -5.09 0 236 B
|
||||
ATOM 2103 C C ? GLU Bxp 9 ? 10.169 77.277 39.615 0.00 0 236 B
|
||||
ATOM 2105 C CB ? GLU Bxp 9 ? 8.575 76.788 37.798 0.00 0 236 B
|
||||
ATOM 2126 O OE2 ? GLU Bxp 11 ? 11.678 82.829 36.841 -6.83 0 238 B
|
||||
ATOM 2108 O OE1 ? GLU Bxp 9 ? 10.187 75.873 35.706 -0.40 0 236 B
|
||||
ATOM 2642 C CB ? ARG Bxp 80 ? 9.657 77.081 31.688 0.00 0 307 B
|
||||
ATOM 2106 C CG ? GLU Bxp 9 ? 8.042 75.835 36.750 0.00 0 236 B
|
||||
ATOM 2127 N N ? ARG Bxp 12 ? 16.579 79.717 37.090 -4.37 0 239 B
|
||||
ATOM 2113 O O ? MET Bxp 10 ? 13.308 78.467 37.621 -5.76 0 237 B
|
||||
ATOM 2119 C CA ? GLU Bxp 11 ? 14.780 80.814 38.287 0.00 0 238 B
|
||||
ATOM 2125 O OE1 ? GLU Bxp 11 ? 13.662 83.727 36.354 0.00 0 238 B
|
||||
ATOM 2134 N NE ? ARG Bxp 12 ? 17.166 78.180 32.616 -3.70 0 239 B
|
||||
ATOM 2110 N N ? MET Bxp 10 ? 11.446 77.350 39.286 0.00 0 237 B
|
||||
ATOM 2137 N NH2 ? ARG Bxp 12 ? 16.002 76.207 32.344 -1.09 0 239 B
|
||||
ATOM 2638 N N ? ARG Bxp 80 ? 10.760 74.847 31.982 -1.09 0 307 B
|
||||
ATOM 2132 C CG ? ARG Bxp 12 ? 18.304 79.619 34.354 0.00 0 239 B
|
||||
ATOM 2647 C CB ? GLU Bxp 81 ? 13.559 77.774 28.759 0.00 0 308 B
|
||||
ATOM 2643 N N ? GLU Bxp 81 ? 12.076 76.211 29.899 -1.09 0 308 B
|
||||
ATOM 2626 C CA ? CYS Bxp 78 ? 13.442 74.443 35.850 0.00 0 305 B
|
||||
ATOM 2629 C CB ? CYS Bxp 78 ? 14.835 75.041 35.726 0.00 0 305 B
|
||||
#
|
||||
|
||||
@@ -17,45 +17,45 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 2102 C CA ? GLU Bxp 9 ? 9.410 76.169 38.922 0.00 0 236 B
|
||||
ATOM 2103 C C ? GLU Bxp 9 ? 10.169 77.277 39.615 0.00 0 236 B
|
||||
ATOM 2104 O O ? GLU Bxp 9 ? 9.610 78.022 40.425 -5.09 0 236 B
|
||||
ATOM 2105 C CB ? GLU Bxp 9 ? 8.575 76.788 37.798 0.00 0 236 B
|
||||
ATOM 2106 C CG ? GLU Bxp 9 ? 8.042 75.835 36.750 0.00 0 236 B
|
||||
ATOM 2107 C CD ? GLU Bxp 9 ? 9.094 75.275 35.829 0.00 0 236 B
|
||||
ATOM 2108 O OE1 ? GLU Bxp 9 ? 10.187 75.873 35.706 -0.40 0 236 B
|
||||
ATOM 2110 N N ? MET Bxp 10 ? 11.446 77.350 39.286 0.00 0 237 B
|
||||
ATOM 2111 C CA ? MET Bxp 10 ? 12.343 78.345 39.836 0.00 0 237 B
|
||||
ATOM 2112 C C ? MET Bxp 10 ? 13.264 78.944 38.775 0.00 0 237 B
|
||||
ATOM 2113 O O ? MET Bxp 10 ? 13.308 78.467 37.621 -5.76 0 237 B
|
||||
ATOM 2118 N N ? GLU Bxp 11 ? 13.978 79.990 39.193 -1.09 0 238 B
|
||||
ATOM 2119 C CA ? GLU Bxp 11 ? 14.780 80.814 38.287 0.00 0 238 B
|
||||
ATOM 2120 C C ? GLU Bxp 11 ? 16.226 80.336 38.217 0.00 0 238 B
|
||||
ATOM 2122 C CB ? GLU Bxp 11 ? 14.713 82.300 38.688 0.00 0 238 B
|
||||
ATOM 2123 C CG ? GLU Bxp 11 ? 13.316 82.906 38.596 0.00 0 238 B
|
||||
ATOM 2124 C CD ? GLU Bxp 11 ? 12.852 83.173 37.157 0.00 0 238 B
|
||||
ATOM 2125 O OE1 ? GLU Bxp 11 ? 13.662 83.727 36.354 0.00 0 238 B
|
||||
ATOM 2126 O OE2 ? GLU Bxp 11 ? 11.678 82.829 36.841 -6.83 0 238 B
|
||||
ATOM 2127 N N ? ARG Bxp 12 ? 16.579 79.717 37.090 -4.37 0 239 B
|
||||
ATOM 2128 C CA ? ARG Bxp 12 ? 17.889 79.081 36.907 0.00 0 239 B
|
||||
ATOM 2131 C CB ? ARG Bxp 12 ? 18.096 78.557 35.468 0.00 0 239 B
|
||||
ATOM 2132 C CG ? ARG Bxp 12 ? 18.304 79.619 34.354 0.00 0 239 B
|
||||
ATOM 2133 C CD ? ARG Bxp 12 ? 18.359 78.988 32.929 0.00 0 239 B
|
||||
ATOM 2134 N NE ? ARG Bxp 12 ? 17.166 78.180 32.616 -3.70 0 239 B
|
||||
ATOM 2135 C CZ ? ARG Bxp 12 ? 17.128 76.852 32.649 0.00 0 239 B
|
||||
ATOM 2137 N NH2 ? ARG Bxp 12 ? 16.002 76.207 32.344 -1.09 0 239 B
|
||||
ATOM 2626 C CA ? CYS Bxp 78 ? 13.442 74.443 35.850 0.00 0 305 B
|
||||
ATOM 2627 C C ? CYS Bxp 78 ? 13.116 73.625 34.592 0.00 0 305 B
|
||||
ATOM 2628 O O ? CYS Bxp 78 ? 13.971 73.010 33.988 0.00 0 305 B
|
||||
ATOM 2629 C CB ? CYS Bxp 78 ? 14.835 75.041 35.726 0.00 0 305 B
|
||||
ATOM 2630 S SG ? CYS Bxp 78 ? 15.441 76.049 37.136 0.00 0 305 B
|
||||
ATOM 2631 N N ? THR Bxp 79 ? 11.855 73.570 34.220 0.00 0 306 B
|
||||
ATOM 2638 N N ? ARG Bxp 80 ? 10.760 74.847 31.982 -1.09 0 307 B
|
||||
ATOM 2639 C CA ? ARG Bxp 80 ? 10.010 75.716 31.050 0.00 0 307 B
|
||||
ATOM 2640 C C ? ARG Bxp 80 ? 10.794 75.893 29.745 0.00 0 307 B
|
||||
ATOM 2642 C CB ? ARG Bxp 80 ? 9.657 77.081 31.688 0.00 0 307 B
|
||||
ATOM 2643 N N ? GLU Bxp 81 ? 12.076 76.211 29.899 -1.09 0 308 B
|
||||
ATOM 2644 C CA ? GLU Bxp 81 ? 13.060 76.319 28.806 0.00 0 308 B
|
||||
ATOM 2646 O O ? GLU Bxp 81 ? 14.500 74.995 30.236 0.00 0 308 B
|
||||
ATOM 2647 C CB ? GLU Bxp 81 ? 13.559 77.774 28.759 0.00 0 308 B
|
||||
ATOM 2102 C CA ? GLU Bxp 9 ? 9.410 76.169 38.922 0.00 0 236 B
|
||||
ATOM 2103 C C ? GLU Bxp 9 ? 10.169 77.277 39.615 0.00 0 236 B
|
||||
ATOM 2104 O O ? GLU Bxp 9 ? 9.610 78.022 40.425 -5.09 0 236 B
|
||||
ATOM 2105 C CB ? GLU Bxp 9 ? 8.575 76.788 37.798 0.00 0 236 B
|
||||
ATOM 2106 C CG ? GLU Bxp 9 ? 8.042 75.835 36.750 0.00 0 236 B
|
||||
ATOM 2107 C CD ? GLU Bxp 9 ? 9.094 75.275 35.829 0.00 0 236 B
|
||||
ATOM 2108 O OE1 ? GLU Bxp 9 ? 10.187 75.873 35.706 -0.40 0 236 B
|
||||
ATOM 2110 N N ? MET Bxp 10 ? 11.446 77.350 39.286 0.00 0 237 B
|
||||
ATOM 2111 C CA ? MET Bxp 10 ? 12.343 78.345 39.836 0.00 0 237 B
|
||||
ATOM 2112 C C ? MET Bxp 10 ? 13.264 78.944 38.775 0.00 0 237 B
|
||||
ATOM 2113 O O ? MET Bxp 10 ? 13.308 78.467 37.621 -5.76 0 237 B
|
||||
ATOM 2118 N N ? GLU Bxp 11 ? 13.978 79.990 39.193 -1.09 0 238 B
|
||||
ATOM 2119 C CA ? GLU Bxp 11 ? 14.780 80.814 38.287 0.00 0 238 B
|
||||
ATOM 2120 C C ? GLU Bxp 11 ? 16.226 80.336 38.217 0.00 0 238 B
|
||||
ATOM 2122 C CB ? GLU Bxp 11 ? 14.713 82.300 38.688 0.00 0 238 B
|
||||
ATOM 2123 C CG ? GLU Bxp 11 ? 13.316 82.906 38.596 0.00 0 238 B
|
||||
ATOM 2124 C CD ? GLU Bxp 11 ? 12.852 83.173 37.157 0.00 0 238 B
|
||||
ATOM 2125 O OE1 ? GLU Bxp 11 ? 13.662 83.727 36.354 0.00 0 238 B
|
||||
ATOM 2126 O OE2 ? GLU Bxp 11 ? 11.678 82.829 36.841 -6.83 0 238 B
|
||||
ATOM 2127 N N ? ARG Bxp 12 ? 16.579 79.717 37.090 -4.37 0 239 B
|
||||
ATOM 2128 C CA ? ARG Bxp 12 ? 17.889 79.081 36.907 0.00 0 239 B
|
||||
ATOM 2131 C CB ? ARG Bxp 12 ? 18.096 78.557 35.468 0.00 0 239 B
|
||||
ATOM 2132 C CG ? ARG Bxp 12 ? 18.304 79.619 34.354 0.00 0 239 B
|
||||
ATOM 2133 C CD ? ARG Bxp 12 ? 18.359 78.988 32.929 0.00 0 239 B
|
||||
ATOM 2134 N NE ? ARG Bxp 12 ? 17.166 78.180 32.616 -3.70 0 239 B
|
||||
ATOM 2135 C CZ ? ARG Bxp 12 ? 17.128 76.852 32.649 0.00 0 239 B
|
||||
ATOM 2137 N NH2 ? ARG Bxp 12 ? 16.002 76.207 32.344 -1.09 0 239 B
|
||||
ATOM 2626 C CA ? CYS Bxp 78 ? 13.442 74.443 35.850 0.00 0 305 B
|
||||
ATOM 2627 C C ? CYS Bxp 78 ? 13.116 73.625 34.592 0.00 0 305 B
|
||||
ATOM 2628 O O ? CYS Bxp 78 ? 13.971 73.010 33.988 0.00 0 305 B
|
||||
ATOM 2629 C CB ? CYS Bxp 78 ? 14.835 75.041 35.726 0.00 0 305 B
|
||||
ATOM 2630 S SG ? CYS Bxp 78 ? 15.441 76.049 37.136 0.00 0 305 B
|
||||
ATOM 2631 N N ? THR Bxp 79 ? 11.855 73.570 34.220 0.00 0 306 B
|
||||
ATOM 2638 N N ? ARG Bxp 80 ? 10.760 74.847 31.982 -1.09 0 307 B
|
||||
ATOM 2639 C CA ? ARG Bxp 80 ? 10.010 75.716 31.050 0.00 0 307 B
|
||||
ATOM 2640 C C ? ARG Bxp 80 ? 10.794 75.893 29.745 0.00 0 307 B
|
||||
ATOM 2642 C CB ? ARG Bxp 80 ? 9.657 77.081 31.688 0.00 0 307 B
|
||||
ATOM 2643 N N ? GLU Bxp 81 ? 12.076 76.211 29.899 -1.09 0 308 B
|
||||
ATOM 2644 C CA ? GLU Bxp 81 ? 13.060 76.319 28.806 0.00 0 308 B
|
||||
ATOM 2646 O O ? GLU Bxp 81 ? 14.500 74.995 30.236 0.00 0 308 B
|
||||
ATOM 2647 C CB ? GLU Bxp 81 ? 13.559 77.774 28.759 0.00 0 308 B
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 37:
|
||||
6 - Hydrophobicity Score : 5.1250
|
||||
7 - Polarity Score : 6
|
||||
8 - Amino Acid based volume Score : 4.8750
|
||||
9 - Pocket volume (Monte Carlo) : 240.2758
|
||||
9 - Pocket volume (Monte Carlo) : 239.4655
|
||||
10 -Pocket volume (convex hull) : 11.9595
|
||||
11 - Charge Score : -2
|
||||
12 - Local hydrophobic density Score : 12.0000
|
||||
@@ -39,22 +39,22 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 1380 O OH ? TYR Axp 186 ? 9.044 45.902 24.895 0.00 0 413 A
|
||||
ATOM 1912 C CZ2 ? TRP Axp 251 ? 12.981 45.897 19.507 0.00 0 478 A
|
||||
ATOM 1670 O OH ? TYR Axp 222 ? 13.311 44.900 22.966 -3.21 0 449 A
|
||||
ATOM 1377 C CE1 ? TYR Axp 186 ? 8.719 43.625 24.184 0.00 0 413 A
|
||||
ATOM 1916 C CA ? ASN Axp 252 ? 7.616 43.585 14.588 0.00 0 479 A
|
||||
ATOM 1907 C CD1 ? TRP Axp 251 ? 10.581 46.580 16.890 0.00 0 478 A
|
||||
ATOM 1919 C CB ? ASN Axp 252 ? 6.603 44.693 14.189 0.00 0 479 A
|
||||
ATOM 1922 N ND2 ? ASN Axp 252 ? 4.934 43.645 15.753 0.00 0 479 A
|
||||
ATOM 1929 C CD ? PRO Axp 253 ? 6.822 41.521 16.535 0.00 0 480 A
|
||||
ATOM 1904 O O ? TRP Axp 251 ? 10.010 42.943 15.867 -2.14 0 478 A
|
||||
ATOM 1920 C CG ? ASN Axp 252 ? 5.132 44.445 14.708 0.00 0 479 A
|
||||
ATOM 1342 C CA ? GLU Axp 182 ? 10.202 40.012 21.581 0.00 0 409 A
|
||||
ATOM 1341 N N ? GLU Axp 182 ? 11.384 40.036 20.693 0.00 0 409 A
|
||||
ATOM 1910 C CE2 ? TRP Axp 251 ? 12.201 46.076 18.371 0.00 0 478 A
|
||||
ATOM 1345 C CB ? GLU Axp 182 ? 8.847 40.008 20.806 0.00 0 409 A
|
||||
ATOM 1909 N NE1 ? TRP Axp 251 ? 10.978 46.673 18.232 0.00 0 478 A
|
||||
ATOM 1338 C CB ? PRO Axp 181 ? 13.549 41.822 19.415 0.00 0 408 A
|
||||
ATOM 1704 O OE2 ? GLU Axp 226 ? 13.795 49.067 21.782 -0.14 0 453 A
|
||||
ATOM 1380 O OH ? TYR Axp 186 ? 9.044 45.902 24.895 0.00 0 413 A
|
||||
ATOM 1912 C CZ2 ? TRP Axp 251 ? 12.981 45.897 19.507 0.00 0 478 A
|
||||
ATOM 1670 O OH ? TYR Axp 222 ? 13.311 44.900 22.966 -3.21 0 449 A
|
||||
ATOM 1377 C CE1 ? TYR Axp 186 ? 8.719 43.625 24.184 0.00 0 413 A
|
||||
ATOM 1916 C CA ? ASN Axp 252 ? 7.616 43.585 14.588 0.00 0 479 A
|
||||
ATOM 1907 C CD1 ? TRP Axp 251 ? 10.581 46.580 16.890 0.00 0 478 A
|
||||
ATOM 1919 C CB ? ASN Axp 252 ? 6.603 44.693 14.189 0.00 0 479 A
|
||||
ATOM 1922 N ND2 ? ASN Axp 252 ? 4.934 43.645 15.753 0.00 0 479 A
|
||||
ATOM 1929 C CD ? PRO Axp 253 ? 6.822 41.521 16.535 0.00 0 480 A
|
||||
ATOM 1904 O O ? TRP Axp 251 ? 10.010 42.943 15.867 -2.14 0 478 A
|
||||
ATOM 1920 C CG ? ASN Axp 252 ? 5.132 44.445 14.708 0.00 0 479 A
|
||||
ATOM 1342 C CA ? GLU Axp 182 ? 10.202 40.012 21.581 0.00 0 409 A
|
||||
ATOM 1341 N N ? GLU Axp 182 ? 11.384 40.036 20.693 0.00 0 409 A
|
||||
ATOM 1910 C CE2 ? TRP Axp 251 ? 12.201 46.076 18.371 0.00 0 478 A
|
||||
ATOM 1345 C CB ? GLU Axp 182 ? 8.847 40.008 20.806 0.00 0 409 A
|
||||
ATOM 1909 N NE1 ? TRP Axp 251 ? 10.978 46.673 18.232 0.00 0 478 A
|
||||
ATOM 1338 C CB ? PRO Axp 181 ? 13.549 41.822 19.415 0.00 0 408 A
|
||||
ATOM 1704 O OE2 ? GLU Axp 226 ? 13.795 49.067 21.782 -0.14 0 453 A
|
||||
#
|
||||
|
||||
@@ -17,39 +17,39 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 1335 C CA ? PRO Axp 181 ? 13.745 40.510 20.132 0.00 0 408 A
|
||||
ATOM 1336 C C ? PRO Axp 181 ? 12.605 40.362 21.166 0.00 0 408 A
|
||||
ATOM 1337 O O ? PRO Axp 181 ? 12.861 40.470 22.386 0.00 0 408 A
|
||||
ATOM 1338 C CB ? PRO Axp 181 ? 13.549 41.822 19.415 0.00 0 408 A
|
||||
ATOM 1339 C CG ? PRO Axp 181 ? 13.831 41.553 17.989 0.00 0 408 A
|
||||
ATOM 1341 N N ? GLU Axp 182 ? 11.384 40.036 20.693 0.00 0 409 A
|
||||
ATOM 1342 C CA ? GLU Axp 182 ? 10.202 40.012 21.581 0.00 0 409 A
|
||||
ATOM 1345 C CB ? GLU Axp 182 ? 8.847 40.008 20.806 0.00 0 409 A
|
||||
ATOM 1348 O OE1 ? GLU Axp 182 ? 9.943 39.397 18.185 0.00 0 409 A
|
||||
ATOM 1368 C CB ? ALA Axp 185 ? 12.114 42.514 24.956 0.00 0 412 A
|
||||
ATOM 1375 C CD1 ? TYR Axp 186 ? 8.465 42.281 24.484 0.00 0 413 A
|
||||
ATOM 1377 C CE1 ? TYR Axp 186 ? 8.719 43.625 24.184 0.00 0 413 A
|
||||
ATOM 1379 C CZ ? TYR Axp 186 ? 8.799 44.572 25.212 0.00 0 413 A
|
||||
ATOM 1380 O OH ? TYR Axp 186 ? 9.044 45.902 24.895 0.00 0 413 A
|
||||
ATOM 1669 C CZ ? TYR Axp 222 ? 14.664 44.476 22.986 0.00 0 449 A
|
||||
ATOM 1670 O OH ? TYR Axp 222 ? 13.311 44.900 22.966 -3.21 0 449 A
|
||||
ATOM 1704 O OE2 ? GLU Axp 226 ? 13.795 49.067 21.782 -0.14 0 453 A
|
||||
ATOM 1903 C C ? TRP Axp 251 ? 10.049 43.616 14.814 0.00 0 478 A
|
||||
ATOM 1904 O O ? TRP Axp 251 ? 10.010 42.943 15.867 -2.14 0 478 A
|
||||
ATOM 1906 C CG ? TRP Axp 251 ? 11.563 45.949 16.152 0.00 0 478 A
|
||||
ATOM 1907 C CD1 ? TRP Axp 251 ? 10.581 46.580 16.890 0.00 0 478 A
|
||||
ATOM 1908 C CD2 ? TRP Axp 251 ? 12.613 45.624 17.090 0.00 0 478 A
|
||||
ATOM 1909 N NE1 ? TRP Axp 251 ? 10.978 46.673 18.232 0.00 0 478 A
|
||||
ATOM 1910 C CE2 ? TRP Axp 251 ? 12.201 46.076 18.371 0.00 0 478 A
|
||||
ATOM 1912 C CZ2 ? TRP Axp 251 ? 12.981 45.897 19.507 0.00 0 478 A
|
||||
ATOM 1914 C CH2 ? TRP Axp 251 ? 14.205 45.275 19.350 0.00 0 478 A
|
||||
ATOM 1915 N N ? ASN Axp 252 ? 8.961 43.912 14.083 -1.09 0 479 A
|
||||
ATOM 1916 C CA ? ASN Axp 252 ? 7.616 43.585 14.588 0.00 0 479 A
|
||||
ATOM 1919 C CB ? ASN Axp 252 ? 6.603 44.693 14.189 0.00 0 479 A
|
||||
ATOM 1920 C CG ? ASN Axp 252 ? 5.132 44.445 14.708 0.00 0 479 A
|
||||
ATOM 1921 O OD1 ? ASN Axp 252 ? 4.205 45.023 14.153 0.00 0 479 A
|
||||
ATOM 1922 N ND2 ? ASN Axp 252 ? 4.934 43.645 15.753 0.00 0 479 A
|
||||
ATOM 1923 N N ? PRO Axp 253 ? 6.925 41.296 15.077 0.00 0 480 A
|
||||
ATOM 1928 C CG ? PRO Axp 253 ? 6.378 40.178 17.069 0.00 0 480 A
|
||||
ATOM 1929 C CD ? PRO Axp 253 ? 6.822 41.521 16.535 0.00 0 480 A
|
||||
ATOM 1335 C CA ? PRO Axp 181 ? 13.745 40.510 20.132 0.00 0 408 A
|
||||
ATOM 1336 C C ? PRO Axp 181 ? 12.605 40.362 21.166 0.00 0 408 A
|
||||
ATOM 1337 O O ? PRO Axp 181 ? 12.861 40.470 22.386 0.00 0 408 A
|
||||
ATOM 1338 C CB ? PRO Axp 181 ? 13.549 41.822 19.415 0.00 0 408 A
|
||||
ATOM 1339 C CG ? PRO Axp 181 ? 13.831 41.553 17.989 0.00 0 408 A
|
||||
ATOM 1341 N N ? GLU Axp 182 ? 11.384 40.036 20.693 0.00 0 409 A
|
||||
ATOM 1342 C CA ? GLU Axp 182 ? 10.202 40.012 21.581 0.00 0 409 A
|
||||
ATOM 1345 C CB ? GLU Axp 182 ? 8.847 40.008 20.806 0.00 0 409 A
|
||||
ATOM 1348 O OE1 ? GLU Axp 182 ? 9.943 39.397 18.185 0.00 0 409 A
|
||||
ATOM 1368 C CB ? ALA Axp 185 ? 12.114 42.514 24.956 0.00 0 412 A
|
||||
ATOM 1375 C CD1 ? TYR Axp 186 ? 8.465 42.281 24.484 0.00 0 413 A
|
||||
ATOM 1377 C CE1 ? TYR Axp 186 ? 8.719 43.625 24.184 0.00 0 413 A
|
||||
ATOM 1379 C CZ ? TYR Axp 186 ? 8.799 44.572 25.212 0.00 0 413 A
|
||||
ATOM 1380 O OH ? TYR Axp 186 ? 9.044 45.902 24.895 0.00 0 413 A
|
||||
ATOM 1669 C CZ ? TYR Axp 222 ? 14.664 44.476 22.986 0.00 0 449 A
|
||||
ATOM 1670 O OH ? TYR Axp 222 ? 13.311 44.900 22.966 -3.21 0 449 A
|
||||
ATOM 1704 O OE2 ? GLU Axp 226 ? 13.795 49.067 21.782 -0.14 0 453 A
|
||||
ATOM 1903 C C ? TRP Axp 251 ? 10.049 43.616 14.814 0.00 0 478 A
|
||||
ATOM 1904 O O ? TRP Axp 251 ? 10.010 42.943 15.867 -2.14 0 478 A
|
||||
ATOM 1906 C CG ? TRP Axp 251 ? 11.563 45.949 16.152 0.00 0 478 A
|
||||
ATOM 1907 C CD1 ? TRP Axp 251 ? 10.581 46.580 16.890 0.00 0 478 A
|
||||
ATOM 1908 C CD2 ? TRP Axp 251 ? 12.613 45.624 17.090 0.00 0 478 A
|
||||
ATOM 1909 N NE1 ? TRP Axp 251 ? 10.978 46.673 18.232 0.00 0 478 A
|
||||
ATOM 1910 C CE2 ? TRP Axp 251 ? 12.201 46.076 18.371 0.00 0 478 A
|
||||
ATOM 1912 C CZ2 ? TRP Axp 251 ? 12.981 45.897 19.507 0.00 0 478 A
|
||||
ATOM 1914 C CH2 ? TRP Axp 251 ? 14.205 45.275 19.350 0.00 0 478 A
|
||||
ATOM 1915 N N ? ASN Axp 252 ? 8.961 43.912 14.083 -1.09 0 479 A
|
||||
ATOM 1916 C CA ? ASN Axp 252 ? 7.616 43.585 14.588 0.00 0 479 A
|
||||
ATOM 1919 C CB ? ASN Axp 252 ? 6.603 44.693 14.189 0.00 0 479 A
|
||||
ATOM 1920 C CG ? ASN Axp 252 ? 5.132 44.445 14.708 0.00 0 479 A
|
||||
ATOM 1921 O OD1 ? ASN Axp 252 ? 4.205 45.023 14.153 0.00 0 479 A
|
||||
ATOM 1922 N ND2 ? ASN Axp 252 ? 4.934 43.645 15.753 0.00 0 479 A
|
||||
ATOM 1923 N N ? PRO Axp 253 ? 6.925 41.296 15.077 0.00 0 480 A
|
||||
ATOM 1928 C CG ? PRO Axp 253 ? 6.378 40.178 17.069 0.00 0 480 A
|
||||
ATOM 1929 C CD ? PRO Axp 253 ? 6.822 41.521 16.535 0.00 0 480 A
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 38:
|
||||
6 - Hydrophobicity Score : 23.9286
|
||||
7 - Polarity Score : 8
|
||||
8 - Amino Acid based volume Score : 4.5000
|
||||
9 - Pocket volume (Monte Carlo) : 382.2310
|
||||
9 - Pocket volume (Monte Carlo) : 378.7838
|
||||
10 -Pocket volume (convex hull) : 25.2098
|
||||
11 - Charge Score : 1
|
||||
12 - Local hydrophobic density Score : 6.2500
|
||||
@@ -39,27 +39,27 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 2434 C CB ? GLU Bxp 52 ? 16.705 61.275 28.123 0.00 0 279 B
|
||||
ATOM 2422 N N ? MET Bxp 51 ? 16.863 62.759 23.520 0.00 0 278 B
|
||||
ATOM 2415 N N ? THR Bxp 50 ? 18.296 65.229 24.944 -1.09 0 277 B
|
||||
ATOM 2419 C CB ? THR Bxp 50 ? 19.119 64.285 22.768 0.00 0 277 B
|
||||
ATOM 2430 N N ? GLU Bxp 52 ? 15.858 61.830 25.872 0.00 0 279 B
|
||||
ATOM 2429 C CE ? MET Bxp 51 ? 18.754 58.341 22.855 0.00 0 278 B
|
||||
ATOM 3284 C CD1 ? LEU Bxp 160 ? 24.002 58.165 35.776 0.00 0 387 B
|
||||
ATOM 2389 N NZ ? LYS Bxp 44 ? 17.801 61.554 36.438 -1.51 0 271 B
|
||||
ATOM 3246 O O ? PHE Bxp 155 ? 20.558 58.316 38.318 -3.21 0 382 B
|
||||
ATOM 2388 C CE ? LYS Bxp 44 ? 18.651 62.752 36.130 0.00 0 271 B
|
||||
ATOM 3285 C CD2 ? LEU Bxp 160 ? 24.855 58.372 33.400 0.00 0 387 B
|
||||
ATOM 2249 N N ? GLU Bxp 28 ? 24.796 63.567 34.565 -3.28 0 255 B
|
||||
ATOM 2246 C CA ? GLY Bxp 27 ? 25.877 61.472 35.144 0.00 0 254 B
|
||||
ATOM 2403 C CD1 ? LEU Bxp 46 ? 17.754 64.717 29.739 0.00 0 273 B
|
||||
ATOM 2409 C CB ? LYS Bxp 47 ? 23.185 66.395 27.547 0.00 0 274 B
|
||||
ATOM 2253 C CB ? GLU Bxp 28 ? 23.848 65.518 33.391 0.00 0 255 B
|
||||
ATOM 2393 O O ? THR Bxp 45 ? 20.453 66.175 33.081 -0.81 0 272 B
|
||||
ATOM 2254 C CG ? GLU Bxp 28 ? 24.497 65.301 32.044 0.00 0 255 B
|
||||
ATOM 3257 O O ? GLY Bxp 156 ? 20.946 56.177 35.838 -1.88 0 383 B
|
||||
ATOM 2236 O O ? TYR Bxp 26 ? 24.234 61.199 37.306 -3.21 0 253 B
|
||||
ATOM 2405 N N ? LYS Bxp 47 ? 21.180 66.982 28.938 -3.28 0 274 B
|
||||
ATOM 3283 C CG ? LEU Bxp 160 ? 24.435 57.411 34.518 0.00 0 387 B
|
||||
ATOM 3277 C CG ? ARG Bxp 159 ? 21.090 55.179 32.234 0.00 0 386 B
|
||||
ATOM 2434 C CB ? GLU Bxp 52 ? 16.705 61.275 28.123 0.00 0 279 B
|
||||
ATOM 2422 N N ? MET Bxp 51 ? 16.863 62.759 23.520 0.00 0 278 B
|
||||
ATOM 2415 N N ? THR Bxp 50 ? 18.296 65.229 24.944 -1.09 0 277 B
|
||||
ATOM 2419 C CB ? THR Bxp 50 ? 19.119 64.285 22.768 0.00 0 277 B
|
||||
ATOM 2430 N N ? GLU Bxp 52 ? 15.858 61.830 25.872 0.00 0 279 B
|
||||
ATOM 2429 C CE ? MET Bxp 51 ? 18.754 58.341 22.855 0.00 0 278 B
|
||||
ATOM 3284 C CD1 ? LEU Bxp 160 ? 24.002 58.165 35.776 0.00 0 387 B
|
||||
ATOM 2389 N NZ ? LYS Bxp 44 ? 17.801 61.554 36.438 -1.51 0 271 B
|
||||
ATOM 3246 O O ? PHE Bxp 155 ? 20.558 58.316 38.318 -3.21 0 382 B
|
||||
ATOM 2388 C CE ? LYS Bxp 44 ? 18.651 62.752 36.130 0.00 0 271 B
|
||||
ATOM 3285 C CD2 ? LEU Bxp 160 ? 24.855 58.372 33.400 0.00 0 387 B
|
||||
ATOM 2249 N N ? GLU Bxp 28 ? 24.796 63.567 34.565 -3.28 0 255 B
|
||||
ATOM 2246 C CA ? GLY Bxp 27 ? 25.877 61.472 35.144 0.00 0 254 B
|
||||
ATOM 2403 C CD1 ? LEU Bxp 46 ? 17.754 64.717 29.739 0.00 0 273 B
|
||||
ATOM 2409 C CB ? LYS Bxp 47 ? 23.185 66.395 27.547 0.00 0 274 B
|
||||
ATOM 2253 C CB ? GLU Bxp 28 ? 23.848 65.518 33.391 0.00 0 255 B
|
||||
ATOM 2393 O O ? THR Bxp 45 ? 20.453 66.175 33.081 -0.81 0 272 B
|
||||
ATOM 2254 C CG ? GLU Bxp 28 ? 24.497 65.301 32.044 0.00 0 255 B
|
||||
ATOM 3257 O O ? GLY Bxp 156 ? 20.946 56.177 35.838 -1.88 0 383 B
|
||||
ATOM 2236 O O ? TYR Bxp 26 ? 24.234 61.199 37.306 -3.21 0 253 B
|
||||
ATOM 2405 N N ? LYS Bxp 47 ? 21.180 66.982 28.938 -3.28 0 274 B
|
||||
ATOM 3283 C CG ? LEU Bxp 160 ? 24.435 57.411 34.518 0.00 0 387 B
|
||||
ATOM 3277 C CG ? ARG Bxp 159 ? 21.090 55.179 32.234 0.00 0 386 B
|
||||
#
|
||||
|
||||
@@ -17,48 +17,48 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 2235 C C ? TYR Bxp 26 ? 25.371 60.782 37.414 0.00 0 253 B
|
||||
ATOM 2236 O O ? TYR Bxp 26 ? 24.234 61.199 37.306 -3.21 0 253 B
|
||||
ATOM 2245 N N ? GLY Bxp 27 ? 26.240 60.831 36.410 0.00 0 254 B
|
||||
ATOM 2246 C CA ? GLY Bxp 27 ? 25.877 61.472 35.144 0.00 0 254 B
|
||||
ATOM 2247 C C ? GLY Bxp 27 ? 25.759 62.991 35.269 0.00 0 254 B
|
||||
ATOM 2249 N N ? GLU Bxp 28 ? 24.796 63.567 34.565 -3.28 0 255 B
|
||||
ATOM 2250 C CA ? GLU Bxp 28 ? 24.666 65.029 34.584 0.00 0 255 B
|
||||
ATOM 2253 C CB ? GLU Bxp 28 ? 23.848 65.518 33.391 0.00 0 255 B
|
||||
ATOM 2254 C CG ? GLU Bxp 28 ? 24.497 65.301 32.044 0.00 0 255 B
|
||||
ATOM 2388 C CE ? LYS Bxp 44 ? 18.651 62.752 36.130 0.00 0 271 B
|
||||
ATOM 2389 N NZ ? LYS Bxp 44 ? 17.801 61.554 36.438 -1.51 0 271 B
|
||||
ATOM 2392 C C ? THR Bxp 45 ? 20.288 67.399 32.978 0.00 0 272 B
|
||||
ATOM 2393 O O ? THR Bxp 45 ? 20.453 66.175 33.081 -0.81 0 272 B
|
||||
ATOM 2398 C CA ? LEU Bxp 46 ? 19.514 67.174 30.716 0.00 0 273 B
|
||||
ATOM 2399 C C ? LEU Bxp 46 ? 20.328 67.801 29.576 0.00 0 273 B
|
||||
ATOM 2402 C CG ? LEU Bxp 46 ? 17.385 66.162 29.440 0.00 0 273 B
|
||||
ATOM 2403 C CD1 ? LEU Bxp 46 ? 17.754 64.717 29.739 0.00 0 273 B
|
||||
ATOM 2405 N N ? LYS Bxp 47 ? 21.180 66.982 28.938 -3.28 0 274 B
|
||||
ATOM 2406 C CA ? LYS Bxp 47 ? 22.042 67.410 27.791 0.00 0 274 B
|
||||
ATOM 2407 C C ? LYS Bxp 47 ? 21.266 67.729 26.471 0.00 0 274 B
|
||||
ATOM 2408 O O ? LYS Bxp 47 ? 20.025 67.555 26.399 -1.07 0 274 B
|
||||
ATOM 2409 C CB ? LYS Bxp 47 ? 23.185 66.395 27.547 0.00 0 274 B
|
||||
ATOM 2415 N N ? THR Bxp 50 ? 18.296 65.229 24.944 -1.09 0 277 B
|
||||
ATOM 2416 C CA ? THR Bxp 50 ? 17.939 64.959 23.550 0.00 0 277 B
|
||||
ATOM 2417 C C ? THR Bxp 50 ? 16.678 64.086 23.513 0.00 0 277 B
|
||||
ATOM 2419 C CB ? THR Bxp 50 ? 19.119 64.285 22.768 0.00 0 277 B
|
||||
ATOM 2420 O OG1 ? THR Bxp 50 ? 20.319 65.075 22.901 0.00 0 277 B
|
||||
ATOM 2422 N N ? MET Bxp 51 ? 16.863 62.759 23.520 0.00 0 278 B
|
||||
ATOM 2423 C CA ? MET Bxp 51 ? 15.754 61.789 23.449 0.00 0 278 B
|
||||
ATOM 2424 C C ? MET Bxp 51 ? 15.067 61.654 24.804 0.00 0 278 B
|
||||
ATOM 2426 C CB ? MET Bxp 51 ? 16.251 60.392 23.037 0.00 0 278 B
|
||||
ATOM 2427 C CG ? MET Bxp 51 ? 17.043 60.298 21.727 0.00 0 278 B
|
||||
ATOM 2429 C CE ? MET Bxp 51 ? 18.754 58.341 22.855 0.00 0 278 B
|
||||
ATOM 2430 N N ? GLU Bxp 52 ? 15.858 61.830 25.872 0.00 0 279 B
|
||||
ATOM 2431 C CA ? GLU Bxp 52 ? 15.458 61.511 27.245 0.00 0 279 B
|
||||
ATOM 2434 C CB ? GLU Bxp 52 ? 16.705 61.275 28.123 0.00 0 279 B
|
||||
ATOM 3246 O O ? PHE Bxp 155 ? 20.558 58.316 38.318 -3.21 0 382 B
|
||||
ATOM 3255 C CA ? GLY Bxp 156 ? 19.014 56.342 37.269 0.00 0 383 B
|
||||
ATOM 3256 C C ? GLY Bxp 156 ? 20.360 55.778 36.866 0.00 0 383 B
|
||||
ATOM 3257 O O ? GLY Bxp 156 ? 20.946 56.177 35.838 -1.88 0 383 B
|
||||
ATOM 3277 C CG ? ARG Bxp 159 ? 21.090 55.179 32.234 0.00 0 386 B
|
||||
ATOM 3283 C CG ? LEU Bxp 160 ? 24.435 57.411 34.518 0.00 0 387 B
|
||||
ATOM 3284 C CD1 ? LEU Bxp 160 ? 24.002 58.165 35.776 0.00 0 387 B
|
||||
ATOM 3285 C CD2 ? LEU Bxp 160 ? 24.855 58.372 33.400 0.00 0 387 B
|
||||
ATOM 2235 C C ? TYR Bxp 26 ? 25.371 60.782 37.414 0.00 0 253 B
|
||||
ATOM 2236 O O ? TYR Bxp 26 ? 24.234 61.199 37.306 -3.21 0 253 B
|
||||
ATOM 2245 N N ? GLY Bxp 27 ? 26.240 60.831 36.410 0.00 0 254 B
|
||||
ATOM 2246 C CA ? GLY Bxp 27 ? 25.877 61.472 35.144 0.00 0 254 B
|
||||
ATOM 2247 C C ? GLY Bxp 27 ? 25.759 62.991 35.269 0.00 0 254 B
|
||||
ATOM 2249 N N ? GLU Bxp 28 ? 24.796 63.567 34.565 -3.28 0 255 B
|
||||
ATOM 2250 C CA ? GLU Bxp 28 ? 24.666 65.029 34.584 0.00 0 255 B
|
||||
ATOM 2253 C CB ? GLU Bxp 28 ? 23.848 65.518 33.391 0.00 0 255 B
|
||||
ATOM 2254 C CG ? GLU Bxp 28 ? 24.497 65.301 32.044 0.00 0 255 B
|
||||
ATOM 2388 C CE ? LYS Bxp 44 ? 18.651 62.752 36.130 0.00 0 271 B
|
||||
ATOM 2389 N NZ ? LYS Bxp 44 ? 17.801 61.554 36.438 -1.51 0 271 B
|
||||
ATOM 2392 C C ? THR Bxp 45 ? 20.288 67.399 32.978 0.00 0 272 B
|
||||
ATOM 2393 O O ? THR Bxp 45 ? 20.453 66.175 33.081 -0.81 0 272 B
|
||||
ATOM 2398 C CA ? LEU Bxp 46 ? 19.514 67.174 30.716 0.00 0 273 B
|
||||
ATOM 2399 C C ? LEU Bxp 46 ? 20.328 67.801 29.576 0.00 0 273 B
|
||||
ATOM 2402 C CG ? LEU Bxp 46 ? 17.385 66.162 29.440 0.00 0 273 B
|
||||
ATOM 2403 C CD1 ? LEU Bxp 46 ? 17.754 64.717 29.739 0.00 0 273 B
|
||||
ATOM 2405 N N ? LYS Bxp 47 ? 21.180 66.982 28.938 -3.28 0 274 B
|
||||
ATOM 2406 C CA ? LYS Bxp 47 ? 22.042 67.410 27.791 0.00 0 274 B
|
||||
ATOM 2407 C C ? LYS Bxp 47 ? 21.266 67.729 26.471 0.00 0 274 B
|
||||
ATOM 2408 O O ? LYS Bxp 47 ? 20.025 67.555 26.399 -1.07 0 274 B
|
||||
ATOM 2409 C CB ? LYS Bxp 47 ? 23.185 66.395 27.547 0.00 0 274 B
|
||||
ATOM 2415 N N ? THR Bxp 50 ? 18.296 65.229 24.944 -1.09 0 277 B
|
||||
ATOM 2416 C CA ? THR Bxp 50 ? 17.939 64.959 23.550 0.00 0 277 B
|
||||
ATOM 2417 C C ? THR Bxp 50 ? 16.678 64.086 23.513 0.00 0 277 B
|
||||
ATOM 2419 C CB ? THR Bxp 50 ? 19.119 64.285 22.768 0.00 0 277 B
|
||||
ATOM 2420 O OG1 ? THR Bxp 50 ? 20.319 65.075 22.901 0.00 0 277 B
|
||||
ATOM 2422 N N ? MET Bxp 51 ? 16.863 62.759 23.520 0.00 0 278 B
|
||||
ATOM 2423 C CA ? MET Bxp 51 ? 15.754 61.789 23.449 0.00 0 278 B
|
||||
ATOM 2424 C C ? MET Bxp 51 ? 15.067 61.654 24.804 0.00 0 278 B
|
||||
ATOM 2426 C CB ? MET Bxp 51 ? 16.251 60.392 23.037 0.00 0 278 B
|
||||
ATOM 2427 C CG ? MET Bxp 51 ? 17.043 60.298 21.727 0.00 0 278 B
|
||||
ATOM 2429 C CE ? MET Bxp 51 ? 18.754 58.341 22.855 0.00 0 278 B
|
||||
ATOM 2430 N N ? GLU Bxp 52 ? 15.858 61.830 25.872 0.00 0 279 B
|
||||
ATOM 2431 C CA ? GLU Bxp 52 ? 15.458 61.511 27.245 0.00 0 279 B
|
||||
ATOM 2434 C CB ? GLU Bxp 52 ? 16.705 61.275 28.123 0.00 0 279 B
|
||||
ATOM 3246 O O ? PHE Bxp 155 ? 20.558 58.316 38.318 -3.21 0 382 B
|
||||
ATOM 3255 C CA ? GLY Bxp 156 ? 19.014 56.342 37.269 0.00 0 383 B
|
||||
ATOM 3256 C C ? GLY Bxp 156 ? 20.360 55.778 36.866 0.00 0 383 B
|
||||
ATOM 3257 O O ? GLY Bxp 156 ? 20.946 56.177 35.838 -1.88 0 383 B
|
||||
ATOM 3277 C CG ? ARG Bxp 159 ? 21.090 55.179 32.234 0.00 0 386 B
|
||||
ATOM 3283 C CG ? LEU Bxp 160 ? 24.435 57.411 34.518 0.00 0 387 B
|
||||
ATOM 3284 C CD1 ? LEU Bxp 160 ? 24.002 58.165 35.776 0.00 0 387 B
|
||||
ATOM 3285 C CD2 ? LEU Bxp 160 ? 24.855 58.372 33.400 0.00 0 387 B
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 39:
|
||||
6 - Hydrophobicity Score : 47.7143
|
||||
7 - Polarity Score : 3
|
||||
8 - Amino Acid based volume Score : 4.4286
|
||||
9 - Pocket volume (Monte Carlo) : 191.9025
|
||||
9 - Pocket volume (Monte Carlo) : 191.2734
|
||||
10 -Pocket volume (convex hull) : 1.6193
|
||||
11 - Charge Score : -1
|
||||
12 - Local hydrophobic density Score : 10.0000
|
||||
@@ -39,19 +39,19 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 3055 C CA ? ASN Bxp 131 ? 1.394 52.314 45.462 0.00 0 358 B
|
||||
ATOM 3518 C CG2 ? ILE Bxp 191 ? 4.483 46.138 47.305 0.00 0 418 B
|
||||
ATOM 3060 O OD1 ? ASN Bxp 131 ? -1.347 50.610 46.288 0.00 0 358 B
|
||||
ATOM 3058 C CB ? ASN Bxp 131 ? -0.030 52.121 44.847 0.00 0 358 B
|
||||
ATOM 3030 O O ? GLU Bxp 128 ? 1.796 51.137 48.745 -0.40 0 355 B
|
||||
ATOM 3057 O O ? ASN Bxp 131 ? 2.313 52.477 43.142 -2.55 0 358 B
|
||||
ATOM 3512 N N ? ILE Bxp 191 ? 6.097 46.243 44.562 0.00 0 418 B
|
||||
ATOM 3078 C CG1 ? ILE Bxp 133 ? 5.858 49.201 41.938 0.00 0 360 B
|
||||
ATOM 3516 C CB ? ILE Bxp 191 ? 5.540 47.169 46.814 0.00 0 418 B
|
||||
ATOM 3065 O O ? PHE Bxp 132 ? 5.571 51.429 45.020 -1.07 0 359 B
|
||||
ATOM 3056 C C ? ASN Bxp 131 ? 2.500 52.680 44.372 0.00 0 358 B
|
||||
ATOM 3510 C CB ? SER Bxp 190 ? 5.355 43.862 42.730 0.00 0 417 B
|
||||
ATOM 3507 C CA ? SER Bxp 190 ? 6.118 45.148 42.359 0.00 0 417 B
|
||||
ATOM 3498 O O ? PHE Bxp 189 ? 5.828 44.575 39.646 -5.36 0 416 B
|
||||
ATOM 3080 C CD1 ? ILE Bxp 133 ? 5.253 48.487 40.580 0.00 0 360 B
|
||||
ATOM 3055 C CA ? ASN Bxp 131 ? 1.394 52.314 45.462 0.00 0 358 B
|
||||
ATOM 3518 C CG2 ? ILE Bxp 191 ? 4.483 46.138 47.305 0.00 0 418 B
|
||||
ATOM 3060 O OD1 ? ASN Bxp 131 ? -1.347 50.610 46.288 0.00 0 358 B
|
||||
ATOM 3058 C CB ? ASN Bxp 131 ? -0.030 52.121 44.847 0.00 0 358 B
|
||||
ATOM 3030 O O ? GLU Bxp 128 ? 1.796 51.137 48.745 -0.40 0 355 B
|
||||
ATOM 3057 O O ? ASN Bxp 131 ? 2.313 52.477 43.142 -2.55 0 358 B
|
||||
ATOM 3512 N N ? ILE Bxp 191 ? 6.097 46.243 44.562 0.00 0 418 B
|
||||
ATOM 3078 C CG1 ? ILE Bxp 133 ? 5.858 49.201 41.938 0.00 0 360 B
|
||||
ATOM 3516 C CB ? ILE Bxp 191 ? 5.540 47.169 46.814 0.00 0 418 B
|
||||
ATOM 3065 O O ? PHE Bxp 132 ? 5.571 51.429 45.020 -1.07 0 359 B
|
||||
ATOM 3056 C C ? ASN Bxp 131 ? 2.500 52.680 44.372 0.00 0 358 B
|
||||
ATOM 3510 C CB ? SER Bxp 190 ? 5.355 43.862 42.730 0.00 0 417 B
|
||||
ATOM 3507 C CA ? SER Bxp 190 ? 6.118 45.148 42.359 0.00 0 417 B
|
||||
ATOM 3498 O O ? PHE Bxp 189 ? 5.828 44.575 39.646 -5.36 0 416 B
|
||||
ATOM 3080 C CD1 ? ILE Bxp 133 ? 5.253 48.487 40.580 0.00 0 360 B
|
||||
#
|
||||
|
||||
@@ -17,32 +17,32 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 3022 O O ? LEU Bxp 127 ? 4.304 53.283 47.643 0.00 0 354 B
|
||||
ATOM 3028 C CA ? GLU Bxp 128 ? 4.135 51.027 49.254 0.00 0 355 B
|
||||
ATOM 3029 C C ? GLU Bxp 128 ? 2.691 51.548 49.459 0.00 0 355 B
|
||||
ATOM 3030 O O ? GLU Bxp 128 ? 1.796 51.137 48.745 -0.40 0 355 B
|
||||
ATOM 3054 N N ? ASN Bxp 131 ? 1.380 53.232 46.610 0.00 0 358 B
|
||||
ATOM 3055 C CA ? ASN Bxp 131 ? 1.394 52.314 45.462 0.00 0 358 B
|
||||
ATOM 3056 C C ? ASN Bxp 131 ? 2.500 52.680 44.372 0.00 0 358 B
|
||||
ATOM 3057 O O ? ASN Bxp 131 ? 2.313 52.477 43.142 -2.55 0 358 B
|
||||
ATOM 3058 C CB ? ASN Bxp 131 ? -0.030 52.121 44.847 0.00 0 358 B
|
||||
ATOM 3059 C CG ? ASN Bxp 131 ? -1.154 51.772 45.905 0.00 0 358 B
|
||||
ATOM 3060 O OD1 ? ASN Bxp 131 ? -1.347 50.610 46.288 0.00 0 358 B
|
||||
ATOM 3062 N N ? PHE Bxp 132 ? 3.633 53.221 44.835 0.00 0 359 B
|
||||
ATOM 3064 C C ? PHE Bxp 132 ? 5.692 52.185 44.064 0.00 0 359 B
|
||||
ATOM 3065 O O ? PHE Bxp 132 ? 5.571 51.429 45.020 -1.07 0 359 B
|
||||
ATOM 3078 C CG1 ? ILE Bxp 133 ? 5.858 49.201 41.938 0.00 0 360 B
|
||||
ATOM 3080 C CD1 ? ILE Bxp 133 ? 5.253 48.487 40.580 0.00 0 360 B
|
||||
ATOM 3497 C C ? PHE Bxp 189 ? 6.970 44.606 40.112 0.00 0 416 B
|
||||
ATOM 3498 O O ? PHE Bxp 189 ? 5.828 44.575 39.646 -5.36 0 416 B
|
||||
ATOM 3506 N N ? SER Bxp 190 ? 7.197 44.865 41.403 0.00 0 417 B
|
||||
ATOM 3507 C CA ? SER Bxp 190 ? 6.118 45.148 42.359 0.00 0 417 B
|
||||
ATOM 3508 C C ? SER Bxp 190 ? 6.830 45.692 43.597 0.00 0 417 B
|
||||
ATOM 3510 C CB ? SER Bxp 190 ? 5.355 43.862 42.730 0.00 0 417 B
|
||||
ATOM 3512 N N ? ILE Bxp 191 ? 6.097 46.243 44.562 0.00 0 418 B
|
||||
ATOM 3513 C CA ? ILE Bxp 191 ? 6.638 46.537 45.865 0.00 0 418 B
|
||||
ATOM 3516 C CB ? ILE Bxp 191 ? 5.540 47.169 46.814 0.00 0 418 B
|
||||
ATOM 3517 C CG1 ? ILE Bxp 191 ? 6.172 47.952 47.969 0.00 0 418 B
|
||||
ATOM 3518 C CG2 ? ILE Bxp 191 ? 4.483 46.138 47.305 0.00 0 418 B
|
||||
ATOM 3519 C CD1 ? ILE Bxp 191 ? 6.861 49.339 47.476 0.00 0 418 B
|
||||
ATOM 3022 O O ? LEU Bxp 127 ? 4.304 53.283 47.643 0.00 0 354 B
|
||||
ATOM 3028 C CA ? GLU Bxp 128 ? 4.135 51.027 49.254 0.00 0 355 B
|
||||
ATOM 3029 C C ? GLU Bxp 128 ? 2.691 51.548 49.459 0.00 0 355 B
|
||||
ATOM 3030 O O ? GLU Bxp 128 ? 1.796 51.137 48.745 -0.40 0 355 B
|
||||
ATOM 3054 N N ? ASN Bxp 131 ? 1.380 53.232 46.610 0.00 0 358 B
|
||||
ATOM 3055 C CA ? ASN Bxp 131 ? 1.394 52.314 45.462 0.00 0 358 B
|
||||
ATOM 3056 C C ? ASN Bxp 131 ? 2.500 52.680 44.372 0.00 0 358 B
|
||||
ATOM 3057 O O ? ASN Bxp 131 ? 2.313 52.477 43.142 -2.55 0 358 B
|
||||
ATOM 3058 C CB ? ASN Bxp 131 ? -0.030 52.121 44.847 0.00 0 358 B
|
||||
ATOM 3059 C CG ? ASN Bxp 131 ? -1.154 51.772 45.905 0.00 0 358 B
|
||||
ATOM 3060 O OD1 ? ASN Bxp 131 ? -1.347 50.610 46.288 0.00 0 358 B
|
||||
ATOM 3062 N N ? PHE Bxp 132 ? 3.633 53.221 44.835 0.00 0 359 B
|
||||
ATOM 3064 C C ? PHE Bxp 132 ? 5.692 52.185 44.064 0.00 0 359 B
|
||||
ATOM 3065 O O ? PHE Bxp 132 ? 5.571 51.429 45.020 -1.07 0 359 B
|
||||
ATOM 3078 C CG1 ? ILE Bxp 133 ? 5.858 49.201 41.938 0.00 0 360 B
|
||||
ATOM 3080 C CD1 ? ILE Bxp 133 ? 5.253 48.487 40.580 0.00 0 360 B
|
||||
ATOM 3497 C C ? PHE Bxp 189 ? 6.970 44.606 40.112 0.00 0 416 B
|
||||
ATOM 3498 O O ? PHE Bxp 189 ? 5.828 44.575 39.646 -5.36 0 416 B
|
||||
ATOM 3506 N N ? SER Bxp 190 ? 7.197 44.865 41.403 0.00 0 417 B
|
||||
ATOM 3507 C CA ? SER Bxp 190 ? 6.118 45.148 42.359 0.00 0 417 B
|
||||
ATOM 3508 C C ? SER Bxp 190 ? 6.830 45.692 43.597 0.00 0 417 B
|
||||
ATOM 3510 C CB ? SER Bxp 190 ? 5.355 43.862 42.730 0.00 0 417 B
|
||||
ATOM 3512 N N ? ILE Bxp 191 ? 6.097 46.243 44.562 0.00 0 418 B
|
||||
ATOM 3513 C CA ? ILE Bxp 191 ? 6.638 46.537 45.865 0.00 0 418 B
|
||||
ATOM 3516 C CB ? ILE Bxp 191 ? 5.540 47.169 46.814 0.00 0 418 B
|
||||
ATOM 3517 C CG1 ? ILE Bxp 191 ? 6.172 47.952 47.969 0.00 0 418 B
|
||||
ATOM 3518 C CG2 ? ILE Bxp 191 ? 4.483 46.138 47.305 0.00 0 418 B
|
||||
ATOM 3519 C CD1 ? ILE Bxp 191 ? 6.861 49.339 47.476 0.00 0 418 B
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 3:
|
||||
6 - Hydrophobicity Score : 45.0556
|
||||
7 - Polarity Score : 6
|
||||
8 - Amino Acid based volume Score : 4.2778
|
||||
9 - Pocket volume (Monte Carlo) : 478.4703
|
||||
9 - Pocket volume (Monte Carlo) : 478.3677
|
||||
10 -Pocket volume (convex hull) : 85.2146
|
||||
11 - Charge Score : -2
|
||||
12 - Local hydrophobic density Score : 50.1000
|
||||
@@ -39,46 +39,46 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 291 C CD ? LYS Axp 44 ? 15.360 12.719 23.545 0.00 0 271 A
|
||||
ATOM 1152 C CD2 ? PHE Axp 155 ? 17.965 16.105 17.622 0.00 0 382 A
|
||||
ATOM 1140 O O ? ASP Axp 154 ? 14.624 17.507 19.553 -1.07 0 381 A
|
||||
ATOM 1146 C CA ? PHE Axp 155 ? 17.270 17.690 20.146 0.00 0 382 A
|
||||
ATOM 400 O OE2 ? GLU Axp 59 ? 12.114 15.014 21.842 -1.07 0 286 A
|
||||
ATOM 115 C CD2 ? LEU Axp 21 ? 23.833 8.296 15.998 0.00 0 248 A
|
||||
ATOM 1062 C CD2 ? LEU Axp 143 ? 20.456 14.781 12.716 0.00 0 370 A
|
||||
ATOM 633 C CE1 ? PHE Axp 90 ? 23.219 7.620 12.523 0.00 0 317 A
|
||||
ATOM 114 C CD1 ? LEU Axp 21 ? 21.873 9.215 17.198 0.00 0 248 A
|
||||
ATOM 1136 C CB ? ALA Axp 153 ? 15.518 17.175 14.468 0.00 0 380 A
|
||||
ATOM 495 C CG1 ? VAL Axp 72 ? 13.165 14.244 14.057 0.00 0 299 A
|
||||
ATOM 1137 N N ? ASP Axp 154 ? 14.471 18.582 16.816 0.00 0 381 A
|
||||
ATOM 1154 C CE2 ? PHE Axp 155 ? 18.010 15.799 16.255 0.00 0 382 A
|
||||
ATOM 1061 C CD1 ? LEU Axp 143 ? 18.015 14.074 12.608 0.00 0 370 A
|
||||
ATOM 277 C CB ? ALA Axp 42 ? 18.427 8.356 16.648 0.00 0 269 A
|
||||
ATOM 289 C CB ? LYS Axp 44 ? 15.797 10.372 22.745 0.00 0 271 A
|
||||
ATOM 599 C CG2 ? ILE Axp 86 ? 11.085 9.599 20.540 0.00 0 313 A
|
||||
ATOM 167 C CG1 ? VAL Axp 29 ? 19.966 10.181 20.110 0.00 0 256 A
|
||||
ATOM 285 N N ? LYS Axp 44 ? 16.361 8.149 21.868 0.00 0 271 A
|
||||
ATOM 142 C CG ? TYR Axp 26 ? 22.920 14.495 19.114 0.00 0 253 A
|
||||
ATOM 141 C CB ? TYR Axp 26 ? 22.492 14.042 20.472 0.00 0 253 A
|
||||
ATOM 639 O O ? MET Axp 91 ? 22.317 10.826 9.705 0.00 0 318 A
|
||||
ATOM 664 C CA ? GLY Axp 94 ? 24.159 13.940 10.732 0.00 0 321 A
|
||||
ATOM 636 N N ? MET Axp 91 ? 19.652 9.668 10.399 0.00 0 318 A
|
||||
ATOM 619 O O ? GLU Axp 89 ? 16.473 8.836 12.965 0.00 0 316 A
|
||||
ATOM 614 O OG1 ? THR Axp 88 ? 14.889 9.816 15.321 0.00 0 315 A
|
||||
ATOM 496 C CG2 ? VAL Axp 72 ? 14.534 12.825 12.627 0.00 0 299 A
|
||||
ATOM 276 O O ? ALA Axp 42 ? 16.055 6.718 17.984 0.00 0 269 A
|
||||
ATOM 596 O O ? ILE Axp 86 ? 13.924 7.488 20.783 0.00 0 313 A
|
||||
ATOM 168 C CG2 ? VAL Axp 29 ? 19.367 11.656 22.003 0.00 0 256 A
|
||||
ATOM 1148 O O ? PHE Axp 155 ? 18.053 17.370 22.341 -5.36 0 382 A
|
||||
ATOM 143 C CD1 ? TYR Axp 26 ? 23.817 13.724 18.368 0.00 0 253 A
|
||||
ATOM 631 C CD1 ? PHE Axp 90 ? 21.864 7.388 12.762 0.00 0 317 A
|
||||
ATOM 144 C CD2 ? TYR Axp 26 ? 22.432 15.684 18.553 0.00 0 253 A
|
||||
ATOM 1149 C CB ? PHE Axp 155 ? 18.696 17.470 19.592 0.00 0 382 A
|
||||
ATOM 615 C CG2 ? THR Axp 88 ? 12.570 10.243 16.121 0.00 0 315 A
|
||||
ATOM 424 S SD ? MET Axp 63 ? 9.944 12.949 18.625 0.00 0 290 A
|
||||
ATOM 147 C CZ ? TYR Axp 26 ? 23.727 15.310 16.576 0.00 0 253 A
|
||||
ATOM 146 C CE2 ? TYR Axp 26 ? 22.849 16.098 17.286 0.00 0 253 A
|
||||
ATOM 626 C CA ? PHE Axp 90 ? 18.655 7.862 11.634 0.00 0 317 A
|
||||
ATOM 145 C CE1 ? TYR Axp 26 ? 24.215 14.118 17.108 0.00 0 253 A
|
||||
ATOM 148 O OH ? TYR Axp 26 ? 24.138 15.654 15.314 0.00 0 253 A
|
||||
ATOM 291 C CD ? LYS Axp 44 ? 15.360 12.719 23.545 0.00 0 271 A
|
||||
ATOM 1152 C CD2 ? PHE Axp 155 ? 17.965 16.105 17.622 0.00 0 382 A
|
||||
ATOM 1140 O O ? ASP Axp 154 ? 14.624 17.507 19.553 -1.07 0 381 A
|
||||
ATOM 1146 C CA ? PHE Axp 155 ? 17.270 17.690 20.146 0.00 0 382 A
|
||||
ATOM 400 O OE2 ? GLU Axp 59 ? 12.114 15.014 21.842 -1.07 0 286 A
|
||||
ATOM 115 C CD2 ? LEU Axp 21 ? 23.833 8.296 15.998 0.00 0 248 A
|
||||
ATOM 1062 C CD2 ? LEU Axp 143 ? 20.456 14.781 12.716 0.00 0 370 A
|
||||
ATOM 633 C CE1 ? PHE Axp 90 ? 23.219 7.620 12.523 0.00 0 317 A
|
||||
ATOM 114 C CD1 ? LEU Axp 21 ? 21.873 9.215 17.198 0.00 0 248 A
|
||||
ATOM 1136 C CB ? ALA Axp 153 ? 15.518 17.175 14.468 0.00 0 380 A
|
||||
ATOM 495 C CG1 ? VAL Axp 72 ? 13.165 14.244 14.057 0.00 0 299 A
|
||||
ATOM 1137 N N ? ASP Axp 154 ? 14.471 18.582 16.816 0.00 0 381 A
|
||||
ATOM 1154 C CE2 ? PHE Axp 155 ? 18.010 15.799 16.255 0.00 0 382 A
|
||||
ATOM 1061 C CD1 ? LEU Axp 143 ? 18.015 14.074 12.608 0.00 0 370 A
|
||||
ATOM 277 C CB ? ALA Axp 42 ? 18.427 8.356 16.648 0.00 0 269 A
|
||||
ATOM 289 C CB ? LYS Axp 44 ? 15.797 10.372 22.745 0.00 0 271 A
|
||||
ATOM 599 C CG2 ? ILE Axp 86 ? 11.085 9.599 20.540 0.00 0 313 A
|
||||
ATOM 167 C CG1 ? VAL Axp 29 ? 19.966 10.181 20.110 0.00 0 256 A
|
||||
ATOM 285 N N ? LYS Axp 44 ? 16.361 8.149 21.868 0.00 0 271 A
|
||||
ATOM 142 C CG ? TYR Axp 26 ? 22.920 14.495 19.114 0.00 0 253 A
|
||||
ATOM 141 C CB ? TYR Axp 26 ? 22.492 14.042 20.472 0.00 0 253 A
|
||||
ATOM 639 O O ? MET Axp 91 ? 22.317 10.826 9.705 0.00 0 318 A
|
||||
ATOM 664 C CA ? GLY Axp 94 ? 24.159 13.940 10.732 0.00 0 321 A
|
||||
ATOM 636 N N ? MET Axp 91 ? 19.652 9.668 10.399 0.00 0 318 A
|
||||
ATOM 619 O O ? GLU Axp 89 ? 16.473 8.836 12.965 0.00 0 316 A
|
||||
ATOM 614 O OG1 ? THR Axp 88 ? 14.889 9.816 15.321 0.00 0 315 A
|
||||
ATOM 496 C CG2 ? VAL Axp 72 ? 14.534 12.825 12.627 0.00 0 299 A
|
||||
ATOM 276 O O ? ALA Axp 42 ? 16.055 6.718 17.984 0.00 0 269 A
|
||||
ATOM 596 O O ? ILE Axp 86 ? 13.924 7.488 20.783 0.00 0 313 A
|
||||
ATOM 168 C CG2 ? VAL Axp 29 ? 19.367 11.656 22.003 0.00 0 256 A
|
||||
ATOM 1148 O O ? PHE Axp 155 ? 18.053 17.370 22.341 -5.36 0 382 A
|
||||
ATOM 143 C CD1 ? TYR Axp 26 ? 23.817 13.724 18.368 0.00 0 253 A
|
||||
ATOM 631 C CD1 ? PHE Axp 90 ? 21.864 7.388 12.762 0.00 0 317 A
|
||||
ATOM 144 C CD2 ? TYR Axp 26 ? 22.432 15.684 18.553 0.00 0 253 A
|
||||
ATOM 1149 C CB ? PHE Axp 155 ? 18.696 17.470 19.592 0.00 0 382 A
|
||||
ATOM 615 C CG2 ? THR Axp 88 ? 12.570 10.243 16.121 0.00 0 315 A
|
||||
ATOM 424 S SD ? MET Axp 63 ? 9.944 12.949 18.625 0.00 0 290 A
|
||||
ATOM 147 C CZ ? TYR Axp 26 ? 23.727 15.310 16.576 0.00 0 253 A
|
||||
ATOM 146 C CE2 ? TYR Axp 26 ? 22.849 16.098 17.286 0.00 0 253 A
|
||||
ATOM 626 C CA ? PHE Axp 90 ? 18.655 7.862 11.634 0.00 0 317 A
|
||||
ATOM 145 C CE1 ? TYR Axp 26 ? 24.215 14.118 17.108 0.00 0 253 A
|
||||
ATOM 148 O OH ? TYR Axp 26 ? 24.138 15.654 15.314 0.00 0 253 A
|
||||
#
|
||||
|
||||
@@ -17,89 +17,89 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 112 C CB ? LEU Axp 21 ? 24.055 9.763 18.043 0.00 0 248 A
|
||||
ATOM 113 C CG ? LEU Axp 21 ? 23.240 8.692 17.348 0.00 0 248 A
|
||||
ATOM 114 C CD1 ? LEU Axp 21 ? 21.873 9.215 17.198 0.00 0 248 A
|
||||
ATOM 115 C CD2 ? LEU Axp 21 ? 23.833 8.296 15.998 0.00 0 248 A
|
||||
ATOM 141 C CB ? TYR Axp 26 ? 22.492 14.042 20.472 0.00 0 253 A
|
||||
ATOM 142 C CG ? TYR Axp 26 ? 22.920 14.495 19.114 0.00 0 253 A
|
||||
ATOM 143 C CD1 ? TYR Axp 26 ? 23.817 13.724 18.368 0.00 0 253 A
|
||||
ATOM 144 C CD2 ? TYR Axp 26 ? 22.432 15.684 18.553 0.00 0 253 A
|
||||
ATOM 145 C CE1 ? TYR Axp 26 ? 24.215 14.118 17.108 0.00 0 253 A
|
||||
ATOM 146 C CE2 ? TYR Axp 26 ? 22.849 16.098 17.286 0.00 0 253 A
|
||||
ATOM 147 C CZ ? TYR Axp 26 ? 23.727 15.310 16.576 0.00 0 253 A
|
||||
ATOM 148 O OH ? TYR Axp 26 ? 24.138 15.654 15.314 0.00 0 253 A
|
||||
ATOM 166 C CB ? VAL Axp 29 ? 20.398 10.704 21.467 0.00 0 256 A
|
||||
ATOM 167 C CG1 ? VAL Axp 29 ? 19.966 10.181 20.110 0.00 0 256 A
|
||||
ATOM 168 C CG2 ? VAL Axp 29 ? 19.367 11.656 22.003 0.00 0 256 A
|
||||
ATOM 274 C CA ? ALA Axp 42 ? 18.252 6.875 17.017 0.00 0 269 A
|
||||
ATOM 275 C C ? ALA Axp 42 ? 17.278 6.695 18.166 0.00 0 269 A
|
||||
ATOM 276 O O ? ALA Axp 42 ? 16.055 6.718 17.984 0.00 0 269 A
|
||||
ATOM 277 C CB ? ALA Axp 42 ? 18.427 8.356 16.648 0.00 0 269 A
|
||||
ATOM 278 N N ? VAL Axp 43 ? 17.813 6.508 19.358 0.00 0 270 A
|
||||
ATOM 279 C CA ? VAL Axp 43 ? 16.960 6.261 20.500 0.00 0 270 A
|
||||
ATOM 280 C C ? VAL Axp 43 ? 17.285 7.240 21.606 0.00 0 270 A
|
||||
ATOM 285 N N ? LYS Axp 44 ? 16.361 8.149 21.868 0.00 0 271 A
|
||||
ATOM 286 C CA ? LYS Axp 44 ? 16.520 9.043 22.990 0.00 0 271 A
|
||||
ATOM 289 C CB ? LYS Axp 44 ? 15.797 10.372 22.745 0.00 0 271 A
|
||||
ATOM 290 C CG ? LYS Axp 44 ? 16.202 11.480 23.715 0.00 0 271 A
|
||||
ATOM 291 C CD ? LYS Axp 44 ? 15.360 12.719 23.545 0.00 0 271 A
|
||||
ATOM 292 C CE ? LYS Axp 44 ? 15.812 13.774 24.522 0.00 0 271 A
|
||||
ATOM 293 N NZ ? LYS Axp 44 ? 14.875 14.916 24.640 -1.51 0 271 A
|
||||
ATOM 398 C CD ? GLU Axp 59 ? 11.441 15.015 22.886 0.00 0 286 A
|
||||
ATOM 400 O OE2 ? GLU Axp 59 ? 12.114 15.014 21.842 -1.07 0 286 A
|
||||
ATOM 424 S SD ? MET Axp 63 ? 9.944 12.949 18.625 0.00 0 290 A
|
||||
ATOM 425 C CE ? MET Axp 63 ? 9.782 13.413 20.304 0.00 0 290 A
|
||||
ATOM 494 C CB ? VAL Axp 72 ? 13.664 14.044 12.680 0.00 0 299 A
|
||||
ATOM 495 C CG1 ? VAL Axp 72 ? 13.165 14.244 14.057 0.00 0 299 A
|
||||
ATOM 496 C CG2 ? VAL Axp 72 ? 14.534 12.825 12.627 0.00 0 299 A
|
||||
ATOM 595 C C ? ILE Axp 86 ? 12.705 7.285 20.707 0.00 0 313 A
|
||||
ATOM 596 O O ? ILE Axp 86 ? 13.924 7.488 20.783 0.00 0 313 A
|
||||
ATOM 597 C CB ? ILE Axp 86 ? 11.520 9.110 21.913 0.00 0 313 A
|
||||
ATOM 599 C CG2 ? ILE Axp 86 ? 11.085 9.599 20.540 0.00 0 313 A
|
||||
ATOM 600 C CD1 ? ILE Axp 86 ? 10.312 10.938 23.169 0.00 0 313 A
|
||||
ATOM 601 N N ? ILE Axp 87 ? 12.096 6.808 19.622 0.00 0 314 A
|
||||
ATOM 609 N N ? THR Axp 88 ? 13.500 7.406 16.518 0.00 0 315 A
|
||||
ATOM 613 C CB ? THR Axp 88 ? 13.498 9.509 15.116 0.00 0 315 A
|
||||
ATOM 614 O OG1 ? THR Axp 88 ? 14.889 9.816 15.321 0.00 0 315 A
|
||||
ATOM 615 C CG2 ? THR Axp 88 ? 12.570 10.243 16.121 0.00 0 315 A
|
||||
ATOM 618 C C ? GLU Axp 89 ? 16.298 7.964 12.091 0.00 0 316 A
|
||||
ATOM 619 O O ? GLU Axp 89 ? 16.473 8.836 12.965 0.00 0 316 A
|
||||
ATOM 625 N N ? PHE Axp 90 ? 17.295 7.449 11.399 0.00 0 317 A
|
||||
ATOM 626 C CA ? PHE Axp 90 ? 18.655 7.862 11.634 0.00 0 317 A
|
||||
ATOM 627 C C ? PHE Axp 90 ? 19.062 8.474 10.325 0.00 0 317 A
|
||||
ATOM 629 C CB ? PHE Axp 90 ? 19.551 6.670 11.999 0.00 0 317 A
|
||||
ATOM 630 C CG ? PHE Axp 90 ? 21.036 6.909 11.749 0.00 0 317 A
|
||||
ATOM 631 C CD1 ? PHE Axp 90 ? 21.864 7.388 12.762 0.00 0 317 A
|
||||
ATOM 633 C CE1 ? PHE Axp 90 ? 23.219 7.620 12.523 0.00 0 317 A
|
||||
ATOM 635 C CZ ? PHE Axp 90 ? 23.754 7.359 11.279 0.00 0 317 A
|
||||
ATOM 636 N N ? MET Axp 91 ? 19.652 9.668 10.399 0.00 0 318 A
|
||||
ATOM 637 C CA ? MET Axp 91 ? 20.028 10.404 9.180 0.00 0 318 A
|
||||
ATOM 638 C C ? MET Axp 91 ? 21.520 10.344 8.900 0.00 0 318 A
|
||||
ATOM 639 O O ? MET Axp 91 ? 22.317 10.826 9.705 0.00 0 318 A
|
||||
ATOM 640 C CB ? MET Axp 91 ? 19.450 11.818 9.212 0.00 0 318 A
|
||||
ATOM 663 N N ? GLY Axp 94 ? 24.175 13.288 9.414 0.00 0 321 A
|
||||
ATOM 664 C CA ? GLY Axp 94 ? 24.159 13.940 10.732 0.00 0 321 A
|
||||
ATOM 665 C C ? GLY Axp 94 ? 23.592 15.331 10.711 0.00 0 321 A
|
||||
ATOM 667 N N ? ASN Axp 95 ? 23.996 16.143 11.694 0.00 0 322 A
|
||||
ATOM 1060 C CG ? LEU Axp 143 ? 19.098 15.122 12.103 0.00 0 370 A
|
||||
ATOM 1061 C CD1 ? LEU Axp 143 ? 18.015 14.074 12.608 0.00 0 370 A
|
||||
ATOM 1062 C CD2 ? LEU Axp 143 ? 20.456 14.781 12.716 0.00 0 370 A
|
||||
ATOM 1133 C CA ? ALA Axp 153 ? 14.382 18.205 14.396 0.00 0 380 A
|
||||
ATOM 1134 C C ? ALA Axp 153 ? 14.369 19.128 15.617 0.00 0 380 A
|
||||
ATOM 1136 C CB ? ALA Axp 153 ? 15.518 17.175 14.468 0.00 0 380 A
|
||||
ATOM 1137 N N ? ASP Axp 154 ? 14.471 18.582 16.816 0.00 0 381 A
|
||||
ATOM 1138 C CA ? ASP Axp 154 ? 14.609 19.369 18.029 0.00 0 381 A
|
||||
ATOM 1139 C C ? ASP Axp 154 ? 15.263 18.428 19.031 0.00 0 381 A
|
||||
ATOM 1140 O O ? ASP Axp 154 ? 14.624 17.507 19.553 -1.07 0 381 A
|
||||
ATOM 1145 N N ? PHE Axp 155 ? 16.530 18.658 19.336 0.00 0 382 A
|
||||
ATOM 1146 C CA ? PHE Axp 155 ? 17.270 17.690 20.146 0.00 0 382 A
|
||||
ATOM 1147 C C ? PHE Axp 155 ? 17.363 18.077 21.601 0.00 0 382 A
|
||||
ATOM 1148 O O ? PHE Axp 155 ? 18.053 17.370 22.341 -5.36 0 382 A
|
||||
ATOM 1149 C CB ? PHE Axp 155 ? 18.696 17.470 19.592 0.00 0 382 A
|
||||
ATOM 1150 C CG ? PHE Axp 155 ? 18.744 17.135 18.146 0.00 0 382 A
|
||||
ATOM 1152 C CD2 ? PHE Axp 155 ? 17.965 16.105 17.622 0.00 0 382 A
|
||||
ATOM 1153 C CE1 ? PHE Axp 155 ? 19.580 17.580 15.898 0.00 0 382 A
|
||||
ATOM 1154 C CE2 ? PHE Axp 155 ? 18.010 15.799 16.255 0.00 0 382 A
|
||||
ATOM 1155 C CZ ? PHE Axp 155 ? 18.817 16.558 15.384 0.00 0 382 A
|
||||
ATOM 112 C CB ? LEU Axp 21 ? 24.055 9.763 18.043 0.00 0 248 A
|
||||
ATOM 113 C CG ? LEU Axp 21 ? 23.240 8.692 17.348 0.00 0 248 A
|
||||
ATOM 114 C CD1 ? LEU Axp 21 ? 21.873 9.215 17.198 0.00 0 248 A
|
||||
ATOM 115 C CD2 ? LEU Axp 21 ? 23.833 8.296 15.998 0.00 0 248 A
|
||||
ATOM 141 C CB ? TYR Axp 26 ? 22.492 14.042 20.472 0.00 0 253 A
|
||||
ATOM 142 C CG ? TYR Axp 26 ? 22.920 14.495 19.114 0.00 0 253 A
|
||||
ATOM 143 C CD1 ? TYR Axp 26 ? 23.817 13.724 18.368 0.00 0 253 A
|
||||
ATOM 144 C CD2 ? TYR Axp 26 ? 22.432 15.684 18.553 0.00 0 253 A
|
||||
ATOM 145 C CE1 ? TYR Axp 26 ? 24.215 14.118 17.108 0.00 0 253 A
|
||||
ATOM 146 C CE2 ? TYR Axp 26 ? 22.849 16.098 17.286 0.00 0 253 A
|
||||
ATOM 147 C CZ ? TYR Axp 26 ? 23.727 15.310 16.576 0.00 0 253 A
|
||||
ATOM 148 O OH ? TYR Axp 26 ? 24.138 15.654 15.314 0.00 0 253 A
|
||||
ATOM 166 C CB ? VAL Axp 29 ? 20.398 10.704 21.467 0.00 0 256 A
|
||||
ATOM 167 C CG1 ? VAL Axp 29 ? 19.966 10.181 20.110 0.00 0 256 A
|
||||
ATOM 168 C CG2 ? VAL Axp 29 ? 19.367 11.656 22.003 0.00 0 256 A
|
||||
ATOM 274 C CA ? ALA Axp 42 ? 18.252 6.875 17.017 0.00 0 269 A
|
||||
ATOM 275 C C ? ALA Axp 42 ? 17.278 6.695 18.166 0.00 0 269 A
|
||||
ATOM 276 O O ? ALA Axp 42 ? 16.055 6.718 17.984 0.00 0 269 A
|
||||
ATOM 277 C CB ? ALA Axp 42 ? 18.427 8.356 16.648 0.00 0 269 A
|
||||
ATOM 278 N N ? VAL Axp 43 ? 17.813 6.508 19.358 0.00 0 270 A
|
||||
ATOM 279 C CA ? VAL Axp 43 ? 16.960 6.261 20.500 0.00 0 270 A
|
||||
ATOM 280 C C ? VAL Axp 43 ? 17.285 7.240 21.606 0.00 0 270 A
|
||||
ATOM 285 N N ? LYS Axp 44 ? 16.361 8.149 21.868 0.00 0 271 A
|
||||
ATOM 286 C CA ? LYS Axp 44 ? 16.520 9.043 22.990 0.00 0 271 A
|
||||
ATOM 289 C CB ? LYS Axp 44 ? 15.797 10.372 22.745 0.00 0 271 A
|
||||
ATOM 290 C CG ? LYS Axp 44 ? 16.202 11.480 23.715 0.00 0 271 A
|
||||
ATOM 291 C CD ? LYS Axp 44 ? 15.360 12.719 23.545 0.00 0 271 A
|
||||
ATOM 292 C CE ? LYS Axp 44 ? 15.812 13.774 24.522 0.00 0 271 A
|
||||
ATOM 293 N NZ ? LYS Axp 44 ? 14.875 14.916 24.640 -1.51 0 271 A
|
||||
ATOM 398 C CD ? GLU Axp 59 ? 11.441 15.015 22.886 0.00 0 286 A
|
||||
ATOM 400 O OE2 ? GLU Axp 59 ? 12.114 15.014 21.842 -1.07 0 286 A
|
||||
ATOM 424 S SD ? MET Axp 63 ? 9.944 12.949 18.625 0.00 0 290 A
|
||||
ATOM 425 C CE ? MET Axp 63 ? 9.782 13.413 20.304 0.00 0 290 A
|
||||
ATOM 494 C CB ? VAL Axp 72 ? 13.664 14.044 12.680 0.00 0 299 A
|
||||
ATOM 495 C CG1 ? VAL Axp 72 ? 13.165 14.244 14.057 0.00 0 299 A
|
||||
ATOM 496 C CG2 ? VAL Axp 72 ? 14.534 12.825 12.627 0.00 0 299 A
|
||||
ATOM 595 C C ? ILE Axp 86 ? 12.705 7.285 20.707 0.00 0 313 A
|
||||
ATOM 596 O O ? ILE Axp 86 ? 13.924 7.488 20.783 0.00 0 313 A
|
||||
ATOM 597 C CB ? ILE Axp 86 ? 11.520 9.110 21.913 0.00 0 313 A
|
||||
ATOM 599 C CG2 ? ILE Axp 86 ? 11.085 9.599 20.540 0.00 0 313 A
|
||||
ATOM 600 C CD1 ? ILE Axp 86 ? 10.312 10.938 23.169 0.00 0 313 A
|
||||
ATOM 601 N N ? ILE Axp 87 ? 12.096 6.808 19.622 0.00 0 314 A
|
||||
ATOM 609 N N ? THR Axp 88 ? 13.500 7.406 16.518 0.00 0 315 A
|
||||
ATOM 613 C CB ? THR Axp 88 ? 13.498 9.509 15.116 0.00 0 315 A
|
||||
ATOM 614 O OG1 ? THR Axp 88 ? 14.889 9.816 15.321 0.00 0 315 A
|
||||
ATOM 615 C CG2 ? THR Axp 88 ? 12.570 10.243 16.121 0.00 0 315 A
|
||||
ATOM 618 C C ? GLU Axp 89 ? 16.298 7.964 12.091 0.00 0 316 A
|
||||
ATOM 619 O O ? GLU Axp 89 ? 16.473 8.836 12.965 0.00 0 316 A
|
||||
ATOM 625 N N ? PHE Axp 90 ? 17.295 7.449 11.399 0.00 0 317 A
|
||||
ATOM 626 C CA ? PHE Axp 90 ? 18.655 7.862 11.634 0.00 0 317 A
|
||||
ATOM 627 C C ? PHE Axp 90 ? 19.062 8.474 10.325 0.00 0 317 A
|
||||
ATOM 629 C CB ? PHE Axp 90 ? 19.551 6.670 11.999 0.00 0 317 A
|
||||
ATOM 630 C CG ? PHE Axp 90 ? 21.036 6.909 11.749 0.00 0 317 A
|
||||
ATOM 631 C CD1 ? PHE Axp 90 ? 21.864 7.388 12.762 0.00 0 317 A
|
||||
ATOM 633 C CE1 ? PHE Axp 90 ? 23.219 7.620 12.523 0.00 0 317 A
|
||||
ATOM 635 C CZ ? PHE Axp 90 ? 23.754 7.359 11.279 0.00 0 317 A
|
||||
ATOM 636 N N ? MET Axp 91 ? 19.652 9.668 10.399 0.00 0 318 A
|
||||
ATOM 637 C CA ? MET Axp 91 ? 20.028 10.404 9.180 0.00 0 318 A
|
||||
ATOM 638 C C ? MET Axp 91 ? 21.520 10.344 8.900 0.00 0 318 A
|
||||
ATOM 639 O O ? MET Axp 91 ? 22.317 10.826 9.705 0.00 0 318 A
|
||||
ATOM 640 C CB ? MET Axp 91 ? 19.450 11.818 9.212 0.00 0 318 A
|
||||
ATOM 663 N N ? GLY Axp 94 ? 24.175 13.288 9.414 0.00 0 321 A
|
||||
ATOM 664 C CA ? GLY Axp 94 ? 24.159 13.940 10.732 0.00 0 321 A
|
||||
ATOM 665 C C ? GLY Axp 94 ? 23.592 15.331 10.711 0.00 0 321 A
|
||||
ATOM 667 N N ? ASN Axp 95 ? 23.996 16.143 11.694 0.00 0 322 A
|
||||
ATOM 1060 C CG ? LEU Axp 143 ? 19.098 15.122 12.103 0.00 0 370 A
|
||||
ATOM 1061 C CD1 ? LEU Axp 143 ? 18.015 14.074 12.608 0.00 0 370 A
|
||||
ATOM 1062 C CD2 ? LEU Axp 143 ? 20.456 14.781 12.716 0.00 0 370 A
|
||||
ATOM 1133 C CA ? ALA Axp 153 ? 14.382 18.205 14.396 0.00 0 380 A
|
||||
ATOM 1134 C C ? ALA Axp 153 ? 14.369 19.128 15.617 0.00 0 380 A
|
||||
ATOM 1136 C CB ? ALA Axp 153 ? 15.518 17.175 14.468 0.00 0 380 A
|
||||
ATOM 1137 N N ? ASP Axp 154 ? 14.471 18.582 16.816 0.00 0 381 A
|
||||
ATOM 1138 C CA ? ASP Axp 154 ? 14.609 19.369 18.029 0.00 0 381 A
|
||||
ATOM 1139 C C ? ASP Axp 154 ? 15.263 18.428 19.031 0.00 0 381 A
|
||||
ATOM 1140 O O ? ASP Axp 154 ? 14.624 17.507 19.553 -1.07 0 381 A
|
||||
ATOM 1145 N N ? PHE Axp 155 ? 16.530 18.658 19.336 0.00 0 382 A
|
||||
ATOM 1146 C CA ? PHE Axp 155 ? 17.270 17.690 20.146 0.00 0 382 A
|
||||
ATOM 1147 C C ? PHE Axp 155 ? 17.363 18.077 21.601 0.00 0 382 A
|
||||
ATOM 1148 O O ? PHE Axp 155 ? 18.053 17.370 22.341 -5.36 0 382 A
|
||||
ATOM 1149 C CB ? PHE Axp 155 ? 18.696 17.470 19.592 0.00 0 382 A
|
||||
ATOM 1150 C CG ? PHE Axp 155 ? 18.744 17.135 18.146 0.00 0 382 A
|
||||
ATOM 1152 C CD2 ? PHE Axp 155 ? 17.965 16.105 17.622 0.00 0 382 A
|
||||
ATOM 1153 C CE1 ? PHE Axp 155 ? 19.580 17.580 15.898 0.00 0 382 A
|
||||
ATOM 1154 C CE2 ? PHE Axp 155 ? 18.010 15.799 16.255 0.00 0 382 A
|
||||
ATOM 1155 C CZ ? PHE Axp 155 ? 18.817 16.558 15.384 0.00 0 382 A
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 40:
|
||||
6 - Hydrophobicity Score : 6.6364
|
||||
7 - Polarity Score : 7
|
||||
8 - Amino Acid based volume Score : 4.3636
|
||||
9 - Pocket volume (Monte Carlo) : 328.6283
|
||||
9 - Pocket volume (Monte Carlo) : 325.1062
|
||||
10 -Pocket volume (convex hull) : 21.7243
|
||||
11 - Charge Score : 1
|
||||
12 - Local hydrophobic density Score : 2.0000
|
||||
@@ -39,22 +39,22 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 997 C CB ? ARG Axp 135 ? 10.850 26.919 20.881 0.00 0 362 A
|
||||
ATOM 1173 O OG ? SER Axp 158 ? 17.408 24.103 25.862 0.00 0 385 A
|
||||
ATOM 1144 O OD2 ? ASP Axp 154 ? 12.266 21.130 20.251 0.00 0 381 A
|
||||
ATOM 1008 C CB ? ASP Axp 136 ? 15.490 25.673 19.755 0.00 0 363 A
|
||||
ATOM 1143 O OD1 ? ASP Axp 154 ? 14.412 20.900 20.316 -3.21 0 381 A
|
||||
ATOM 1011 O OD2 ? ASP Axp 136 ? 17.473 24.795 20.573 -3.21 0 363 A
|
||||
ATOM 996 O O ? ARG Axp 135 ? 13.454 28.096 20.320 -4.69 0 362 A
|
||||
ATOM 1009 C CG ? ASP Axp 136 ? 16.996 25.759 19.996 0.00 0 363 A
|
||||
ATOM 1225 C CE2 ? TYR Axp 166 ? 19.835 26.613 22.723 0.00 0 393 A
|
||||
ATOM 1282 C CE2 ? PHE Axp 174 ? 14.196 30.378 26.256 0.00 0 401 A
|
||||
ATOM 1002 N NH1 ? ARG Axp 135 ? 9.413 28.531 25.244 0.00 0 362 A
|
||||
ATOM 1407 C CE2 ? PHE Axp 189 ? 11.966 31.656 22.739 0.00 0 416 A
|
||||
ATOM 1157 C CA ? GLY Axp 156 ? 16.836 19.696 23.400 0.00 0 383 A
|
||||
ATOM 1267 O O ? LYS Axp 173 ? 17.695 28.402 26.529 -4.29 0 400 A
|
||||
ATOM 1290 C CD ? PRO Axp 175 ? 18.295 29.738 22.438 0.00 0 402 A
|
||||
ATOM 1280 C CD2 ? PHE Axp 174 ? 15.409 30.643 25.623 0.00 0 401 A
|
||||
ATOM 999 C CD ? ARG Axp 135 ? 9.417 27.165 22.794 0.00 0 362 A
|
||||
ATOM 986 O O ? HIS Axp 134 ? 10.426 24.693 19.439 0.00 0 361 A
|
||||
ATOM 997 C CB ? ARG Axp 135 ? 10.850 26.919 20.881 0.00 0 362 A
|
||||
ATOM 1173 O OG ? SER Axp 158 ? 17.408 24.103 25.862 0.00 0 385 A
|
||||
ATOM 1144 O OD2 ? ASP Axp 154 ? 12.266 21.130 20.251 0.00 0 381 A
|
||||
ATOM 1008 C CB ? ASP Axp 136 ? 15.490 25.673 19.755 0.00 0 363 A
|
||||
ATOM 1143 O OD1 ? ASP Axp 154 ? 14.412 20.900 20.316 -3.21 0 381 A
|
||||
ATOM 1011 O OD2 ? ASP Axp 136 ? 17.473 24.795 20.573 -3.21 0 363 A
|
||||
ATOM 996 O O ? ARG Axp 135 ? 13.454 28.096 20.320 -4.69 0 362 A
|
||||
ATOM 1009 C CG ? ASP Axp 136 ? 16.996 25.759 19.996 0.00 0 363 A
|
||||
ATOM 1225 C CE2 ? TYR Axp 166 ? 19.835 26.613 22.723 0.00 0 393 A
|
||||
ATOM 1282 C CE2 ? PHE Axp 174 ? 14.196 30.378 26.256 0.00 0 401 A
|
||||
ATOM 1002 N NH1 ? ARG Axp 135 ? 9.413 28.531 25.244 0.00 0 362 A
|
||||
ATOM 1407 C CE2 ? PHE Axp 189 ? 11.966 31.656 22.739 0.00 0 416 A
|
||||
ATOM 1157 C CA ? GLY Axp 156 ? 16.836 19.696 23.400 0.00 0 383 A
|
||||
ATOM 1267 O O ? LYS Axp 173 ? 17.695 28.402 26.529 -4.29 0 400 A
|
||||
ATOM 1290 C CD ? PRO Axp 175 ? 18.295 29.738 22.438 0.00 0 402 A
|
||||
ATOM 1280 C CD2 ? PHE Axp 174 ? 15.409 30.643 25.623 0.00 0 401 A
|
||||
ATOM 999 C CD ? ARG Axp 135 ? 9.417 27.165 22.794 0.00 0 362 A
|
||||
ATOM 986 O O ? HIS Axp 134 ? 10.426 24.693 19.439 0.00 0 361 A
|
||||
#
|
||||
|
||||
@@ -17,43 +17,43 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 985 C C ? HIS Axp 134 ? 10.215 25.450 18.462 0.00 0 361 A
|
||||
ATOM 986 O O ? HIS Axp 134 ? 10.426 24.693 19.439 0.00 0 361 A
|
||||
ATOM 994 C CA ? ARG Axp 135 ? 11.309 27.407 19.509 0.00 0 362 A
|
||||
ATOM 995 C C ? ARG Axp 135 ? 12.856 27.406 19.519 0.00 0 362 A
|
||||
ATOM 996 O O ? ARG Axp 135 ? 13.454 28.096 20.320 -4.69 0 362 A
|
||||
ATOM 997 C CB ? ARG Axp 135 ? 10.850 26.919 20.881 0.00 0 362 A
|
||||
ATOM 998 C CG ? ARG Axp 135 ? 9.488 27.328 21.305 0.00 0 362 A
|
||||
ATOM 999 C CD ? ARG Axp 135 ? 9.417 27.165 22.794 0.00 0 362 A
|
||||
ATOM 1000 N NE ? ARG Axp 135 ? 8.303 27.928 23.296 0.00 0 362 A
|
||||
ATOM 1001 C CZ ? ARG Axp 135 ? 8.312 28.577 24.461 0.00 0 362 A
|
||||
ATOM 1002 N NH1 ? ARG Axp 135 ? 9.413 28.531 25.244 0.00 0 362 A
|
||||
ATOM 1004 N N ? ASP Axp 136 ? 13.515 26.641 18.666 0.00 0 363 A
|
||||
ATOM 1005 C CA ? ASP Axp 136 ? 14.988 26.627 18.681 0.00 0 363 A
|
||||
ATOM 1008 C CB ? ASP Axp 136 ? 15.490 25.673 19.755 0.00 0 363 A
|
||||
ATOM 1009 C CG ? ASP Axp 136 ? 16.996 25.759 19.996 0.00 0 363 A
|
||||
ATOM 1010 O OD1 ? ASP Axp 136 ? 17.712 26.739 19.639 0.00 0 363 A
|
||||
ATOM 1011 O OD2 ? ASP Axp 136 ? 17.473 24.795 20.573 -3.21 0 363 A
|
||||
ATOM 1142 C CG ? ASP Axp 154 ? 13.312 20.654 19.796 0.00 0 381 A
|
||||
ATOM 1143 O OD1 ? ASP Axp 154 ? 14.412 20.900 20.316 -3.21 0 381 A
|
||||
ATOM 1144 O OD2 ? ASP Axp 154 ? 12.266 21.130 20.251 0.00 0 381 A
|
||||
ATOM 1156 N N ? GLY Axp 156 ? 16.756 19.212 22.006 0.00 0 383 A
|
||||
ATOM 1157 C CA ? GLY Axp 156 ? 16.836 19.696 23.400 0.00 0 383 A
|
||||
ATOM 1158 C C ? GLY Axp 156 ? 18.242 20.116 23.792 0.00 0 383 A
|
||||
ATOM 1160 N N ? LEU Axp 157 ? 18.840 20.972 22.985 0.00 0 384 A
|
||||
ATOM 1168 N N ? SER Axp 158 ? 19.659 23.170 24.727 0.00 0 385 A
|
||||
ATOM 1172 C CB ? SER Axp 158 ? 18.551 24.447 26.597 0.00 0 385 A
|
||||
ATOM 1173 O OG ? SER Axp 158 ? 17.408 24.103 25.862 0.00 0 385 A
|
||||
ATOM 1223 C CD2 ? TYR Axp 166 ? 20.443 27.304 23.753 0.00 0 393 A
|
||||
ATOM 1225 C CE2 ? TYR Axp 166 ? 19.835 26.613 22.723 0.00 0 393 A
|
||||
ATOM 1226 C CZ ? TYR Axp 166 ? 20.532 25.586 22.059 0.00 0 393 A
|
||||
ATOM 1267 O O ? LYS Axp 173 ? 17.695 28.402 26.529 -4.29 0 400 A
|
||||
ATOM 1274 C CA ? PHE Axp 174 ? 18.362 30.713 25.191 0.00 0 401 A
|
||||
ATOM 1280 C CD2 ? PHE Axp 174 ? 15.409 30.643 25.623 0.00 0 401 A
|
||||
ATOM 1282 C CE2 ? PHE Axp 174 ? 14.196 30.378 26.256 0.00 0 401 A
|
||||
ATOM 1289 C CG ? PRO Axp 175 ? 18.737 29.443 21.033 0.00 0 402 A
|
||||
ATOM 1290 C CD ? PRO Axp 175 ? 18.295 29.738 22.438 0.00 0 402 A
|
||||
ATOM 1405 C CD2 ? PHE Axp 189 ? 10.703 31.452 22.157 0.00 0 416 A
|
||||
ATOM 1407 C CE2 ? PHE Axp 189 ? 11.966 31.656 22.739 0.00 0 416 A
|
||||
ATOM 1408 C CZ ? PHE Axp 189 ? 12.053 32.229 24.016 0.00 0 416 A
|
||||
ATOM 985 C C ? HIS Axp 134 ? 10.215 25.450 18.462 0.00 0 361 A
|
||||
ATOM 986 O O ? HIS Axp 134 ? 10.426 24.693 19.439 0.00 0 361 A
|
||||
ATOM 994 C CA ? ARG Axp 135 ? 11.309 27.407 19.509 0.00 0 362 A
|
||||
ATOM 995 C C ? ARG Axp 135 ? 12.856 27.406 19.519 0.00 0 362 A
|
||||
ATOM 996 O O ? ARG Axp 135 ? 13.454 28.096 20.320 -4.69 0 362 A
|
||||
ATOM 997 C CB ? ARG Axp 135 ? 10.850 26.919 20.881 0.00 0 362 A
|
||||
ATOM 998 C CG ? ARG Axp 135 ? 9.488 27.328 21.305 0.00 0 362 A
|
||||
ATOM 999 C CD ? ARG Axp 135 ? 9.417 27.165 22.794 0.00 0 362 A
|
||||
ATOM 1000 N NE ? ARG Axp 135 ? 8.303 27.928 23.296 0.00 0 362 A
|
||||
ATOM 1001 C CZ ? ARG Axp 135 ? 8.312 28.577 24.461 0.00 0 362 A
|
||||
ATOM 1002 N NH1 ? ARG Axp 135 ? 9.413 28.531 25.244 0.00 0 362 A
|
||||
ATOM 1004 N N ? ASP Axp 136 ? 13.515 26.641 18.666 0.00 0 363 A
|
||||
ATOM 1005 C CA ? ASP Axp 136 ? 14.988 26.627 18.681 0.00 0 363 A
|
||||
ATOM 1008 C CB ? ASP Axp 136 ? 15.490 25.673 19.755 0.00 0 363 A
|
||||
ATOM 1009 C CG ? ASP Axp 136 ? 16.996 25.759 19.996 0.00 0 363 A
|
||||
ATOM 1010 O OD1 ? ASP Axp 136 ? 17.712 26.739 19.639 0.00 0 363 A
|
||||
ATOM 1011 O OD2 ? ASP Axp 136 ? 17.473 24.795 20.573 -3.21 0 363 A
|
||||
ATOM 1142 C CG ? ASP Axp 154 ? 13.312 20.654 19.796 0.00 0 381 A
|
||||
ATOM 1143 O OD1 ? ASP Axp 154 ? 14.412 20.900 20.316 -3.21 0 381 A
|
||||
ATOM 1144 O OD2 ? ASP Axp 154 ? 12.266 21.130 20.251 0.00 0 381 A
|
||||
ATOM 1156 N N ? GLY Axp 156 ? 16.756 19.212 22.006 0.00 0 383 A
|
||||
ATOM 1157 C CA ? GLY Axp 156 ? 16.836 19.696 23.400 0.00 0 383 A
|
||||
ATOM 1158 C C ? GLY Axp 156 ? 18.242 20.116 23.792 0.00 0 383 A
|
||||
ATOM 1160 N N ? LEU Axp 157 ? 18.840 20.972 22.985 0.00 0 384 A
|
||||
ATOM 1168 N N ? SER Axp 158 ? 19.659 23.170 24.727 0.00 0 385 A
|
||||
ATOM 1172 C CB ? SER Axp 158 ? 18.551 24.447 26.597 0.00 0 385 A
|
||||
ATOM 1173 O OG ? SER Axp 158 ? 17.408 24.103 25.862 0.00 0 385 A
|
||||
ATOM 1223 C CD2 ? TYR Axp 166 ? 20.443 27.304 23.753 0.00 0 393 A
|
||||
ATOM 1225 C CE2 ? TYR Axp 166 ? 19.835 26.613 22.723 0.00 0 393 A
|
||||
ATOM 1226 C CZ ? TYR Axp 166 ? 20.532 25.586 22.059 0.00 0 393 A
|
||||
ATOM 1267 O O ? LYS Axp 173 ? 17.695 28.402 26.529 -4.29 0 400 A
|
||||
ATOM 1274 C CA ? PHE Axp 174 ? 18.362 30.713 25.191 0.00 0 401 A
|
||||
ATOM 1280 C CD2 ? PHE Axp 174 ? 15.409 30.643 25.623 0.00 0 401 A
|
||||
ATOM 1282 C CE2 ? PHE Axp 174 ? 14.196 30.378 26.256 0.00 0 401 A
|
||||
ATOM 1289 C CG ? PRO Axp 175 ? 18.737 29.443 21.033 0.00 0 402 A
|
||||
ATOM 1290 C CD ? PRO Axp 175 ? 18.295 29.738 22.438 0.00 0 402 A
|
||||
ATOM 1405 C CD2 ? PHE Axp 189 ? 10.703 31.452 22.157 0.00 0 416 A
|
||||
ATOM 1407 C CE2 ? PHE Axp 189 ? 11.966 31.656 22.739 0.00 0 416 A
|
||||
ATOM 1408 C CZ ? PHE Axp 189 ? 12.053 32.229 24.016 0.00 0 416 A
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 41:
|
||||
6 - Hydrophobicity Score : 34.9091
|
||||
7 - Polarity Score : 6
|
||||
8 - Amino Acid based volume Score : 4.5455
|
||||
9 - Pocket volume (Monte Carlo) : 334.1969
|
||||
9 - Pocket volume (Monte Carlo) : 331.4144
|
||||
10 -Pocket volume (convex hull) : 26.2709
|
||||
11 - Charge Score : 1
|
||||
12 - Local hydrophobic density Score : 5.0000
|
||||
@@ -39,27 +39,27 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 3468 O O ? ALA Bxp 185 ? 11.091 35.559 32.996 -1.48 0 412 B
|
||||
ATOM 1283 C CZ ? PHE Axp 174 ? 13.758 31.239 27.249 0.00 0 401 A
|
||||
ATOM 1246 N ND1 ? HIS Axp 169 ? 14.891 34.244 30.609 0.00 0 396 A
|
||||
ATOM 1263 C CB ? ALA Axp 172 ? 15.072 29.176 30.433 0.00 0 399 A
|
||||
ATOM 1386 C CG ? ASN Axp 187 ? 10.553 36.098 29.143 0.00 0 414 A
|
||||
ATOM 1385 C CB ? ASN Axp 187 ? 9.428 35.556 28.277 0.00 0 414 A
|
||||
ATOM 3479 C CE2 ? TYR Bxp 186 ? 8.057 32.973 34.745 0.00 0 413 B
|
||||
ATOM 3477 C CD2 ? TYR Bxp 186 ? 7.993 34.321 34.340 0.00 0 413 B
|
||||
ATOM 1002 N NH1 ? ARG Axp 135 ? 9.413 28.531 25.244 0.00 0 362 A
|
||||
ATOM 1406 C CE1 ? PHE Axp 189 ? 10.863 32.584 24.721 0.00 0 416 A
|
||||
ATOM 1404 C CD1 ? PHE Axp 189 ? 9.607 32.353 24.110 0.00 0 416 A
|
||||
ATOM 1384 O O ? ASN Axp 187 ? 7.917 34.355 26.156 0.00 0 414 A
|
||||
ATOM 1243 O O ? HIS Axp 169 ? 16.336 32.072 31.842 0.00 0 396 A
|
||||
ATOM 1253 O O ? ALA Axp 170 ? 14.997 30.833 34.207 -3.35 0 397 A
|
||||
ATOM 3469 C CB ? ALA Bxp 185 ? 11.719 34.122 35.988 0.00 0 412 B
|
||||
ATOM 3481 O OH ? TYR Bxp 186 ? 8.084 31.363 36.537 -4.02 0 413 B
|
||||
ATOM 3767 O OH ? TYR Bxp 222 ? 12.714 31.484 37.996 -5.36 0 449 B
|
||||
ATOM 3801 O OE2 ? GLU Bxp 226 ? 12.770 27.280 39.032 -3.35 0 453 B
|
||||
ATOM 3800 O OE1 ? GLU Bxp 226 ? 14.870 27.408 38.360 -0.81 0 453 B
|
||||
ATOM 1248 C CE1 ? HIS Axp 169 ? 14.000 35.208 30.775 0.00 0 396 A
|
||||
ATOM 1281 C CE1 ? PHE Axp 174 ? 14.531 32.366 27.594 0.00 0 401 A
|
||||
ATOM 1254 C CB ? ALA Axp 170 ? 15.038 33.564 34.528 0.00 0 397 A
|
||||
ATOM 1387 O OD1 ? ASN Axp 187 ? 11.727 35.895 28.835 -1.07 0 414 A
|
||||
ATOM 3468 O O ? ALA Bxp 185 ? 11.091 35.559 32.996 -1.48 0 412 B
|
||||
ATOM 1283 C CZ ? PHE Axp 174 ? 13.758 31.239 27.249 0.00 0 401 A
|
||||
ATOM 1246 N ND1 ? HIS Axp 169 ? 14.891 34.244 30.609 0.00 0 396 A
|
||||
ATOM 1263 C CB ? ALA Axp 172 ? 15.072 29.176 30.433 0.00 0 399 A
|
||||
ATOM 1386 C CG ? ASN Axp 187 ? 10.553 36.098 29.143 0.00 0 414 A
|
||||
ATOM 1385 C CB ? ASN Axp 187 ? 9.428 35.556 28.277 0.00 0 414 A
|
||||
ATOM 3479 C CE2 ? TYR Bxp 186 ? 8.057 32.973 34.745 0.00 0 413 B
|
||||
ATOM 3477 C CD2 ? TYR Bxp 186 ? 7.993 34.321 34.340 0.00 0 413 B
|
||||
ATOM 1002 N NH1 ? ARG Axp 135 ? 9.413 28.531 25.244 0.00 0 362 A
|
||||
ATOM 1406 C CE1 ? PHE Axp 189 ? 10.863 32.584 24.721 0.00 0 416 A
|
||||
ATOM 1404 C CD1 ? PHE Axp 189 ? 9.607 32.353 24.110 0.00 0 416 A
|
||||
ATOM 1384 O O ? ASN Axp 187 ? 7.917 34.355 26.156 0.00 0 414 A
|
||||
ATOM 1243 O O ? HIS Axp 169 ? 16.336 32.072 31.842 0.00 0 396 A
|
||||
ATOM 1253 O O ? ALA Axp 170 ? 14.997 30.833 34.207 -3.35 0 397 A
|
||||
ATOM 3469 C CB ? ALA Bxp 185 ? 11.719 34.122 35.988 0.00 0 412 B
|
||||
ATOM 3481 O OH ? TYR Bxp 186 ? 8.084 31.363 36.537 -4.02 0 413 B
|
||||
ATOM 3767 O OH ? TYR Bxp 222 ? 12.714 31.484 37.996 -5.36 0 449 B
|
||||
ATOM 3801 O OE2 ? GLU Bxp 226 ? 12.770 27.280 39.032 -3.35 0 453 B
|
||||
ATOM 3800 O OE1 ? GLU Bxp 226 ? 14.870 27.408 38.360 -0.81 0 453 B
|
||||
ATOM 1248 C CE1 ? HIS Axp 169 ? 14.000 35.208 30.775 0.00 0 396 A
|
||||
ATOM 1281 C CE1 ? PHE Axp 174 ? 14.531 32.366 27.594 0.00 0 401 A
|
||||
ATOM 1254 C CB ? ALA Axp 170 ? 15.038 33.564 34.528 0.00 0 397 A
|
||||
ATOM 1387 O OD1 ? ASN Axp 187 ? 11.727 35.895 28.835 -1.07 0 414 A
|
||||
#
|
||||
|
||||
@@ -17,44 +17,44 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 1001 C CZ ? ARG Axp 135 ? 8.312 28.577 24.461 0.00 0 362 A
|
||||
ATOM 1002 N NH1 ? ARG Axp 135 ? 9.413 28.531 25.244 0.00 0 362 A
|
||||
ATOM 1003 N NH2 ? ARG Axp 135 ? 7.226 29.265 24.836 0.00 0 362 A
|
||||
ATOM 1243 O O ? HIS Axp 169 ? 16.336 32.072 31.842 0.00 0 396 A
|
||||
ATOM 1246 N ND1 ? HIS Axp 169 ? 14.891 34.244 30.609 0.00 0 396 A
|
||||
ATOM 1248 C CE1 ? HIS Axp 169 ? 14.000 35.208 30.775 0.00 0 396 A
|
||||
ATOM 1251 C CA ? ALA Axp 170 ? 16.342 32.830 34.571 0.00 0 397 A
|
||||
ATOM 1252 C C ? ALA Axp 170 ? 16.105 31.311 34.539 0.00 0 397 A
|
||||
ATOM 1253 O O ? ALA Axp 170 ? 14.997 30.833 34.207 -3.35 0 397 A
|
||||
ATOM 1254 C CB ? ALA Axp 170 ? 15.038 33.564 34.528 0.00 0 397 A
|
||||
ATOM 1256 C CA ? GLY Axp 171 ? 17.074 29.084 34.902 0.00 0 398 A
|
||||
ATOM 1259 N N ? ALA Axp 172 ? 16.361 29.184 32.560 0.00 0 399 A
|
||||
ATOM 1263 C CB ? ALA Axp 172 ? 15.072 29.176 30.433 0.00 0 399 A
|
||||
ATOM 1281 C CE1 ? PHE Axp 174 ? 14.531 32.366 27.594 0.00 0 401 A
|
||||
ATOM 1282 C CE2 ? PHE Axp 174 ? 14.196 30.378 26.256 0.00 0 401 A
|
||||
ATOM 1283 C CZ ? PHE Axp 174 ? 13.758 31.239 27.249 0.00 0 401 A
|
||||
ATOM 1382 C CA ? ASN Axp 187 ? 9.608 35.946 26.808 0.00 0 414 A
|
||||
ATOM 1383 C C ? ASN Axp 187 ? 8.479 35.419 25.906 0.00 0 414 A
|
||||
ATOM 1384 O O ? ASN Axp 187 ? 7.917 34.355 26.156 0.00 0 414 A
|
||||
ATOM 1385 C CB ? ASN Axp 187 ? 9.428 35.556 28.277 0.00 0 414 A
|
||||
ATOM 1386 C CG ? ASN Axp 187 ? 10.553 36.098 29.143 0.00 0 414 A
|
||||
ATOM 1387 O OD1 ? ASN Axp 187 ? 11.727 35.895 28.835 -1.07 0 414 A
|
||||
ATOM 1388 N ND2 ? ASN Axp 187 ? 10.204 36.824 30.200 -2.19 0 414 A
|
||||
ATOM 1404 C CD1 ? PHE Axp 189 ? 9.607 32.353 24.110 0.00 0 416 A
|
||||
ATOM 1406 C CE1 ? PHE Axp 189 ? 10.863 32.584 24.721 0.00 0 416 A
|
||||
ATOM 1408 C CZ ? PHE Axp 189 ? 12.053 32.229 24.016 0.00 0 416 A
|
||||
ATOM 3466 C CA ? ALA Bxp 185 ? 12.204 35.328 35.131 0.00 0 412 B
|
||||
ATOM 3467 C C ? ALA Bxp 185 ? 11.095 35.881 34.194 0.00 0 412 B
|
||||
ATOM 3468 O O ? ALA Bxp 185 ? 11.091 35.559 32.996 -1.48 0 412 B
|
||||
ATOM 3469 C CB ? ALA Bxp 185 ? 11.719 34.122 35.988 0.00 0 412 B
|
||||
ATOM 3477 C CD2 ? TYR Bxp 186 ? 7.993 34.321 34.340 0.00 0 413 B
|
||||
ATOM 3479 C CE2 ? TYR Bxp 186 ? 8.057 32.973 34.745 0.00 0 413 B
|
||||
ATOM 3480 C CZ ? TYR Bxp 186 ? 7.994 32.670 36.110 0.00 0 413 B
|
||||
ATOM 3481 O OH ? TYR Bxp 186 ? 8.084 31.363 36.537 -4.02 0 413 B
|
||||
ATOM 3765 C CE2 ? TYR Bxp 222 ? 15.055 30.785 37.702 0.00 0 449 B
|
||||
ATOM 3766 C CZ ? TYR Bxp 222 ? 14.071 31.761 38.009 0.00 0 449 B
|
||||
ATOM 3767 O OH ? TYR Bxp 222 ? 12.714 31.484 37.996 -5.36 0 449 B
|
||||
ATOM 3799 C CD ? GLU Bxp 226 ? 13.993 27.306 39.282 0.00 0 453 B
|
||||
ATOM 3800 O OE1 ? GLU Bxp 226 ? 14.870 27.408 38.360 -0.81 0 453 B
|
||||
ATOM 3801 O OE2 ? GLU Bxp 226 ? 12.770 27.280 39.032 -3.35 0 453 B
|
||||
ATOM 1001 C CZ ? ARG Axp 135 ? 8.312 28.577 24.461 0.00 0 362 A
|
||||
ATOM 1002 N NH1 ? ARG Axp 135 ? 9.413 28.531 25.244 0.00 0 362 A
|
||||
ATOM 1003 N NH2 ? ARG Axp 135 ? 7.226 29.265 24.836 0.00 0 362 A
|
||||
ATOM 1243 O O ? HIS Axp 169 ? 16.336 32.072 31.842 0.00 0 396 A
|
||||
ATOM 1246 N ND1 ? HIS Axp 169 ? 14.891 34.244 30.609 0.00 0 396 A
|
||||
ATOM 1248 C CE1 ? HIS Axp 169 ? 14.000 35.208 30.775 0.00 0 396 A
|
||||
ATOM 1251 C CA ? ALA Axp 170 ? 16.342 32.830 34.571 0.00 0 397 A
|
||||
ATOM 1252 C C ? ALA Axp 170 ? 16.105 31.311 34.539 0.00 0 397 A
|
||||
ATOM 1253 O O ? ALA Axp 170 ? 14.997 30.833 34.207 -3.35 0 397 A
|
||||
ATOM 1254 C CB ? ALA Axp 170 ? 15.038 33.564 34.528 0.00 0 397 A
|
||||
ATOM 1256 C CA ? GLY Axp 171 ? 17.074 29.084 34.902 0.00 0 398 A
|
||||
ATOM 1259 N N ? ALA Axp 172 ? 16.361 29.184 32.560 0.00 0 399 A
|
||||
ATOM 1263 C CB ? ALA Axp 172 ? 15.072 29.176 30.433 0.00 0 399 A
|
||||
ATOM 1281 C CE1 ? PHE Axp 174 ? 14.531 32.366 27.594 0.00 0 401 A
|
||||
ATOM 1282 C CE2 ? PHE Axp 174 ? 14.196 30.378 26.256 0.00 0 401 A
|
||||
ATOM 1283 C CZ ? PHE Axp 174 ? 13.758 31.239 27.249 0.00 0 401 A
|
||||
ATOM 1382 C CA ? ASN Axp 187 ? 9.608 35.946 26.808 0.00 0 414 A
|
||||
ATOM 1383 C C ? ASN Axp 187 ? 8.479 35.419 25.906 0.00 0 414 A
|
||||
ATOM 1384 O O ? ASN Axp 187 ? 7.917 34.355 26.156 0.00 0 414 A
|
||||
ATOM 1385 C CB ? ASN Axp 187 ? 9.428 35.556 28.277 0.00 0 414 A
|
||||
ATOM 1386 C CG ? ASN Axp 187 ? 10.553 36.098 29.143 0.00 0 414 A
|
||||
ATOM 1387 O OD1 ? ASN Axp 187 ? 11.727 35.895 28.835 -1.07 0 414 A
|
||||
ATOM 1388 N ND2 ? ASN Axp 187 ? 10.204 36.824 30.200 -2.19 0 414 A
|
||||
ATOM 1404 C CD1 ? PHE Axp 189 ? 9.607 32.353 24.110 0.00 0 416 A
|
||||
ATOM 1406 C CE1 ? PHE Axp 189 ? 10.863 32.584 24.721 0.00 0 416 A
|
||||
ATOM 1408 C CZ ? PHE Axp 189 ? 12.053 32.229 24.016 0.00 0 416 A
|
||||
ATOM 3466 C CA ? ALA Bxp 185 ? 12.204 35.328 35.131 0.00 0 412 B
|
||||
ATOM 3467 C C ? ALA Bxp 185 ? 11.095 35.881 34.194 0.00 0 412 B
|
||||
ATOM 3468 O O ? ALA Bxp 185 ? 11.091 35.559 32.996 -1.48 0 412 B
|
||||
ATOM 3469 C CB ? ALA Bxp 185 ? 11.719 34.122 35.988 0.00 0 412 B
|
||||
ATOM 3477 C CD2 ? TYR Bxp 186 ? 7.993 34.321 34.340 0.00 0 413 B
|
||||
ATOM 3479 C CE2 ? TYR Bxp 186 ? 8.057 32.973 34.745 0.00 0 413 B
|
||||
ATOM 3480 C CZ ? TYR Bxp 186 ? 7.994 32.670 36.110 0.00 0 413 B
|
||||
ATOM 3481 O OH ? TYR Bxp 186 ? 8.084 31.363 36.537 -4.02 0 413 B
|
||||
ATOM 3765 C CE2 ? TYR Bxp 222 ? 15.055 30.785 37.702 0.00 0 449 B
|
||||
ATOM 3766 C CZ ? TYR Bxp 222 ? 14.071 31.761 38.009 0.00 0 449 B
|
||||
ATOM 3767 O OH ? TYR Bxp 222 ? 12.714 31.484 37.996 -5.36 0 449 B
|
||||
ATOM 3799 C CD ? GLU Bxp 226 ? 13.993 27.306 39.282 0.00 0 453 B
|
||||
ATOM 3800 O OE1 ? GLU Bxp 226 ? 14.870 27.408 38.360 -0.81 0 453 B
|
||||
ATOM 3801 O OE2 ? GLU Bxp 226 ? 12.770 27.280 39.032 -3.35 0 453 B
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 42:
|
||||
6 - Hydrophobicity Score : 7.2222
|
||||
7 - Polarity Score : 7
|
||||
8 - Amino Acid based volume Score : 4.0000
|
||||
9 - Pocket volume (Monte Carlo) : 331.7213
|
||||
9 - Pocket volume (Monte Carlo) : 323.6849
|
||||
10 -Pocket volume (convex hull) : 26.2250
|
||||
11 - Charge Score : -1
|
||||
12 - Local hydrophobic density Score : 0.0000
|
||||
@@ -39,24 +39,24 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 781 O OE2 ? GLU Axp 107 ? 27.157 15.861 -1.749 0.00 0 334 A
|
||||
ATOM 1084 C CA ? ASN Axp 147 ? 20.821 13.486 -1.894 0.00 0 374 A
|
||||
ATOM 1099 C CE1 ? HIS Axp 148 ? 23.808 17.248 -3.067 0.00 0 375 A
|
||||
ATOM 1089 O OD1 ? ASN Axp 147 ? 21.078 11.639 -4.365 0.00 0 374 A
|
||||
ATOM 1083 N N ? ASN Axp 147 ? 21.328 12.618 -0.841 -3.70 0 374 A
|
||||
ATOM 1100 N NE2 ? HIS Axp 148 ? 24.508 17.369 -1.950 0.00 0 375 A
|
||||
ATOM 1098 C CD2 ? HIS Axp 148 ? 23.649 17.575 -0.897 0.00 0 375 A
|
||||
ATOM 662 O OH ? TYR Axp 93 ? 26.484 10.167 1.583 0.00 0 320 A
|
||||
ATOM 659 C CE1 ? TYR Axp 93 ? 24.794 11.282 2.833 0.00 0 320 A
|
||||
ATOM 1079 C CG ? GLU Axp 146 ? 22.230 8.830 0.443 0.00 0 373 A
|
||||
ATOM 661 C CZ ? TYR Axp 93 ? 26.143 10.980 2.627 0.00 0 320 A
|
||||
ATOM 710 O OH ? TYR Axp 99 ? 25.888 17.152 1.431 -8.57 0 326 A
|
||||
ATOM 1091 N N ? HIS Axp 148 ? 20.978 15.301 -0.266 0.00 0 375 A
|
||||
ATOM 1073 O O ? GLY Axp 145 ? 21.415 13.457 2.663 -1.07 0 372 A
|
||||
ATOM 660 C CE2 ? TYR Axp 93 ? 27.114 11.475 3.462 0.00 0 320 A
|
||||
ATOM 780 O OE1 ? GLU Axp 107 ? 29.287 15.840 -2.292 -1.21 0 334 A
|
||||
ATOM 707 C CE1 ? TYR Axp 99 ? 26.331 16.631 3.680 0.00 0 326 A
|
||||
ATOM 743 C CB ? CYS Axp 103 ? 29.537 20.026 2.534 0.00 0 330 A
|
||||
ATOM 740 C CA ? CYS Axp 103 ? 30.964 19.539 2.857 0.00 0 330 A
|
||||
ATOM 745 N N ? ASN Axp 104 ? 31.730 19.297 0.561 -0.42 0 331 A
|
||||
ATOM 781 O OE2 ? GLU Axp 107 ? 27.157 15.861 -1.749 0.00 0 334 A
|
||||
ATOM 1084 C CA ? ASN Axp 147 ? 20.821 13.486 -1.894 0.00 0 374 A
|
||||
ATOM 1099 C CE1 ? HIS Axp 148 ? 23.808 17.248 -3.067 0.00 0 375 A
|
||||
ATOM 1089 O OD1 ? ASN Axp 147 ? 21.078 11.639 -4.365 0.00 0 374 A
|
||||
ATOM 1083 N N ? ASN Axp 147 ? 21.328 12.618 -0.841 -3.70 0 374 A
|
||||
ATOM 1100 N NE2 ? HIS Axp 148 ? 24.508 17.369 -1.950 0.00 0 375 A
|
||||
ATOM 1098 C CD2 ? HIS Axp 148 ? 23.649 17.575 -0.897 0.00 0 375 A
|
||||
ATOM 662 O OH ? TYR Axp 93 ? 26.484 10.167 1.583 0.00 0 320 A
|
||||
ATOM 659 C CE1 ? TYR Axp 93 ? 24.794 11.282 2.833 0.00 0 320 A
|
||||
ATOM 1079 C CG ? GLU Axp 146 ? 22.230 8.830 0.443 0.00 0 373 A
|
||||
ATOM 661 C CZ ? TYR Axp 93 ? 26.143 10.980 2.627 0.00 0 320 A
|
||||
ATOM 710 O OH ? TYR Axp 99 ? 25.888 17.152 1.431 -8.57 0 326 A
|
||||
ATOM 1091 N N ? HIS Axp 148 ? 20.978 15.301 -0.266 0.00 0 375 A
|
||||
ATOM 1073 O O ? GLY Axp 145 ? 21.415 13.457 2.663 -1.07 0 372 A
|
||||
ATOM 660 C CE2 ? TYR Axp 93 ? 27.114 11.475 3.462 0.00 0 320 A
|
||||
ATOM 780 O OE1 ? GLU Axp 107 ? 29.287 15.840 -2.292 -1.21 0 334 A
|
||||
ATOM 707 C CE1 ? TYR Axp 99 ? 26.331 16.631 3.680 0.00 0 326 A
|
||||
ATOM 743 C CB ? CYS Axp 103 ? 29.537 20.026 2.534 0.00 0 330 A
|
||||
ATOM 740 C CA ? CYS Axp 103 ? 30.964 19.539 2.857 0.00 0 330 A
|
||||
ATOM 745 N N ? ASN Axp 104 ? 31.730 19.297 0.561 -0.42 0 331 A
|
||||
#
|
||||
|
||||
@@ -17,46 +17,46 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 656 C CG ? TYR Axp 93 ? 25.376 12.665 4.726 0.00 0 320 A
|
||||
ATOM 657 C CD1 ? TYR Axp 93 ? 24.422 12.108 3.886 0.00 0 320 A
|
||||
ATOM 658 C CD2 ? TYR Axp 93 ? 26.724 12.321 4.519 0.00 0 320 A
|
||||
ATOM 659 C CE1 ? TYR Axp 93 ? 24.794 11.282 2.833 0.00 0 320 A
|
||||
ATOM 660 C CE2 ? TYR Axp 93 ? 27.114 11.475 3.462 0.00 0 320 A
|
||||
ATOM 661 C CZ ? TYR Axp 93 ? 26.143 10.980 2.627 0.00 0 320 A
|
||||
ATOM 662 O OH ? TYR Axp 93 ? 26.484 10.167 1.583 0.00 0 320 A
|
||||
ATOM 705 C CD1 ? TYR Axp 99 ? 26.373 16.990 4.994 0.00 0 326 A
|
||||
ATOM 707 C CE1 ? TYR Axp 99 ? 26.331 16.631 3.680 0.00 0 326 A
|
||||
ATOM 709 C CZ ? TYR Axp 99 ? 25.909 17.547 2.739 0.00 0 326 A
|
||||
ATOM 710 O OH ? TYR Axp 99 ? 25.888 17.152 1.431 -8.57 0 326 A
|
||||
ATOM 740 C CA ? CYS Axp 103 ? 30.964 19.539 2.857 0.00 0 330 A
|
||||
ATOM 741 C C ? CYS Axp 103 ? 31.944 19.950 1.700 0.00 0 330 A
|
||||
ATOM 743 C CB ? CYS Axp 103 ? 29.537 20.026 2.534 0.00 0 330 A
|
||||
ATOM 745 N N ? ASN Axp 104 ? 31.730 19.297 0.561 -0.42 0 331 A
|
||||
ATOM 749 C CB ? ASN Axp 104 ? 32.357 18.296 -1.572 0.00 0 331 A
|
||||
ATOM 779 C CD ? GLU Axp 107 ? 28.108 16.250 -2.471 0.00 0 334 A
|
||||
ATOM 780 O OE1 ? GLU Axp 107 ? 29.287 15.840 -2.292 -1.21 0 334 A
|
||||
ATOM 781 O OE2 ? GLU Axp 107 ? 27.157 15.861 -1.749 0.00 0 334 A
|
||||
ATOM 788 C CG2 ? VAL Axp 108 ? 26.888 19.954 -0.298 0.00 0 335 A
|
||||
ATOM 1072 C C ? GLY Axp 145 ? 20.887 12.450 3.105 0.00 0 372 A
|
||||
ATOM 1073 O O ? GLY Axp 145 ? 21.415 13.457 2.663 -1.07 0 372 A
|
||||
ATOM 1075 C CA ? GLU Axp 146 ? 21.218 11.144 1.060 0.00 0 373 A
|
||||
ATOM 1076 C C ? GLU Axp 146 ? 20.549 12.112 0.118 0.00 0 373 A
|
||||
ATOM 1078 C CB ? GLU Axp 146 ? 20.949 9.685 0.616 0.00 0 373 A
|
||||
ATOM 1079 C CG ? GLU Axp 146 ? 22.230 8.830 0.443 0.00 0 373 A
|
||||
ATOM 1080 C CD ? GLU Axp 146 ? 22.755 8.215 1.744 0.00 0 373 A
|
||||
ATOM 1082 O OE2 ? GLU Axp 146 ? 24.011 8.134 1.903 0.00 0 373 A
|
||||
ATOM 1083 N N ? ASN Axp 147 ? 21.328 12.618 -0.841 -3.70 0 374 A
|
||||
ATOM 1084 C CA ? ASN Axp 147 ? 20.821 13.486 -1.894 0.00 0 374 A
|
||||
ATOM 1085 C C ? ASN Axp 147 ? 20.400 14.894 -1.403 0.00 0 374 A
|
||||
ATOM 1087 C CB ? ASN Axp 147 ? 19.689 12.778 -2.710 0.00 0 374 A
|
||||
ATOM 1088 C CG ? ASN Axp 147 ? 20.197 11.521 -3.505 0.00 0 374 A
|
||||
ATOM 1089 O OD1 ? ASN Axp 147 ? 21.078 11.639 -4.365 0.00 0 374 A
|
||||
ATOM 1090 N ND2 ? ASN Axp 147 ? 19.622 10.330 -3.208 0.00 0 374 A
|
||||
ATOM 1091 N N ? HIS Axp 148 ? 20.978 15.301 -0.266 0.00 0 375 A
|
||||
ATOM 1092 C CA ? HIS Axp 148 ? 20.780 16.627 0.314 0.00 0 375 A
|
||||
ATOM 1096 C CG ? HIS Axp 148 ? 22.389 17.558 -1.409 0.00 0 375 A
|
||||
ATOM 1097 N ND1 ? HIS Axp 148 ? 22.525 17.342 -2.765 0.00 0 375 A
|
||||
ATOM 1098 C CD2 ? HIS Axp 148 ? 23.649 17.575 -0.897 0.00 0 375 A
|
||||
ATOM 1099 C CE1 ? HIS Axp 148 ? 23.808 17.248 -3.067 0.00 0 375 A
|
||||
ATOM 1100 N NE2 ? HIS Axp 148 ? 24.508 17.369 -1.950 0.00 0 375 A
|
||||
ATOM 656 C CG ? TYR Axp 93 ? 25.376 12.665 4.726 0.00 0 320 A
|
||||
ATOM 657 C CD1 ? TYR Axp 93 ? 24.422 12.108 3.886 0.00 0 320 A
|
||||
ATOM 658 C CD2 ? TYR Axp 93 ? 26.724 12.321 4.519 0.00 0 320 A
|
||||
ATOM 659 C CE1 ? TYR Axp 93 ? 24.794 11.282 2.833 0.00 0 320 A
|
||||
ATOM 660 C CE2 ? TYR Axp 93 ? 27.114 11.475 3.462 0.00 0 320 A
|
||||
ATOM 661 C CZ ? TYR Axp 93 ? 26.143 10.980 2.627 0.00 0 320 A
|
||||
ATOM 662 O OH ? TYR Axp 93 ? 26.484 10.167 1.583 0.00 0 320 A
|
||||
ATOM 705 C CD1 ? TYR Axp 99 ? 26.373 16.990 4.994 0.00 0 326 A
|
||||
ATOM 707 C CE1 ? TYR Axp 99 ? 26.331 16.631 3.680 0.00 0 326 A
|
||||
ATOM 709 C CZ ? TYR Axp 99 ? 25.909 17.547 2.739 0.00 0 326 A
|
||||
ATOM 710 O OH ? TYR Axp 99 ? 25.888 17.152 1.431 -8.57 0 326 A
|
||||
ATOM 740 C CA ? CYS Axp 103 ? 30.964 19.539 2.857 0.00 0 330 A
|
||||
ATOM 741 C C ? CYS Axp 103 ? 31.944 19.950 1.700 0.00 0 330 A
|
||||
ATOM 743 C CB ? CYS Axp 103 ? 29.537 20.026 2.534 0.00 0 330 A
|
||||
ATOM 745 N N ? ASN Axp 104 ? 31.730 19.297 0.561 -0.42 0 331 A
|
||||
ATOM 749 C CB ? ASN Axp 104 ? 32.357 18.296 -1.572 0.00 0 331 A
|
||||
ATOM 779 C CD ? GLU Axp 107 ? 28.108 16.250 -2.471 0.00 0 334 A
|
||||
ATOM 780 O OE1 ? GLU Axp 107 ? 29.287 15.840 -2.292 -1.21 0 334 A
|
||||
ATOM 781 O OE2 ? GLU Axp 107 ? 27.157 15.861 -1.749 0.00 0 334 A
|
||||
ATOM 788 C CG2 ? VAL Axp 108 ? 26.888 19.954 -0.298 0.00 0 335 A
|
||||
ATOM 1072 C C ? GLY Axp 145 ? 20.887 12.450 3.105 0.00 0 372 A
|
||||
ATOM 1073 O O ? GLY Axp 145 ? 21.415 13.457 2.663 -1.07 0 372 A
|
||||
ATOM 1075 C CA ? GLU Axp 146 ? 21.218 11.144 1.060 0.00 0 373 A
|
||||
ATOM 1076 C C ? GLU Axp 146 ? 20.549 12.112 0.118 0.00 0 373 A
|
||||
ATOM 1078 C CB ? GLU Axp 146 ? 20.949 9.685 0.616 0.00 0 373 A
|
||||
ATOM 1079 C CG ? GLU Axp 146 ? 22.230 8.830 0.443 0.00 0 373 A
|
||||
ATOM 1080 C CD ? GLU Axp 146 ? 22.755 8.215 1.744 0.00 0 373 A
|
||||
ATOM 1082 O OE2 ? GLU Axp 146 ? 24.011 8.134 1.903 0.00 0 373 A
|
||||
ATOM 1083 N N ? ASN Axp 147 ? 21.328 12.618 -0.841 -3.70 0 374 A
|
||||
ATOM 1084 C CA ? ASN Axp 147 ? 20.821 13.486 -1.894 0.00 0 374 A
|
||||
ATOM 1085 C C ? ASN Axp 147 ? 20.400 14.894 -1.403 0.00 0 374 A
|
||||
ATOM 1087 C CB ? ASN Axp 147 ? 19.689 12.778 -2.710 0.00 0 374 A
|
||||
ATOM 1088 C CG ? ASN Axp 147 ? 20.197 11.521 -3.505 0.00 0 374 A
|
||||
ATOM 1089 O OD1 ? ASN Axp 147 ? 21.078 11.639 -4.365 0.00 0 374 A
|
||||
ATOM 1090 N ND2 ? ASN Axp 147 ? 19.622 10.330 -3.208 0.00 0 374 A
|
||||
ATOM 1091 N N ? HIS Axp 148 ? 20.978 15.301 -0.266 0.00 0 375 A
|
||||
ATOM 1092 C CA ? HIS Axp 148 ? 20.780 16.627 0.314 0.00 0 375 A
|
||||
ATOM 1096 C CG ? HIS Axp 148 ? 22.389 17.558 -1.409 0.00 0 375 A
|
||||
ATOM 1097 N ND1 ? HIS Axp 148 ? 22.525 17.342 -2.765 0.00 0 375 A
|
||||
ATOM 1098 C CD2 ? HIS Axp 148 ? 23.649 17.575 -0.897 0.00 0 375 A
|
||||
ATOM 1099 C CE1 ? HIS Axp 148 ? 23.808 17.248 -3.067 0.00 0 375 A
|
||||
ATOM 1100 N NE2 ? HIS Axp 148 ? 24.508 17.369 -1.950 0.00 0 375 A
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 43:
|
||||
6 - Hydrophobicity Score : 17.5000
|
||||
7 - Polarity Score : 3
|
||||
8 - Amino Acid based volume Score : 4.2500
|
||||
9 - Pocket volume (Monte Carlo) : 189.8323
|
||||
9 - Pocket volume (Monte Carlo) : 189.7461
|
||||
10 -Pocket volume (convex hull) : 6.7499
|
||||
11 - Charge Score : 0
|
||||
12 - Local hydrophobic density Score : 12.0000
|
||||
@@ -39,24 +39,24 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 2416 C CA ? THR Bxp 50 ? 17.939 64.959 23.550 0.00 0 277 B
|
||||
ATOM 2413 O O ? GLU Bxp 48 ? 19.441 68.370 22.824 0.00 0 275 B
|
||||
ATOM 2418 O O ? THR Bxp 50 ? 15.558 64.621 23.499 0.00 0 277 B
|
||||
ATOM 2441 C CG2 ? VAL Bxp 53 ? 14.178 66.395 26.369 0.00 0 280 B
|
||||
ATOM 2415 N N ? THR Bxp 50 ? 18.296 65.229 24.944 -1.09 0 277 B
|
||||
ATOM 2670 C CE1 ? PHE Bxp 84 ? 12.628 69.905 29.075 0.00 0 311 B
|
||||
ATOM 2440 C CG1 ? VAL Bxp 53 ? 11.816 66.680 27.181 0.00 0 280 B
|
||||
ATOM 2672 C CZ ? PHE Bxp 84 ? 12.303 71.272 28.812 0.00 0 311 B
|
||||
ATOM 2404 C CD2 ? LEU Bxp 46 ? 15.909 66.339 29.452 0.00 0 273 B
|
||||
ATOM 2400 O O ? LEU Bxp 46 ? 20.202 69.008 29.317 -2.14 0 273 B
|
||||
ATOM 2668 C CD1 ? PHE Bxp 84 ? 13.569 69.600 30.041 0.00 0 311 B
|
||||
ATOM 2401 C CB ? LEU Bxp 46 ? 18.001 67.145 30.437 0.00 0 273 B
|
||||
ATOM 2652 C CB ? PRO Bxp 82 ? 16.611 73.617 26.894 0.00 0 309 B
|
||||
ATOM 2402 C CG ? LEU Bxp 46 ? 17.385 66.162 29.440 0.00 0 273 B
|
||||
ATOM 2408 O O ? LYS Bxp 47 ? 20.025 67.555 26.399 -1.07 0 274 B
|
||||
ATOM 2653 C CG ? PRO Bxp 82 ? 15.340 73.703 26.076 0.00 0 309 B
|
||||
ATOM 2662 N N ? PHE Bxp 84 ? 16.865 71.881 31.221 0.00 0 311 B
|
||||
ATOM 2656 C CA ? PRO Bxp 83 ? 18.492 73.178 30.012 0.00 0 310 B
|
||||
ATOM 2667 C CG ? PHE Bxp 84 ? 14.177 70.603 30.784 0.00 0 311 B
|
||||
ATOM 2412 C C ? GLU Bxp 48 ? 20.030 68.088 23.874 0.00 0 275 B
|
||||
ATOM 2416 C CA ? THR Bxp 50 ? 17.939 64.959 23.550 0.00 0 277 B
|
||||
ATOM 2413 O O ? GLU Bxp 48 ? 19.441 68.370 22.824 0.00 0 275 B
|
||||
ATOM 2418 O O ? THR Bxp 50 ? 15.558 64.621 23.499 0.00 0 277 B
|
||||
ATOM 2441 C CG2 ? VAL Bxp 53 ? 14.178 66.395 26.369 0.00 0 280 B
|
||||
ATOM 2415 N N ? THR Bxp 50 ? 18.296 65.229 24.944 -1.09 0 277 B
|
||||
ATOM 2670 C CE1 ? PHE Bxp 84 ? 12.628 69.905 29.075 0.00 0 311 B
|
||||
ATOM 2440 C CG1 ? VAL Bxp 53 ? 11.816 66.680 27.181 0.00 0 280 B
|
||||
ATOM 2672 C CZ ? PHE Bxp 84 ? 12.303 71.272 28.812 0.00 0 311 B
|
||||
ATOM 2404 C CD2 ? LEU Bxp 46 ? 15.909 66.339 29.452 0.00 0 273 B
|
||||
ATOM 2400 O O ? LEU Bxp 46 ? 20.202 69.008 29.317 -2.14 0 273 B
|
||||
ATOM 2668 C CD1 ? PHE Bxp 84 ? 13.569 69.600 30.041 0.00 0 311 B
|
||||
ATOM 2401 C CB ? LEU Bxp 46 ? 18.001 67.145 30.437 0.00 0 273 B
|
||||
ATOM 2652 C CB ? PRO Bxp 82 ? 16.611 73.617 26.894 0.00 0 309 B
|
||||
ATOM 2402 C CG ? LEU Bxp 46 ? 17.385 66.162 29.440 0.00 0 273 B
|
||||
ATOM 2408 O O ? LYS Bxp 47 ? 20.025 67.555 26.399 -1.07 0 274 B
|
||||
ATOM 2653 C CG ? PRO Bxp 82 ? 15.340 73.703 26.076 0.00 0 309 B
|
||||
ATOM 2662 N N ? PHE Bxp 84 ? 16.865 71.881 31.221 0.00 0 311 B
|
||||
ATOM 2656 C CA ? PRO Bxp 83 ? 18.492 73.178 30.012 0.00 0 310 B
|
||||
ATOM 2667 C CG ? PHE Bxp 84 ? 14.177 70.603 30.784 0.00 0 311 B
|
||||
ATOM 2412 C C ? GLU Bxp 48 ? 20.030 68.088 23.874 0.00 0 275 B
|
||||
#
|
||||
|
||||
@@ -17,37 +17,37 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 2398 C CA ? LEU Bxp 46 ? 19.514 67.174 30.716 0.00 0 273 B
|
||||
ATOM 2399 C C ? LEU Bxp 46 ? 20.328 67.801 29.576 0.00 0 273 B
|
||||
ATOM 2400 O O ? LEU Bxp 46 ? 20.202 69.008 29.317 -2.14 0 273 B
|
||||
ATOM 2401 C CB ? LEU Bxp 46 ? 18.001 67.145 30.437 0.00 0 273 B
|
||||
ATOM 2402 C CG ? LEU Bxp 46 ? 17.385 66.162 29.440 0.00 0 273 B
|
||||
ATOM 2404 C CD2 ? LEU Bxp 46 ? 15.909 66.339 29.452 0.00 0 273 B
|
||||
ATOM 2407 C C ? LYS Bxp 47 ? 21.266 67.729 26.471 0.00 0 274 B
|
||||
ATOM 2408 O O ? LYS Bxp 47 ? 20.025 67.555 26.399 -1.07 0 274 B
|
||||
ATOM 2412 C C ? GLU Bxp 48 ? 20.030 68.088 23.874 0.00 0 275 B
|
||||
ATOM 2413 O O ? GLU Bxp 48 ? 19.441 68.370 22.824 0.00 0 275 B
|
||||
ATOM 2415 N N ? THR Bxp 50 ? 18.296 65.229 24.944 -1.09 0 277 B
|
||||
ATOM 2416 C CA ? THR Bxp 50 ? 17.939 64.959 23.550 0.00 0 277 B
|
||||
ATOM 2417 C C ? THR Bxp 50 ? 16.678 64.086 23.513 0.00 0 277 B
|
||||
ATOM 2418 O O ? THR Bxp 50 ? 15.558 64.621 23.499 0.00 0 277 B
|
||||
ATOM 2439 C CB ? VAL Bxp 53 ? 12.880 65.676 26.698 0.00 0 280 B
|
||||
ATOM 2440 C CG1 ? VAL Bxp 53 ? 11.816 66.680 27.181 0.00 0 280 B
|
||||
ATOM 2441 C CG2 ? VAL Bxp 53 ? 14.178 66.395 26.369 0.00 0 280 B
|
||||
ATOM 2649 C CA ? PRO Bxp 82 ? 16.246 74.174 28.274 0.00 0 309 B
|
||||
ATOM 2652 C CB ? PRO Bxp 82 ? 16.611 73.617 26.894 0.00 0 309 B
|
||||
ATOM 2653 C CG ? PRO Bxp 82 ? 15.340 73.703 26.076 0.00 0 309 B
|
||||
ATOM 2655 N N ? PRO Bxp 83 ? 18.408 74.577 29.505 0.00 0 310 B
|
||||
ATOM 2656 C CA ? PRO Bxp 83 ? 18.492 73.178 30.012 0.00 0 310 B
|
||||
ATOM 2657 C C ? PRO Bxp 83 ? 17.577 72.997 31.241 0.00 0 310 B
|
||||
ATOM 2659 C CB ? PRO Bxp 83 ? 19.980 72.991 30.367 0.00 0 310 B
|
||||
ATOM 2662 N N ? PHE Bxp 84 ? 16.865 71.881 31.221 0.00 0 311 B
|
||||
ATOM 2663 C CA ? PHE Bxp 84 ? 16.001 71.460 32.306 0.00 0 311 B
|
||||
ATOM 2666 C CB ? PHE Bxp 84 ? 15.186 70.261 31.830 0.00 0 311 B
|
||||
ATOM 2667 C CG ? PHE Bxp 84 ? 14.177 70.603 30.784 0.00 0 311 B
|
||||
ATOM 2668 C CD1 ? PHE Bxp 84 ? 13.569 69.600 30.041 0.00 0 311 B
|
||||
ATOM 2669 C CD2 ? PHE Bxp 84 ? 13.838 71.944 30.530 0.00 0 311 B
|
||||
ATOM 2670 C CE1 ? PHE Bxp 84 ? 12.628 69.905 29.075 0.00 0 311 B
|
||||
ATOM 2671 C CE2 ? PHE Bxp 84 ? 12.907 72.282 29.553 0.00 0 311 B
|
||||
ATOM 2672 C CZ ? PHE Bxp 84 ? 12.303 71.272 28.812 0.00 0 311 B
|
||||
ATOM 2398 C CA ? LEU Bxp 46 ? 19.514 67.174 30.716 0.00 0 273 B
|
||||
ATOM 2399 C C ? LEU Bxp 46 ? 20.328 67.801 29.576 0.00 0 273 B
|
||||
ATOM 2400 O O ? LEU Bxp 46 ? 20.202 69.008 29.317 -2.14 0 273 B
|
||||
ATOM 2401 C CB ? LEU Bxp 46 ? 18.001 67.145 30.437 0.00 0 273 B
|
||||
ATOM 2402 C CG ? LEU Bxp 46 ? 17.385 66.162 29.440 0.00 0 273 B
|
||||
ATOM 2404 C CD2 ? LEU Bxp 46 ? 15.909 66.339 29.452 0.00 0 273 B
|
||||
ATOM 2407 C C ? LYS Bxp 47 ? 21.266 67.729 26.471 0.00 0 274 B
|
||||
ATOM 2408 O O ? LYS Bxp 47 ? 20.025 67.555 26.399 -1.07 0 274 B
|
||||
ATOM 2412 C C ? GLU Bxp 48 ? 20.030 68.088 23.874 0.00 0 275 B
|
||||
ATOM 2413 O O ? GLU Bxp 48 ? 19.441 68.370 22.824 0.00 0 275 B
|
||||
ATOM 2415 N N ? THR Bxp 50 ? 18.296 65.229 24.944 -1.09 0 277 B
|
||||
ATOM 2416 C CA ? THR Bxp 50 ? 17.939 64.959 23.550 0.00 0 277 B
|
||||
ATOM 2417 C C ? THR Bxp 50 ? 16.678 64.086 23.513 0.00 0 277 B
|
||||
ATOM 2418 O O ? THR Bxp 50 ? 15.558 64.621 23.499 0.00 0 277 B
|
||||
ATOM 2439 C CB ? VAL Bxp 53 ? 12.880 65.676 26.698 0.00 0 280 B
|
||||
ATOM 2440 C CG1 ? VAL Bxp 53 ? 11.816 66.680 27.181 0.00 0 280 B
|
||||
ATOM 2441 C CG2 ? VAL Bxp 53 ? 14.178 66.395 26.369 0.00 0 280 B
|
||||
ATOM 2649 C CA ? PRO Bxp 82 ? 16.246 74.174 28.274 0.00 0 309 B
|
||||
ATOM 2652 C CB ? PRO Bxp 82 ? 16.611 73.617 26.894 0.00 0 309 B
|
||||
ATOM 2653 C CG ? PRO Bxp 82 ? 15.340 73.703 26.076 0.00 0 309 B
|
||||
ATOM 2655 N N ? PRO Bxp 83 ? 18.408 74.577 29.505 0.00 0 310 B
|
||||
ATOM 2656 C CA ? PRO Bxp 83 ? 18.492 73.178 30.012 0.00 0 310 B
|
||||
ATOM 2657 C C ? PRO Bxp 83 ? 17.577 72.997 31.241 0.00 0 310 B
|
||||
ATOM 2659 C CB ? PRO Bxp 83 ? 19.980 72.991 30.367 0.00 0 310 B
|
||||
ATOM 2662 N N ? PHE Bxp 84 ? 16.865 71.881 31.221 0.00 0 311 B
|
||||
ATOM 2663 C CA ? PHE Bxp 84 ? 16.001 71.460 32.306 0.00 0 311 B
|
||||
ATOM 2666 C CB ? PHE Bxp 84 ? 15.186 70.261 31.830 0.00 0 311 B
|
||||
ATOM 2667 C CG ? PHE Bxp 84 ? 14.177 70.603 30.784 0.00 0 311 B
|
||||
ATOM 2668 C CD1 ? PHE Bxp 84 ? 13.569 69.600 30.041 0.00 0 311 B
|
||||
ATOM 2669 C CD2 ? PHE Bxp 84 ? 13.838 71.944 30.530 0.00 0 311 B
|
||||
ATOM 2670 C CE1 ? PHE Bxp 84 ? 12.628 69.905 29.075 0.00 0 311 B
|
||||
ATOM 2671 C CE2 ? PHE Bxp 84 ? 12.907 72.282 29.553 0.00 0 311 B
|
||||
ATOM 2672 C CZ ? PHE Bxp 84 ? 12.303 71.272 28.812 0.00 0 311 B
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 44:
|
||||
6 - Hydrophobicity Score : 1.8750
|
||||
7 - Polarity Score : 6
|
||||
8 - Amino Acid based volume Score : 4.6250
|
||||
9 - Pocket volume (Monte Carlo) : 219.8789
|
||||
9 - Pocket volume (Monte Carlo) : 221.6221
|
||||
10 -Pocket volume (convex hull) : 5.6026
|
||||
11 - Charge Score : -1
|
||||
12 - Local hydrophobic density Score : 3.0000
|
||||
@@ -39,20 +39,20 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 6326 O OG1 ? THR Dxp 13 ? 79.958 11.042 52.740 -1.88 0 240 D
|
||||
ATOM 6313 O OE2 ? GLU Dxp 11 ? 79.993 6.732 52.542 0.00 0 238 D
|
||||
ATOM 6312 O OE1 ? GLU Dxp 11 ? 77.808 6.551 52.358 0.00 0 238 D
|
||||
ATOM 6311 C CD ? GLU Dxp 11 ? 78.901 7.095 52.047 0.00 0 238 D
|
||||
ATOM 6318 C CB ? ARG Dxp 12 ? 75.495 11.892 53.722 0.00 0 239 D
|
||||
ATOM 6320 C CD ? ARG Dxp 12 ? 74.075 11.890 55.825 0.00 0 239 D
|
||||
ATOM 6319 C CG ? ARG Dxp 12 ? 74.181 11.451 54.358 0.00 0 239 D
|
||||
ATOM 6314 N N ? ARG Dxp 12 ? 75.794 10.369 51.796 -1.09 0 239 D
|
||||
ATOM 6300 O O ? MET Dxp 10 ? 74.107 7.374 51.316 -2.14 0 237 D
|
||||
ATOM 6816 O O ? GLU Dxp 81 ? 71.560 9.616 58.944 -1.07 0 308 D
|
||||
ATOM 6799 C CB ? CYS Dxp 78 ? 70.448 9.520 53.784 0.00 0 305 D
|
||||
ATOM 6800 S SG ? CYS Dxp 78 ? 71.556 9.854 52.412 0.00 0 305 D
|
||||
ATOM 6296 O OE2 ? GLU Dxp 9 ? 70.939 5.462 54.231 -5.36 0 236 D
|
||||
ATOM 6812 C CB ? ARG Dxp 80 ? 71.791 4.180 57.427 0.00 0 307 D
|
||||
ATOM 6813 N N ? GLU Dxp 81 ? 71.623 6.828 59.259 -1.09 0 308 D
|
||||
ATOM 6817 C CB ? GLU Dxp 81 ? 73.510 7.716 60.616 0.00 0 308 D
|
||||
ATOM 6326 O OG1 ? THR Dxp 13 ? 79.958 11.042 52.740 -1.88 0 240 D
|
||||
ATOM 6313 O OE2 ? GLU Dxp 11 ? 79.993 6.732 52.542 0.00 0 238 D
|
||||
ATOM 6312 O OE1 ? GLU Dxp 11 ? 77.808 6.551 52.358 0.00 0 238 D
|
||||
ATOM 6311 C CD ? GLU Dxp 11 ? 78.901 7.095 52.047 0.00 0 238 D
|
||||
ATOM 6318 C CB ? ARG Dxp 12 ? 75.495 11.892 53.722 0.00 0 239 D
|
||||
ATOM 6320 C CD ? ARG Dxp 12 ? 74.075 11.890 55.825 0.00 0 239 D
|
||||
ATOM 6319 C CG ? ARG Dxp 12 ? 74.181 11.451 54.358 0.00 0 239 D
|
||||
ATOM 6314 N N ? ARG Dxp 12 ? 75.794 10.369 51.796 -1.09 0 239 D
|
||||
ATOM 6300 O O ? MET Dxp 10 ? 74.107 7.374 51.316 -2.14 0 237 D
|
||||
ATOM 6816 O O ? GLU Dxp 81 ? 71.560 9.616 58.944 -1.07 0 308 D
|
||||
ATOM 6799 C CB ? CYS Dxp 78 ? 70.448 9.520 53.784 0.00 0 305 D
|
||||
ATOM 6800 S SG ? CYS Dxp 78 ? 71.556 9.854 52.412 0.00 0 305 D
|
||||
ATOM 6296 O OE2 ? GLU Dxp 9 ? 70.939 5.462 54.231 -5.36 0 236 D
|
||||
ATOM 6812 C CB ? ARG Dxp 80 ? 71.791 4.180 57.427 0.00 0 307 D
|
||||
ATOM 6813 N N ? GLU Dxp 81 ? 71.623 6.828 59.259 -1.09 0 308 D
|
||||
ATOM 6817 C CB ? GLU Dxp 81 ? 73.510 7.716 60.616 0.00 0 308 D
|
||||
#
|
||||
|
||||
@@ -17,33 +17,33 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 6296 O OE2 ? GLU Dxp 9 ? 70.939 5.462 54.231 -5.36 0 236 D
|
||||
ATOM 6300 O O ? MET Dxp 10 ? 74.107 7.374 51.316 -2.14 0 237 D
|
||||
ATOM 6306 C CA ? GLU Dxp 11 ? 76.441 8.484 50.396 0.00 0 238 D
|
||||
ATOM 6307 C C ? GLU Dxp 11 ? 76.263 9.991 50.600 0.00 0 238 D
|
||||
ATOM 6310 C CG ? GLU Dxp 11 ? 78.934 8.247 51.025 0.00 0 238 D
|
||||
ATOM 6311 C CD ? GLU Dxp 11 ? 78.901 7.095 52.047 0.00 0 238 D
|
||||
ATOM 6312 O OE1 ? GLU Dxp 11 ? 77.808 6.551 52.358 0.00 0 238 D
|
||||
ATOM 6313 O OE2 ? GLU Dxp 11 ? 79.993 6.732 52.542 0.00 0 238 D
|
||||
ATOM 6314 N N ? ARG Dxp 12 ? 75.794 10.369 51.796 -1.09 0 239 D
|
||||
ATOM 6315 C CA ? ARG Dxp 12 ? 75.570 11.765 52.190 0.00 0 239 D
|
||||
ATOM 6318 C CB ? ARG Dxp 12 ? 75.495 11.892 53.722 0.00 0 239 D
|
||||
ATOM 6319 C CG ? ARG Dxp 12 ? 74.181 11.451 54.358 0.00 0 239 D
|
||||
ATOM 6320 C CD ? ARG Dxp 12 ? 74.075 11.890 55.825 0.00 0 239 D
|
||||
ATOM 6321 N N ? THR Dxp 13 ? 77.883 12.130 51.657 0.00 0 240 D
|
||||
ATOM 6326 O OG1 ? THR Dxp 13 ? 79.958 11.042 52.740 -1.88 0 240 D
|
||||
ATOM 6796 C CA ? CYS Dxp 78 ? 69.542 8.311 53.590 0.00 0 305 D
|
||||
ATOM 6797 C C ? CYS Dxp 78 ? 68.724 8.076 54.855 0.00 0 305 D
|
||||
ATOM 6799 C CB ? CYS Dxp 78 ? 70.448 9.520 53.784 0.00 0 305 D
|
||||
ATOM 6800 S SG ? CYS Dxp 78 ? 71.556 9.854 52.412 0.00 0 305 D
|
||||
ATOM 6808 N N ? ARG Dxp 80 ? 69.790 5.665 57.370 0.00 0 307 D
|
||||
ATOM 6809 C CA ? ARG Dxp 80 ? 70.653 4.828 58.237 0.00 0 307 D
|
||||
ATOM 6810 C C ? ARG Dxp 80 ? 71.220 5.582 59.456 0.00 0 307 D
|
||||
ATOM 6812 C CB ? ARG Dxp 80 ? 71.791 4.180 57.427 0.00 0 307 D
|
||||
ATOM 6813 N N ? GLU Dxp 81 ? 71.623 6.828 59.259 -1.09 0 308 D
|
||||
ATOM 6814 C CA ? GLU Dxp 81 ? 71.985 7.702 60.370 0.00 0 308 D
|
||||
ATOM 6815 C C ? GLU Dxp 81 ? 71.450 9.116 60.080 0.00 0 308 D
|
||||
ATOM 6816 O O ? GLU Dxp 81 ? 71.560 9.616 58.944 -1.07 0 308 D
|
||||
ATOM 6817 C CB ? GLU Dxp 81 ? 73.510 7.716 60.616 0.00 0 308 D
|
||||
ATOM 6828 O O ? PRO Dxp 83 ? 70.445 11.763 57.215 0.00 0 310 D
|
||||
ATOM 6296 O OE2 ? GLU Dxp 9 ? 70.939 5.462 54.231 -5.36 0 236 D
|
||||
ATOM 6300 O O ? MET Dxp 10 ? 74.107 7.374 51.316 -2.14 0 237 D
|
||||
ATOM 6306 C CA ? GLU Dxp 11 ? 76.441 8.484 50.396 0.00 0 238 D
|
||||
ATOM 6307 C C ? GLU Dxp 11 ? 76.263 9.991 50.600 0.00 0 238 D
|
||||
ATOM 6310 C CG ? GLU Dxp 11 ? 78.934 8.247 51.025 0.00 0 238 D
|
||||
ATOM 6311 C CD ? GLU Dxp 11 ? 78.901 7.095 52.047 0.00 0 238 D
|
||||
ATOM 6312 O OE1 ? GLU Dxp 11 ? 77.808 6.551 52.358 0.00 0 238 D
|
||||
ATOM 6313 O OE2 ? GLU Dxp 11 ? 79.993 6.732 52.542 0.00 0 238 D
|
||||
ATOM 6314 N N ? ARG Dxp 12 ? 75.794 10.369 51.796 -1.09 0 239 D
|
||||
ATOM 6315 C CA ? ARG Dxp 12 ? 75.570 11.765 52.190 0.00 0 239 D
|
||||
ATOM 6318 C CB ? ARG Dxp 12 ? 75.495 11.892 53.722 0.00 0 239 D
|
||||
ATOM 6319 C CG ? ARG Dxp 12 ? 74.181 11.451 54.358 0.00 0 239 D
|
||||
ATOM 6320 C CD ? ARG Dxp 12 ? 74.075 11.890 55.825 0.00 0 239 D
|
||||
ATOM 6321 N N ? THR Dxp 13 ? 77.883 12.130 51.657 0.00 0 240 D
|
||||
ATOM 6326 O OG1 ? THR Dxp 13 ? 79.958 11.042 52.740 -1.88 0 240 D
|
||||
ATOM 6796 C CA ? CYS Dxp 78 ? 69.542 8.311 53.590 0.00 0 305 D
|
||||
ATOM 6797 C C ? CYS Dxp 78 ? 68.724 8.076 54.855 0.00 0 305 D
|
||||
ATOM 6799 C CB ? CYS Dxp 78 ? 70.448 9.520 53.784 0.00 0 305 D
|
||||
ATOM 6800 S SG ? CYS Dxp 78 ? 71.556 9.854 52.412 0.00 0 305 D
|
||||
ATOM 6808 N N ? ARG Dxp 80 ? 69.790 5.665 57.370 0.00 0 307 D
|
||||
ATOM 6809 C CA ? ARG Dxp 80 ? 70.653 4.828 58.237 0.00 0 307 D
|
||||
ATOM 6810 C C ? ARG Dxp 80 ? 71.220 5.582 59.456 0.00 0 307 D
|
||||
ATOM 6812 C CB ? ARG Dxp 80 ? 71.791 4.180 57.427 0.00 0 307 D
|
||||
ATOM 6813 N N ? GLU Dxp 81 ? 71.623 6.828 59.259 -1.09 0 308 D
|
||||
ATOM 6814 C CA ? GLU Dxp 81 ? 71.985 7.702 60.370 0.00 0 308 D
|
||||
ATOM 6815 C C ? GLU Dxp 81 ? 71.450 9.116 60.080 0.00 0 308 D
|
||||
ATOM 6816 O O ? GLU Dxp 81 ? 71.560 9.616 58.944 -1.07 0 308 D
|
||||
ATOM 6817 C CB ? GLU Dxp 81 ? 73.510 7.716 60.616 0.00 0 308 D
|
||||
ATOM 6828 O O ? PRO Dxp 83 ? 70.445 11.763 57.215 0.00 0 310 D
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 45:
|
||||
6 - Hydrophobicity Score : 16.8333
|
||||
7 - Polarity Score : 6
|
||||
8 - Amino Acid based volume Score : 6.1667
|
||||
9 - Pocket volume (Monte Carlo) : 226.0905
|
||||
9 - Pocket volume (Monte Carlo) : 227.8600
|
||||
10 -Pocket volume (convex hull) : 5.0153
|
||||
11 - Charge Score : 1
|
||||
12 - Local hydrophobic density Score : 0.0000
|
||||
@@ -39,20 +39,20 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 6081 N NE2 ? GLN Cxp 250 ? 31.091 58.611 24.841 0.00 0 477 C
|
||||
ATOM 6082 N N ? TRP Cxp 251 ? 31.055 59.150 19.729 -5.47 0 478 C
|
||||
ATOM 5924 N NH2 ? ARG Cxp 230 ? 30.697 55.437 19.403 -1.51 0 457 C
|
||||
ATOM 6080 O OE1 ? GLN Cxp 250 ? 29.834 60.326 24.154 0.00 0 477 C
|
||||
ATOM 6074 C CA ? GLN Cxp 250 ? 32.379 59.113 21.742 0.00 0 477 C
|
||||
ATOM 5921 N NE ? ARG Cxp 230 ? 31.782 53.819 20.650 0.00 0 457 C
|
||||
ATOM 6062 O O ? TRP Cxp 249 ? 32.766 56.467 20.988 0.00 0 476 C
|
||||
ATOM 5922 C CZ ? ARG Cxp 230 ? 30.891 54.164 19.712 0.00 0 457 C
|
||||
ATOM 6046 N NH1 ? ARG Cxp 246 ? 29.870 52.767 26.185 0.00 0 473 C
|
||||
ATOM 5919 C CG ? ARG Cxp 230 ? 31.165 51.942 22.165 0.00 0 457 C
|
||||
ATOM 5897 O O ? ASP Cxp 228 ? 27.520 51.100 21.048 -4.29 0 455 C
|
||||
ATOM 5900 O OD1 ? ASP Cxp 228 ? 25.663 55.032 19.468 -4.43 0 455 C
|
||||
ATOM 6086 C CB ? TRP Cxp 251 ? 29.388 59.027 17.928 0.00 0 478 C
|
||||
ATOM 5899 C CG ? ASP Cxp 228 ? 24.873 54.149 19.905 0.00 0 455 C
|
||||
ATOM 5898 C CB ? ASP Cxp 228 ? 25.435 52.789 20.167 0.00 0 455 C
|
||||
ATOM 6040 O O ? ARG Cxp 246 ? 33.857 56.728 24.949 -1.07 0 473 C
|
||||
ATOM 6081 N NE2 ? GLN Cxp 250 ? 31.091 58.611 24.841 0.00 0 477 C
|
||||
ATOM 6082 N N ? TRP Cxp 251 ? 31.055 59.150 19.729 -5.47 0 478 C
|
||||
ATOM 5924 N NH2 ? ARG Cxp 230 ? 30.697 55.437 19.403 -1.51 0 457 C
|
||||
ATOM 6080 O OE1 ? GLN Cxp 250 ? 29.834 60.326 24.154 0.00 0 477 C
|
||||
ATOM 6074 C CA ? GLN Cxp 250 ? 32.379 59.113 21.742 0.00 0 477 C
|
||||
ATOM 5921 N NE ? ARG Cxp 230 ? 31.782 53.819 20.650 0.00 0 457 C
|
||||
ATOM 6062 O O ? TRP Cxp 249 ? 32.766 56.467 20.988 0.00 0 476 C
|
||||
ATOM 5922 C CZ ? ARG Cxp 230 ? 30.891 54.164 19.712 0.00 0 457 C
|
||||
ATOM 6046 N NH1 ? ARG Cxp 246 ? 29.870 52.767 26.185 0.00 0 473 C
|
||||
ATOM 5919 C CG ? ARG Cxp 230 ? 31.165 51.942 22.165 0.00 0 457 C
|
||||
ATOM 5897 O O ? ASP Cxp 228 ? 27.520 51.100 21.048 -4.29 0 455 C
|
||||
ATOM 5900 O OD1 ? ASP Cxp 228 ? 25.663 55.032 19.468 -4.43 0 455 C
|
||||
ATOM 6086 C CB ? TRP Cxp 251 ? 29.388 59.027 17.928 0.00 0 478 C
|
||||
ATOM 5899 C CG ? ASP Cxp 228 ? 24.873 54.149 19.905 0.00 0 455 C
|
||||
ATOM 5898 C CB ? ASP Cxp 228 ? 25.435 52.789 20.167 0.00 0 455 C
|
||||
ATOM 6040 O O ? ARG Cxp 246 ? 33.857 56.728 24.949 -1.07 0 473 C
|
||||
#
|
||||
|
||||
@@ -17,38 +17,38 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 5895 C CA ? ASP Cxp 228 ? 26.647 52.457 19.266 0.00 0 455 C
|
||||
ATOM 5896 C C ? ASP Cxp 228 ? 27.334 51.195 19.832 0.00 0 455 C
|
||||
ATOM 5897 O O ? ASP Cxp 228 ? 27.520 51.100 21.048 -4.29 0 455 C
|
||||
ATOM 5898 C CB ? ASP Cxp 228 ? 25.435 52.789 20.167 0.00 0 455 C
|
||||
ATOM 5899 C CG ? ASP Cxp 228 ? 24.873 54.149 19.905 0.00 0 455 C
|
||||
ATOM 5900 O OD1 ? ASP Cxp 228 ? 25.663 55.032 19.468 -4.43 0 455 C
|
||||
ATOM 5901 O OD2 ? ASP Cxp 228 ? 23.644 54.346 20.153 -2.28 0 455 C
|
||||
ATOM 5919 C CG ? ARG Cxp 230 ? 31.165 51.942 22.165 0.00 0 457 C
|
||||
ATOM 5920 C CD ? ARG Cxp 230 ? 32.077 52.455 21.053 0.00 0 457 C
|
||||
ATOM 5921 N NE ? ARG Cxp 230 ? 31.782 53.819 20.650 0.00 0 457 C
|
||||
ATOM 5922 C CZ ? ARG Cxp 230 ? 30.891 54.164 19.712 0.00 0 457 C
|
||||
ATOM 5923 N NH1 ? ARG Cxp 230 ? 30.178 53.230 19.103 0.00 0 457 C
|
||||
ATOM 5924 N NH2 ? ARG Cxp 230 ? 30.697 55.437 19.403 -1.51 0 457 C
|
||||
ATOM 6038 C CA ? ARG Cxp 246 ? 34.516 54.928 26.303 0.00 0 473 C
|
||||
ATOM 6039 C C ? ARG Cxp 246 ? 34.420 56.375 25.966 0.00 0 473 C
|
||||
ATOM 6040 O O ? ARG Cxp 246 ? 33.857 56.728 24.949 -1.07 0 473 C
|
||||
ATOM 6041 C CB ? ARG Cxp 246 ? 33.428 54.604 27.314 0.00 0 473 C
|
||||
ATOM 6043 C CD ? ARG Cxp 246 ? 32.720 52.585 26.161 0.00 0 473 C
|
||||
ATOM 6044 N NE ? ARG Cxp 246 ? 31.783 51.488 26.363 0.00 0 473 C
|
||||
ATOM 6045 C CZ ? ARG Cxp 246 ? 30.460 51.606 26.387 0.00 0 473 C
|
||||
ATOM 6046 N NH1 ? ARG Cxp 246 ? 29.870 52.767 26.185 0.00 0 473 C
|
||||
ATOM 6061 C C ? TRP Cxp 249 ? 33.715 57.072 21.511 0.00 0 476 C
|
||||
ATOM 6062 O O ? TRP Cxp 249 ? 32.766 56.467 20.988 0.00 0 476 C
|
||||
ATOM 6063 C CB ? TRP Cxp 249 ? 34.935 54.880 21.786 0.00 0 476 C
|
||||
ATOM 6073 N N ? GLN Cxp 250 ? 33.578 58.306 22.016 0.00 0 477 C
|
||||
ATOM 6074 C CA ? GLN Cxp 250 ? 32.379 59.113 21.742 0.00 0 477 C
|
||||
ATOM 6075 C C ? GLN Cxp 250 ? 32.267 59.313 20.253 0.00 0 477 C
|
||||
ATOM 6077 C CB ? GLN Cxp 250 ? 32.446 60.499 22.399 0.00 0 477 C
|
||||
ATOM 6079 C CD ? GLN Cxp 250 ? 30.937 59.813 24.310 0.00 0 477 C
|
||||
ATOM 6080 O OE1 ? GLN Cxp 250 ? 29.834 60.326 24.154 0.00 0 477 C
|
||||
ATOM 6081 N NE2 ? GLN Cxp 250 ? 31.091 58.611 24.841 0.00 0 477 C
|
||||
ATOM 6082 N N ? TRP Cxp 251 ? 31.055 59.150 19.729 -5.47 0 478 C
|
||||
ATOM 6083 C CA ? TRP Cxp 251 ? 30.842 59.327 18.303 0.00 0 478 C
|
||||
ATOM 6086 C CB ? TRP Cxp 251 ? 29.388 59.027 17.928 0.00 0 478 C
|
||||
ATOM 5895 C CA ? ASP Cxp 228 ? 26.647 52.457 19.266 0.00 0 455 C
|
||||
ATOM 5896 C C ? ASP Cxp 228 ? 27.334 51.195 19.832 0.00 0 455 C
|
||||
ATOM 5897 O O ? ASP Cxp 228 ? 27.520 51.100 21.048 -4.29 0 455 C
|
||||
ATOM 5898 C CB ? ASP Cxp 228 ? 25.435 52.789 20.167 0.00 0 455 C
|
||||
ATOM 5899 C CG ? ASP Cxp 228 ? 24.873 54.149 19.905 0.00 0 455 C
|
||||
ATOM 5900 O OD1 ? ASP Cxp 228 ? 25.663 55.032 19.468 -4.43 0 455 C
|
||||
ATOM 5901 O OD2 ? ASP Cxp 228 ? 23.644 54.346 20.153 -2.28 0 455 C
|
||||
ATOM 5919 C CG ? ARG Cxp 230 ? 31.165 51.942 22.165 0.00 0 457 C
|
||||
ATOM 5920 C CD ? ARG Cxp 230 ? 32.077 52.455 21.053 0.00 0 457 C
|
||||
ATOM 5921 N NE ? ARG Cxp 230 ? 31.782 53.819 20.650 0.00 0 457 C
|
||||
ATOM 5922 C CZ ? ARG Cxp 230 ? 30.891 54.164 19.712 0.00 0 457 C
|
||||
ATOM 5923 N NH1 ? ARG Cxp 230 ? 30.178 53.230 19.103 0.00 0 457 C
|
||||
ATOM 5924 N NH2 ? ARG Cxp 230 ? 30.697 55.437 19.403 -1.51 0 457 C
|
||||
ATOM 6038 C CA ? ARG Cxp 246 ? 34.516 54.928 26.303 0.00 0 473 C
|
||||
ATOM 6039 C C ? ARG Cxp 246 ? 34.420 56.375 25.966 0.00 0 473 C
|
||||
ATOM 6040 O O ? ARG Cxp 246 ? 33.857 56.728 24.949 -1.07 0 473 C
|
||||
ATOM 6041 C CB ? ARG Cxp 246 ? 33.428 54.604 27.314 0.00 0 473 C
|
||||
ATOM 6043 C CD ? ARG Cxp 246 ? 32.720 52.585 26.161 0.00 0 473 C
|
||||
ATOM 6044 N NE ? ARG Cxp 246 ? 31.783 51.488 26.363 0.00 0 473 C
|
||||
ATOM 6045 C CZ ? ARG Cxp 246 ? 30.460 51.606 26.387 0.00 0 473 C
|
||||
ATOM 6046 N NH1 ? ARG Cxp 246 ? 29.870 52.767 26.185 0.00 0 473 C
|
||||
ATOM 6061 C C ? TRP Cxp 249 ? 33.715 57.072 21.511 0.00 0 476 C
|
||||
ATOM 6062 O O ? TRP Cxp 249 ? 32.766 56.467 20.988 0.00 0 476 C
|
||||
ATOM 6063 C CB ? TRP Cxp 249 ? 34.935 54.880 21.786 0.00 0 476 C
|
||||
ATOM 6073 N N ? GLN Cxp 250 ? 33.578 58.306 22.016 0.00 0 477 C
|
||||
ATOM 6074 C CA ? GLN Cxp 250 ? 32.379 59.113 21.742 0.00 0 477 C
|
||||
ATOM 6075 C C ? GLN Cxp 250 ? 32.267 59.313 20.253 0.00 0 477 C
|
||||
ATOM 6077 C CB ? GLN Cxp 250 ? 32.446 60.499 22.399 0.00 0 477 C
|
||||
ATOM 6079 C CD ? GLN Cxp 250 ? 30.937 59.813 24.310 0.00 0 477 C
|
||||
ATOM 6080 O OE1 ? GLN Cxp 250 ? 29.834 60.326 24.154 0.00 0 477 C
|
||||
ATOM 6081 N NE2 ? GLN Cxp 250 ? 31.091 58.611 24.841 0.00 0 477 C
|
||||
ATOM 6082 N N ? TRP Cxp 251 ? 31.055 59.150 19.729 -5.47 0 478 C
|
||||
ATOM 6083 C CA ? TRP Cxp 251 ? 30.842 59.327 18.303 0.00 0 478 C
|
||||
ATOM 6086 C CB ? TRP Cxp 251 ? 29.388 59.027 17.928 0.00 0 478 C
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 46:
|
||||
6 - Hydrophobicity Score : 32.0000
|
||||
7 - Polarity Score : 6
|
||||
8 - Amino Acid based volume Score : 4.2500
|
||||
9 - Pocket volume (Monte Carlo) : 367.4130
|
||||
9 - Pocket volume (Monte Carlo) : 365.4403
|
||||
10 -Pocket volume (convex hull) : 42.9375
|
||||
11 - Charge Score : 1
|
||||
12 - Local hydrophobic density Score : 4.0000
|
||||
@@ -39,30 +39,30 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 3384 C CZ ? PHE Bxp 174 ? 14.646 45.110 33.701 0.00 0 401 B
|
||||
ATOM 3100 N NH1 ? ARG Bxp 135 ? 10.479 49.242 35.166 0.00 0 362 B
|
||||
ATOM 3101 N NH2 ? ARG Bxp 135 ? 8.718 47.763 35.554 -1.01 0 362 B
|
||||
ATOM 3503 C CE1 ? PHE Bxp 189 ? 11.607 44.281 36.188 0.00 0 416 B
|
||||
ATOM 3485 O O ? ASN Bxp 187 ? 8.494 42.697 34.760 -1.88 0 414 B
|
||||
ATOM 3486 C CB ? ASN Bxp 187 ? 10.069 41.398 32.733 0.00 0 414 B
|
||||
ATOM 3488 O OD1 ? ASN Bxp 187 ? 12.383 40.631 32.241 -1.07 0 414 B
|
||||
ATOM 3347 N ND1 ? HIS Bxp 169 ? 15.399 41.864 29.978 -2.19 0 396 B
|
||||
ATOM 3349 C CE1 ? HIS Bxp 169 ? 14.459 40.980 29.690 0.00 0 396 B
|
||||
ATOM 3487 C CG ? ASN Bxp 187 ? 11.180 40.674 31.870 0.00 0 414 B
|
||||
ATOM 1367 O O ? ALA Axp 185 ? 11.392 41.160 27.885 0.00 0 412 A
|
||||
ATOM 3364 C CB ? ALA Bxp 172 ? 15.959 47.081 30.587 0.00 0 399 B
|
||||
ATOM 1376 C CD2 ? TYR Axp 186 ? 8.373 42.814 26.824 0.00 0 413 A
|
||||
ATOM 1378 C CE2 ? TYR Axp 186 ? 8.638 44.185 26.538 0.00 0 413 A
|
||||
ATOM 3382 C CE1 ? PHE Bxp 174 ? 15.273 43.909 33.319 0.00 0 401 B
|
||||
ATOM 3354 O O ? ALA Bxp 170 ? 15.548 45.380 26.780 0.00 0 397 B
|
||||
ATOM 3344 O O ? HIS Bxp 169 ? 16.987 44.273 29.044 0.00 0 396 B
|
||||
ATOM 3360 N N ? ALA Bxp 172 ? 17.214 47.003 28.401 0.00 0 399 B
|
||||
ATOM 3358 C C ? GLY Bxp 171 ? 17.637 47.751 27.365 0.00 0 398 B
|
||||
ATOM 1704 O OE2 ? GLU Axp 226 ? 13.795 49.067 21.782 -0.14 0 453 A
|
||||
ATOM 1380 O OH ? TYR Axp 186 ? 9.044 45.902 24.895 0.00 0 413 A
|
||||
ATOM 1670 O OH ? TYR Axp 222 ? 13.311 44.900 22.966 -3.21 0 449 A
|
||||
ATOM 1368 C CB ? ALA Axp 185 ? 12.114 42.514 24.956 0.00 0 412 A
|
||||
ATOM 1703 O OE1 ? GLU Axp 226 ? 15.852 48.909 22.593 -1.88 0 453 A
|
||||
ATOM 3357 C CA ? GLY Bxp 171 ? 17.630 47.061 26.020 0.00 0 398 B
|
||||
ATOM 3359 O O ? GLY Bxp 171 ? 18.014 48.939 27.448 0.00 0 398 B
|
||||
ATOM 3384 C CZ ? PHE Bxp 174 ? 14.646 45.110 33.701 0.00 0 401 B
|
||||
ATOM 3100 N NH1 ? ARG Bxp 135 ? 10.479 49.242 35.166 0.00 0 362 B
|
||||
ATOM 3101 N NH2 ? ARG Bxp 135 ? 8.718 47.763 35.554 -1.01 0 362 B
|
||||
ATOM 3503 C CE1 ? PHE Bxp 189 ? 11.607 44.281 36.188 0.00 0 416 B
|
||||
ATOM 3485 O O ? ASN Bxp 187 ? 8.494 42.697 34.760 -1.88 0 414 B
|
||||
ATOM 3486 C CB ? ASN Bxp 187 ? 10.069 41.398 32.733 0.00 0 414 B
|
||||
ATOM 3488 O OD1 ? ASN Bxp 187 ? 12.383 40.631 32.241 -1.07 0 414 B
|
||||
ATOM 3347 N ND1 ? HIS Bxp 169 ? 15.399 41.864 29.978 -2.19 0 396 B
|
||||
ATOM 3349 C CE1 ? HIS Bxp 169 ? 14.459 40.980 29.690 0.00 0 396 B
|
||||
ATOM 3487 C CG ? ASN Bxp 187 ? 11.180 40.674 31.870 0.00 0 414 B
|
||||
ATOM 1367 O O ? ALA Axp 185 ? 11.392 41.160 27.885 0.00 0 412 A
|
||||
ATOM 3364 C CB ? ALA Bxp 172 ? 15.959 47.081 30.587 0.00 0 399 B
|
||||
ATOM 1376 C CD2 ? TYR Axp 186 ? 8.373 42.814 26.824 0.00 0 413 A
|
||||
ATOM 1378 C CE2 ? TYR Axp 186 ? 8.638 44.185 26.538 0.00 0 413 A
|
||||
ATOM 3382 C CE1 ? PHE Bxp 174 ? 15.273 43.909 33.319 0.00 0 401 B
|
||||
ATOM 3354 O O ? ALA Bxp 170 ? 15.548 45.380 26.780 0.00 0 397 B
|
||||
ATOM 3344 O O ? HIS Bxp 169 ? 16.987 44.273 29.044 0.00 0 396 B
|
||||
ATOM 3360 N N ? ALA Bxp 172 ? 17.214 47.003 28.401 0.00 0 399 B
|
||||
ATOM 3358 C C ? GLY Bxp 171 ? 17.637 47.751 27.365 0.00 0 398 B
|
||||
ATOM 1704 O OE2 ? GLU Axp 226 ? 13.795 49.067 21.782 -0.14 0 453 A
|
||||
ATOM 1380 O OH ? TYR Axp 186 ? 9.044 45.902 24.895 0.00 0 413 A
|
||||
ATOM 1670 O OH ? TYR Axp 222 ? 13.311 44.900 22.966 -3.21 0 449 A
|
||||
ATOM 1368 C CB ? ALA Axp 185 ? 12.114 42.514 24.956 0.00 0 412 A
|
||||
ATOM 1703 O OE1 ? GLU Axp 226 ? 15.852 48.909 22.593 -1.88 0 453 A
|
||||
ATOM 3357 C CA ? GLY Bxp 171 ? 17.630 47.061 26.020 0.00 0 398 B
|
||||
ATOM 3359 O O ? GLY Bxp 171 ? 18.014 48.939 27.448 0.00 0 398 B
|
||||
#
|
||||
|
||||
@@ -17,48 +17,48 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 1365 C CA ? ALA Axp 185 ? 12.527 41.252 25.793 0.00 0 412 A
|
||||
ATOM 1366 C C ? ALA Axp 185 ? 11.392 40.791 26.706 0.00 0 412 A
|
||||
ATOM 1367 O O ? ALA Axp 185 ? 11.392 41.160 27.885 0.00 0 412 A
|
||||
ATOM 1368 C CB ? ALA Axp 185 ? 12.114 42.514 24.956 0.00 0 412 A
|
||||
ATOM 1376 C CD2 ? TYR Axp 186 ? 8.373 42.814 26.824 0.00 0 413 A
|
||||
ATOM 1378 C CE2 ? TYR Axp 186 ? 8.638 44.185 26.538 0.00 0 413 A
|
||||
ATOM 1379 C CZ ? TYR Axp 186 ? 8.799 44.572 25.212 0.00 0 413 A
|
||||
ATOM 1380 O OH ? TYR Axp 186 ? 9.044 45.902 24.895 0.00 0 413 A
|
||||
ATOM 1668 C CE2 ? TYR Axp 222 ? 15.680 45.404 23.162 0.00 0 449 A
|
||||
ATOM 1669 C CZ ? TYR Axp 222 ? 14.664 44.476 22.986 0.00 0 449 A
|
||||
ATOM 1670 O OH ? TYR Axp 222 ? 13.311 44.900 22.966 -3.21 0 449 A
|
||||
ATOM 1702 C CD ? GLU Axp 226 ? 15.052 49.035 21.618 0.00 0 453 A
|
||||
ATOM 1703 O OE1 ? GLU Axp 226 ? 15.852 48.909 22.593 -1.88 0 453 A
|
||||
ATOM 1704 O OE2 ? GLU Axp 226 ? 13.795 49.067 21.782 -0.14 0 453 A
|
||||
ATOM 3099 C CZ ? ARG Bxp 135 ? 9.680 48.564 36.008 0.00 0 362 B
|
||||
ATOM 3100 N NH1 ? ARG Bxp 135 ? 10.479 49.242 35.166 0.00 0 362 B
|
||||
ATOM 3101 N NH2 ? ARG Bxp 135 ? 8.718 47.763 35.554 -1.01 0 362 B
|
||||
ATOM 3343 C C ? HIS Bxp 169 ? 17.666 43.282 28.628 0.00 0 396 B
|
||||
ATOM 3344 O O ? HIS Bxp 169 ? 16.987 44.273 29.044 0.00 0 396 B
|
||||
ATOM 3347 N ND1 ? HIS Bxp 169 ? 15.399 41.864 29.978 -2.19 0 396 B
|
||||
ATOM 3349 C CE1 ? HIS Bxp 169 ? 14.459 40.980 29.690 0.00 0 396 B
|
||||
ATOM 3353 C C ? ALA Bxp 170 ? 16.618 44.867 26.428 0.00 0 397 B
|
||||
ATOM 3354 O O ? ALA Bxp 170 ? 15.548 45.380 26.780 0.00 0 397 B
|
||||
ATOM 3355 C CB ? ALA Bxp 170 ? 15.447 42.648 26.503 0.00 0 397 B
|
||||
ATOM 3356 N N ? GLY Bxp 171 ? 17.695 45.590 26.124 0.00 0 398 B
|
||||
ATOM 3357 C CA ? GLY Bxp 171 ? 17.630 47.061 26.020 0.00 0 398 B
|
||||
ATOM 3358 C C ? GLY Bxp 171 ? 17.637 47.751 27.365 0.00 0 398 B
|
||||
ATOM 3359 O O ? GLY Bxp 171 ? 18.014 48.939 27.448 0.00 0 398 B
|
||||
ATOM 3360 N N ? ALA Bxp 172 ? 17.214 47.003 28.401 0.00 0 399 B
|
||||
ATOM 3361 C CA ? ALA Bxp 172 ? 17.272 47.417 29.833 0.00 0 399 B
|
||||
ATOM 3364 C CB ? ALA Bxp 172 ? 15.959 47.081 30.587 0.00 0 399 B
|
||||
ATOM 3382 C CE1 ? PHE Bxp 174 ? 15.273 43.909 33.319 0.00 0 401 B
|
||||
ATOM 3383 C CE2 ? PHE Bxp 174 ? 15.221 45.900 34.664 0.00 0 401 B
|
||||
ATOM 3384 C CZ ? PHE Bxp 174 ? 14.646 45.110 33.701 0.00 0 401 B
|
||||
ATOM 3483 C CA ? ASN Bxp 187 ? 10.017 40.881 34.189 0.00 0 414 B
|
||||
ATOM 3484 C C ? ASN Bxp 187 ? 8.902 41.558 35.032 0.00 0 414 B
|
||||
ATOM 3485 O O ? ASN Bxp 187 ? 8.494 42.697 34.760 -1.88 0 414 B
|
||||
ATOM 3486 C CB ? ASN Bxp 187 ? 10.069 41.398 32.733 0.00 0 414 B
|
||||
ATOM 3487 C CG ? ASN Bxp 187 ? 11.180 40.674 31.870 0.00 0 414 B
|
||||
ATOM 3488 O OD1 ? ASN Bxp 187 ? 12.383 40.631 32.241 -1.07 0 414 B
|
||||
ATOM 3489 N ND2 ? ASN Bxp 187 ? 10.757 40.091 30.728 -2.19 0 414 B
|
||||
ATOM 3501 C CD1 ? PHE Bxp 189 ? 10.366 44.594 36.738 0.00 0 416 B
|
||||
ATOM 3503 C CE1 ? PHE Bxp 189 ? 11.607 44.281 36.188 0.00 0 416 B
|
||||
ATOM 3505 C CZ ? PHE Bxp 189 ? 12.791 44.477 36.970 0.00 0 416 B
|
||||
ATOM 1365 C CA ? ALA Axp 185 ? 12.527 41.252 25.793 0.00 0 412 A
|
||||
ATOM 1366 C C ? ALA Axp 185 ? 11.392 40.791 26.706 0.00 0 412 A
|
||||
ATOM 1367 O O ? ALA Axp 185 ? 11.392 41.160 27.885 0.00 0 412 A
|
||||
ATOM 1368 C CB ? ALA Axp 185 ? 12.114 42.514 24.956 0.00 0 412 A
|
||||
ATOM 1376 C CD2 ? TYR Axp 186 ? 8.373 42.814 26.824 0.00 0 413 A
|
||||
ATOM 1378 C CE2 ? TYR Axp 186 ? 8.638 44.185 26.538 0.00 0 413 A
|
||||
ATOM 1379 C CZ ? TYR Axp 186 ? 8.799 44.572 25.212 0.00 0 413 A
|
||||
ATOM 1380 O OH ? TYR Axp 186 ? 9.044 45.902 24.895 0.00 0 413 A
|
||||
ATOM 1668 C CE2 ? TYR Axp 222 ? 15.680 45.404 23.162 0.00 0 449 A
|
||||
ATOM 1669 C CZ ? TYR Axp 222 ? 14.664 44.476 22.986 0.00 0 449 A
|
||||
ATOM 1670 O OH ? TYR Axp 222 ? 13.311 44.900 22.966 -3.21 0 449 A
|
||||
ATOM 1702 C CD ? GLU Axp 226 ? 15.052 49.035 21.618 0.00 0 453 A
|
||||
ATOM 1703 O OE1 ? GLU Axp 226 ? 15.852 48.909 22.593 -1.88 0 453 A
|
||||
ATOM 1704 O OE2 ? GLU Axp 226 ? 13.795 49.067 21.782 -0.14 0 453 A
|
||||
ATOM 3099 C CZ ? ARG Bxp 135 ? 9.680 48.564 36.008 0.00 0 362 B
|
||||
ATOM 3100 N NH1 ? ARG Bxp 135 ? 10.479 49.242 35.166 0.00 0 362 B
|
||||
ATOM 3101 N NH2 ? ARG Bxp 135 ? 8.718 47.763 35.554 -1.01 0 362 B
|
||||
ATOM 3343 C C ? HIS Bxp 169 ? 17.666 43.282 28.628 0.00 0 396 B
|
||||
ATOM 3344 O O ? HIS Bxp 169 ? 16.987 44.273 29.044 0.00 0 396 B
|
||||
ATOM 3347 N ND1 ? HIS Bxp 169 ? 15.399 41.864 29.978 -2.19 0 396 B
|
||||
ATOM 3349 C CE1 ? HIS Bxp 169 ? 14.459 40.980 29.690 0.00 0 396 B
|
||||
ATOM 3353 C C ? ALA Bxp 170 ? 16.618 44.867 26.428 0.00 0 397 B
|
||||
ATOM 3354 O O ? ALA Bxp 170 ? 15.548 45.380 26.780 0.00 0 397 B
|
||||
ATOM 3355 C CB ? ALA Bxp 170 ? 15.447 42.648 26.503 0.00 0 397 B
|
||||
ATOM 3356 N N ? GLY Bxp 171 ? 17.695 45.590 26.124 0.00 0 398 B
|
||||
ATOM 3357 C CA ? GLY Bxp 171 ? 17.630 47.061 26.020 0.00 0 398 B
|
||||
ATOM 3358 C C ? GLY Bxp 171 ? 17.637 47.751 27.365 0.00 0 398 B
|
||||
ATOM 3359 O O ? GLY Bxp 171 ? 18.014 48.939 27.448 0.00 0 398 B
|
||||
ATOM 3360 N N ? ALA Bxp 172 ? 17.214 47.003 28.401 0.00 0 399 B
|
||||
ATOM 3361 C CA ? ALA Bxp 172 ? 17.272 47.417 29.833 0.00 0 399 B
|
||||
ATOM 3364 C CB ? ALA Bxp 172 ? 15.959 47.081 30.587 0.00 0 399 B
|
||||
ATOM 3382 C CE1 ? PHE Bxp 174 ? 15.273 43.909 33.319 0.00 0 401 B
|
||||
ATOM 3383 C CE2 ? PHE Bxp 174 ? 15.221 45.900 34.664 0.00 0 401 B
|
||||
ATOM 3384 C CZ ? PHE Bxp 174 ? 14.646 45.110 33.701 0.00 0 401 B
|
||||
ATOM 3483 C CA ? ASN Bxp 187 ? 10.017 40.881 34.189 0.00 0 414 B
|
||||
ATOM 3484 C C ? ASN Bxp 187 ? 8.902 41.558 35.032 0.00 0 414 B
|
||||
ATOM 3485 O O ? ASN Bxp 187 ? 8.494 42.697 34.760 -1.88 0 414 B
|
||||
ATOM 3486 C CB ? ASN Bxp 187 ? 10.069 41.398 32.733 0.00 0 414 B
|
||||
ATOM 3487 C CG ? ASN Bxp 187 ? 11.180 40.674 31.870 0.00 0 414 B
|
||||
ATOM 3488 O OD1 ? ASN Bxp 187 ? 12.383 40.631 32.241 -1.07 0 414 B
|
||||
ATOM 3489 N ND2 ? ASN Bxp 187 ? 10.757 40.091 30.728 -2.19 0 414 B
|
||||
ATOM 3501 C CD1 ? PHE Bxp 189 ? 10.366 44.594 36.738 0.00 0 416 B
|
||||
ATOM 3503 C CE1 ? PHE Bxp 189 ? 11.607 44.281 36.188 0.00 0 416 B
|
||||
ATOM 3505 C CZ ? PHE Bxp 189 ? 12.791 44.477 36.970 0.00 0 416 B
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 47:
|
||||
6 - Hydrophobicity Score : 16.8333
|
||||
7 - Polarity Score : 6
|
||||
8 - Amino Acid based volume Score : 6.1667
|
||||
9 - Pocket volume (Monte Carlo) : 236.5735
|
||||
9 - Pocket volume (Monte Carlo) : 231.1839
|
||||
10 -Pocket volume (convex hull) : 5.7464
|
||||
11 - Charge Score : 1
|
||||
12 - Local hydrophobic density Score : 1.0000
|
||||
@@ -39,20 +39,20 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 8180 N N ? TRP Dxp 251 ? 28.739 15.556 41.119 -4.37 0 478 D
|
||||
ATOM 8178 O OE1 ? GLN Dxp 250 ? 27.483 14.463 37.031 -1.21 0 477 D
|
||||
ATOM 8019 N NH2 ? ARG Dxp 230 ? 28.652 19.180 41.632 0.00 0 457 D
|
||||
ATOM 8172 C CA ? GLN Dxp 250 ? 30.091 15.426 39.094 0.00 0 477 D
|
||||
ATOM 8179 N NE2 ? GLN Dxp 250 ? 28.626 15.773 35.556 0.00 0 477 D
|
||||
ATOM 8160 O O ? TRP Dxp 249 ? 30.795 17.904 40.024 0.00 0 476 D
|
||||
ATOM 8016 N NE ? ARG Dxp 230 ? 29.923 20.631 40.375 -1.09 0 457 D
|
||||
ATOM 8144 N NH1 ? ARG Dxp 246 ? 28.330 22.273 34.849 0.00 0 473 D
|
||||
ATOM 8017 C CZ ? ARG Dxp 230 ? 29.005 20.440 41.332 0.00 0 457 D
|
||||
ATOM 8014 C CG ? ARG Dxp 230 ? 29.589 22.666 38.965 0.00 0 457 D
|
||||
ATOM 8138 O O ? ARG Dxp 246 ? 31.809 17.734 36.185 -1.07 0 473 D
|
||||
ATOM 7995 O OD1 ? ASP Dxp 228 ? 23.937 20.166 41.574 0.00 0 455 D
|
||||
ATOM 8184 C CB ? TRP Dxp 251 ? 27.124 15.802 42.940 0.00 0 478 D
|
||||
ATOM 7993 C CB ? ASP Dxp 228 ? 23.909 22.355 40.719 0.00 0 455 D
|
||||
ATOM 7994 C CG ? ASP Dxp 228 ? 23.230 21.073 41.099 0.00 0 455 D
|
||||
ATOM 7992 O O ? ASP Dxp 228 ? 25.989 24.005 39.797 -2.14 0 455 D
|
||||
ATOM 8180 N N ? TRP Dxp 251 ? 28.739 15.556 41.119 -4.37 0 478 D
|
||||
ATOM 8178 O OE1 ? GLN Dxp 250 ? 27.483 14.463 37.031 -1.21 0 477 D
|
||||
ATOM 8019 N NH2 ? ARG Dxp 230 ? 28.652 19.180 41.632 0.00 0 457 D
|
||||
ATOM 8172 C CA ? GLN Dxp 250 ? 30.091 15.426 39.094 0.00 0 477 D
|
||||
ATOM 8179 N NE2 ? GLN Dxp 250 ? 28.626 15.773 35.556 0.00 0 477 D
|
||||
ATOM 8160 O O ? TRP Dxp 249 ? 30.795 17.904 40.024 0.00 0 476 D
|
||||
ATOM 8016 N NE ? ARG Dxp 230 ? 29.923 20.631 40.375 -1.09 0 457 D
|
||||
ATOM 8144 N NH1 ? ARG Dxp 246 ? 28.330 22.273 34.849 0.00 0 473 D
|
||||
ATOM 8017 C CZ ? ARG Dxp 230 ? 29.005 20.440 41.332 0.00 0 457 D
|
||||
ATOM 8014 C CG ? ARG Dxp 230 ? 29.589 22.666 38.965 0.00 0 457 D
|
||||
ATOM 8138 O O ? ARG Dxp 246 ? 31.809 17.734 36.185 -1.07 0 473 D
|
||||
ATOM 7995 O OD1 ? ASP Dxp 228 ? 23.937 20.166 41.574 0.00 0 455 D
|
||||
ATOM 8184 C CB ? TRP Dxp 251 ? 27.124 15.802 42.940 0.00 0 478 D
|
||||
ATOM 7993 C CB ? ASP Dxp 228 ? 23.909 22.355 40.719 0.00 0 455 D
|
||||
ATOM 7994 C CG ? ASP Dxp 228 ? 23.230 21.073 41.099 0.00 0 455 D
|
||||
ATOM 7992 O O ? ASP Dxp 228 ? 25.989 24.005 39.797 -2.14 0 455 D
|
||||
#
|
||||
|
||||
@@ -17,39 +17,39 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 7990 C CA ? ASP Dxp 228 ? 25.068 22.711 41.653 0.00 0 455 D
|
||||
ATOM 7991 C C ? ASP Dxp 228 ? 25.867 23.894 41.038 0.00 0 455 D
|
||||
ATOM 7992 O O ? ASP Dxp 228 ? 25.989 24.005 39.797 -2.14 0 455 D
|
||||
ATOM 7993 C CB ? ASP Dxp 228 ? 23.909 22.355 40.719 0.00 0 455 D
|
||||
ATOM 7994 C CG ? ASP Dxp 228 ? 23.230 21.073 41.099 0.00 0 455 D
|
||||
ATOM 7995 O OD1 ? ASP Dxp 228 ? 23.937 20.166 41.574 0.00 0 455 D
|
||||
ATOM 7996 O OD2 ? ASP Dxp 228 ? 21.973 20.977 40.980 0.00 0 455 D
|
||||
ATOM 8014 C CG ? ARG Dxp 230 ? 29.589 22.666 38.965 0.00 0 457 D
|
||||
ATOM 8015 C CD ? ARG Dxp 230 ? 30.466 21.926 39.894 0.00 0 457 D
|
||||
ATOM 8016 N NE ? ARG Dxp 230 ? 29.923 20.631 40.375 -1.09 0 457 D
|
||||
ATOM 8017 C CZ ? ARG Dxp 230 ? 29.005 20.440 41.332 0.00 0 457 D
|
||||
ATOM 8018 N NH1 ? ARG Dxp 230 ? 28.421 21.481 41.969 0.00 0 457 D
|
||||
ATOM 8019 N NH2 ? ARG Dxp 230 ? 28.652 19.180 41.632 0.00 0 457 D
|
||||
ATOM 8136 C CA ? ARG Dxp 246 ? 32.491 19.430 34.606 0.00 0 473 D
|
||||
ATOM 8137 C C ? ARG Dxp 246 ? 32.347 17.982 35.077 0.00 0 473 D
|
||||
ATOM 8138 O O ? ARG Dxp 246 ? 31.809 17.734 36.185 -1.07 0 473 D
|
||||
ATOM 8139 C CB ? ARG Dxp 246 ? 31.363 19.756 33.630 0.00 0 473 D
|
||||
ATOM 8140 C CG ? ARG Dxp 246 ? 31.207 21.192 33.434 0.00 0 473 D
|
||||
ATOM 8141 C CD ? ARG Dxp 246 ? 31.167 21.798 34.809 0.00 0 473 D
|
||||
ATOM 8142 N NE ? ARG Dxp 246 ? 30.503 23.078 34.713 0.00 0 473 D
|
||||
ATOM 8143 C CZ ? ARG Dxp 246 ? 29.189 23.275 34.707 0.00 0 473 D
|
||||
ATOM 8144 N NH1 ? ARG Dxp 246 ? 28.330 22.273 34.849 0.00 0 473 D
|
||||
ATOM 8159 C C ? TRP Dxp 249 ? 31.650 17.274 39.388 0.00 0 476 D
|
||||
ATOM 8160 O O ? TRP Dxp 249 ? 30.795 17.904 40.024 0.00 0 476 D
|
||||
ATOM 8161 C CB ? TRP Dxp 249 ? 33.047 19.385 39.024 0.00 0 476 D
|
||||
ATOM 8171 N N ? GLN Dxp 250 ? 31.385 16.077 38.860 0.00 0 477 D
|
||||
ATOM 8172 C CA ? GLN Dxp 250 ? 30.091 15.426 39.094 0.00 0 477 D
|
||||
ATOM 8173 C C ? GLN Dxp 250 ? 29.914 15.244 40.586 0.00 0 477 D
|
||||
ATOM 8175 C CB ? GLN Dxp 250 ? 29.995 14.061 38.378 0.00 0 477 D
|
||||
ATOM 8177 C CD ? GLN Dxp 250 ? 28.550 14.796 36.486 0.00 0 477 D
|
||||
ATOM 8178 O OE1 ? GLN Dxp 250 ? 27.483 14.463 37.031 -1.21 0 477 D
|
||||
ATOM 8179 N NE2 ? GLN Dxp 250 ? 28.626 15.773 35.556 0.00 0 477 D
|
||||
ATOM 8180 N N ? TRP Dxp 251 ? 28.739 15.556 41.119 -4.37 0 478 D
|
||||
ATOM 8181 C CA ? TRP Dxp 251 ? 28.564 15.418 42.557 0.00 0 478 D
|
||||
ATOM 8184 C CB ? TRP Dxp 251 ? 27.124 15.802 42.940 0.00 0 478 D
|
||||
ATOM 7990 C CA ? ASP Dxp 228 ? 25.068 22.711 41.653 0.00 0 455 D
|
||||
ATOM 7991 C C ? ASP Dxp 228 ? 25.867 23.894 41.038 0.00 0 455 D
|
||||
ATOM 7992 O O ? ASP Dxp 228 ? 25.989 24.005 39.797 -2.14 0 455 D
|
||||
ATOM 7993 C CB ? ASP Dxp 228 ? 23.909 22.355 40.719 0.00 0 455 D
|
||||
ATOM 7994 C CG ? ASP Dxp 228 ? 23.230 21.073 41.099 0.00 0 455 D
|
||||
ATOM 7995 O OD1 ? ASP Dxp 228 ? 23.937 20.166 41.574 0.00 0 455 D
|
||||
ATOM 7996 O OD2 ? ASP Dxp 228 ? 21.973 20.977 40.980 0.00 0 455 D
|
||||
ATOM 8014 C CG ? ARG Dxp 230 ? 29.589 22.666 38.965 0.00 0 457 D
|
||||
ATOM 8015 C CD ? ARG Dxp 230 ? 30.466 21.926 39.894 0.00 0 457 D
|
||||
ATOM 8016 N NE ? ARG Dxp 230 ? 29.923 20.631 40.375 -1.09 0 457 D
|
||||
ATOM 8017 C CZ ? ARG Dxp 230 ? 29.005 20.440 41.332 0.00 0 457 D
|
||||
ATOM 8018 N NH1 ? ARG Dxp 230 ? 28.421 21.481 41.969 0.00 0 457 D
|
||||
ATOM 8019 N NH2 ? ARG Dxp 230 ? 28.652 19.180 41.632 0.00 0 457 D
|
||||
ATOM 8136 C CA ? ARG Dxp 246 ? 32.491 19.430 34.606 0.00 0 473 D
|
||||
ATOM 8137 C C ? ARG Dxp 246 ? 32.347 17.982 35.077 0.00 0 473 D
|
||||
ATOM 8138 O O ? ARG Dxp 246 ? 31.809 17.734 36.185 -1.07 0 473 D
|
||||
ATOM 8139 C CB ? ARG Dxp 246 ? 31.363 19.756 33.630 0.00 0 473 D
|
||||
ATOM 8140 C CG ? ARG Dxp 246 ? 31.207 21.192 33.434 0.00 0 473 D
|
||||
ATOM 8141 C CD ? ARG Dxp 246 ? 31.167 21.798 34.809 0.00 0 473 D
|
||||
ATOM 8142 N NE ? ARG Dxp 246 ? 30.503 23.078 34.713 0.00 0 473 D
|
||||
ATOM 8143 C CZ ? ARG Dxp 246 ? 29.189 23.275 34.707 0.00 0 473 D
|
||||
ATOM 8144 N NH1 ? ARG Dxp 246 ? 28.330 22.273 34.849 0.00 0 473 D
|
||||
ATOM 8159 C C ? TRP Dxp 249 ? 31.650 17.274 39.388 0.00 0 476 D
|
||||
ATOM 8160 O O ? TRP Dxp 249 ? 30.795 17.904 40.024 0.00 0 476 D
|
||||
ATOM 8161 C CB ? TRP Dxp 249 ? 33.047 19.385 39.024 0.00 0 476 D
|
||||
ATOM 8171 N N ? GLN Dxp 250 ? 31.385 16.077 38.860 0.00 0 477 D
|
||||
ATOM 8172 C CA ? GLN Dxp 250 ? 30.091 15.426 39.094 0.00 0 477 D
|
||||
ATOM 8173 C C ? GLN Dxp 250 ? 29.914 15.244 40.586 0.00 0 477 D
|
||||
ATOM 8175 C CB ? GLN Dxp 250 ? 29.995 14.061 38.378 0.00 0 477 D
|
||||
ATOM 8177 C CD ? GLN Dxp 250 ? 28.550 14.796 36.486 0.00 0 477 D
|
||||
ATOM 8178 O OE1 ? GLN Dxp 250 ? 27.483 14.463 37.031 -1.21 0 477 D
|
||||
ATOM 8179 N NE2 ? GLN Dxp 250 ? 28.626 15.773 35.556 0.00 0 477 D
|
||||
ATOM 8180 N N ? TRP Dxp 251 ? 28.739 15.556 41.119 -4.37 0 478 D
|
||||
ATOM 8181 C CA ? TRP Dxp 251 ? 28.564 15.418 42.557 0.00 0 478 D
|
||||
ATOM 8184 C CB ? TRP Dxp 251 ? 27.124 15.802 42.940 0.00 0 478 D
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 48:
|
||||
6 - Hydrophobicity Score : 5.1250
|
||||
7 - Polarity Score : 6
|
||||
8 - Amino Acid based volume Score : 4.8750
|
||||
9 - Pocket volume (Monte Carlo) : 367.9894
|
||||
9 - Pocket volume (Monte Carlo) : 367.3858
|
||||
10 -Pocket volume (convex hull) : 21.3709
|
||||
11 - Charge Score : -2
|
||||
12 - Local hydrophobic density Score : 6.0000
|
||||
@@ -39,22 +39,22 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 6090 N NE1 ? TRP Cxp 251 ? 28.662 59.804 14.394 -6.56 0 478 C
|
||||
ATOM 6110 C CD ? PRO Cxp 253 ? 33.519 63.884 16.193 0.00 0 480 C
|
||||
ATOM 5561 C CE1 ? TYR Cxp 186 ? 31.366 62.541 8.374 0.00 0 413 C
|
||||
ATOM 6103 N ND2 ? ASN Cxp 252 ? 31.388 65.735 16.918 0.00 0 479 C
|
||||
ATOM 6088 C CD1 ? TRP Cxp 251 ? 28.689 60.127 15.728 0.00 0 478 C
|
||||
ATOM 6101 C CG ? ASN Cxp 252 ? 30.440 65.556 17.813 0.00 0 479 C
|
||||
ATOM 6100 C CB ? ASN Cxp 252 ? 30.243 64.137 18.392 0.00 0 479 C
|
||||
ATOM 6102 O OD1 ? ASN Cxp 252 ? 29.697 66.476 18.171 0.00 0 479 C
|
||||
ATOM 6097 C CA ? ASN Cxp 252 ? 31.350 63.118 17.975 0.00 0 479 C
|
||||
ATOM 6085 O O ? TRP Cxp 251 ? 31.838 60.725 16.610 -1.07 0 478 C
|
||||
ATOM 5850 O OH ? TYR Cxp 222 ? 29.907 57.157 9.562 -7.50 0 449 C
|
||||
ATOM 6093 C CZ2 ? TRP Cxp 251 ? 29.235 57.738 13.068 0.00 0 478 C
|
||||
ATOM 5564 O OH ? TYR Cxp 186 ? 29.113 62.297 7.563 0.00 0 413 C
|
||||
ATOM 5884 O OE2 ? GLU Cxp 226 ? 26.650 56.552 10.125 -2.28 0 453 C
|
||||
ATOM 5529 C CB ? GLU Cxp 182 ? 34.856 61.945 11.786 0.00 0 409 C
|
||||
ATOM 5525 N N ? GLU Cxp 182 ? 34.876 59.497 11.935 0.00 0 409 C
|
||||
ATOM 5522 C CB ? PRO Cxp 181 ? 33.183 57.514 13.410 0.00 0 408 C
|
||||
ATOM 5526 C CA ? GLU Cxp 182 ? 34.920 60.606 11.023 0.00 0 409 C
|
||||
ATOM 6090 N NE1 ? TRP Cxp 251 ? 28.662 59.804 14.394 -6.56 0 478 C
|
||||
ATOM 6110 C CD ? PRO Cxp 253 ? 33.519 63.884 16.193 0.00 0 480 C
|
||||
ATOM 5561 C CE1 ? TYR Cxp 186 ? 31.366 62.541 8.374 0.00 0 413 C
|
||||
ATOM 6103 N ND2 ? ASN Cxp 252 ? 31.388 65.735 16.918 0.00 0 479 C
|
||||
ATOM 6088 C CD1 ? TRP Cxp 251 ? 28.689 60.127 15.728 0.00 0 478 C
|
||||
ATOM 6101 C CG ? ASN Cxp 252 ? 30.440 65.556 17.813 0.00 0 479 C
|
||||
ATOM 6100 C CB ? ASN Cxp 252 ? 30.243 64.137 18.392 0.00 0 479 C
|
||||
ATOM 6102 O OD1 ? ASN Cxp 252 ? 29.697 66.476 18.171 0.00 0 479 C
|
||||
ATOM 6097 C CA ? ASN Cxp 252 ? 31.350 63.118 17.975 0.00 0 479 C
|
||||
ATOM 6085 O O ? TRP Cxp 251 ? 31.838 60.725 16.610 -1.07 0 478 C
|
||||
ATOM 5850 O OH ? TYR Cxp 222 ? 29.907 57.157 9.562 -7.50 0 449 C
|
||||
ATOM 6093 C CZ2 ? TRP Cxp 251 ? 29.235 57.738 13.068 0.00 0 478 C
|
||||
ATOM 5564 O OH ? TYR Cxp 186 ? 29.113 62.297 7.563 0.00 0 413 C
|
||||
ATOM 5884 O OE2 ? GLU Cxp 226 ? 26.650 56.552 10.125 -2.28 0 453 C
|
||||
ATOM 5529 C CB ? GLU Cxp 182 ? 34.856 61.945 11.786 0.00 0 409 C
|
||||
ATOM 5525 N N ? GLU Cxp 182 ? 34.876 59.497 11.935 0.00 0 409 C
|
||||
ATOM 5522 C CB ? PRO Cxp 181 ? 33.183 57.514 13.410 0.00 0 408 C
|
||||
ATOM 5526 C CA ? GLU Cxp 182 ? 34.920 60.606 11.023 0.00 0 409 C
|
||||
#
|
||||
|
||||
@@ -17,37 +17,37 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 5519 C CA ? PRO Cxp 181 ? 34.373 57.163 12.526 0.00 0 408 C
|
||||
ATOM 5520 C C ? PRO Cxp 181 ? 34.590 58.277 11.491 0.00 0 408 C
|
||||
ATOM 5521 O O ? PRO Cxp 181 ? 34.571 57.998 10.278 0.00 0 408 C
|
||||
ATOM 5522 C CB ? PRO Cxp 181 ? 33.183 57.514 13.410 0.00 0 408 C
|
||||
ATOM 5525 N N ? GLU Cxp 182 ? 34.876 59.497 11.935 0.00 0 409 C
|
||||
ATOM 5526 C CA ? GLU Cxp 182 ? 34.920 60.606 11.023 0.00 0 409 C
|
||||
ATOM 5529 C CB ? GLU Cxp 182 ? 34.856 61.945 11.786 0.00 0 409 C
|
||||
ATOM 5532 O OE1 ? GLU Cxp 182 ? 35.570 61.003 14.365 0.00 0 409 C
|
||||
ATOM 5552 C CB ? ALA Cxp 185 ? 32.614 58.824 7.353 0.00 0 412 C
|
||||
ATOM 5559 C CD1 ? TYR Cxp 186 ? 32.727 62.743 8.126 0.00 0 413 C
|
||||
ATOM 5561 C CE1 ? TYR Cxp 186 ? 31.366 62.541 8.374 0.00 0 413 C
|
||||
ATOM 5563 C CZ ? TYR Cxp 186 ? 30.462 62.498 7.317 0.00 0 413 C
|
||||
ATOM 5564 O OH ? TYR Cxp 186 ? 29.113 62.297 7.563 0.00 0 413 C
|
||||
ATOM 5847 C CE1 ? TYR Cxp 222 ? 31.812 55.701 9.755 0.00 0 449 C
|
||||
ATOM 5849 C CZ ? TYR Cxp 222 ? 30.448 55.879 9.551 0.00 0 449 C
|
||||
ATOM 5850 O OH ? TYR Cxp 222 ? 29.907 57.157 9.562 -7.50 0 449 C
|
||||
ATOM 5884 O OE2 ? GLU Cxp 226 ? 26.650 56.552 10.125 -2.28 0 453 C
|
||||
ATOM 6084 C C ? TRP Cxp 251 ? 31.278 60.671 17.720 0.00 0 478 C
|
||||
ATOM 6085 O O ? TRP Cxp 251 ? 31.838 60.725 16.610 -1.07 0 478 C
|
||||
ATOM 6088 C CD1 ? TRP Cxp 251 ? 28.689 60.127 15.728 0.00 0 478 C
|
||||
ATOM 6089 C CD2 ? TRP Cxp 251 ? 29.435 58.017 15.504 0.00 0 478 C
|
||||
ATOM 6090 N NE1 ? TRP Cxp 251 ? 28.662 59.804 14.394 -6.56 0 478 C
|
||||
ATOM 6091 C CE2 ? TRP Cxp 251 ? 29.097 58.506 14.232 0.00 0 478 C
|
||||
ATOM 6093 C CZ2 ? TRP Cxp 251 ? 29.235 57.738 13.068 0.00 0 478 C
|
||||
ATOM 6095 C CH2 ? TRP Cxp 251 ? 29.729 56.456 13.190 0.00 0 478 C
|
||||
ATOM 6096 N N ? ASN Cxp 252 ? 30.975 61.754 18.422 -2.19 0 479 C
|
||||
ATOM 6097 C CA ? ASN Cxp 252 ? 31.350 63.118 17.975 0.00 0 479 C
|
||||
ATOM 6100 C CB ? ASN Cxp 252 ? 30.243 64.137 18.392 0.00 0 479 C
|
||||
ATOM 6101 C CG ? ASN Cxp 252 ? 30.440 65.556 17.813 0.00 0 479 C
|
||||
ATOM 6102 O OD1 ? ASN Cxp 252 ? 29.697 66.476 18.171 0.00 0 479 C
|
||||
ATOM 6103 N ND2 ? ASN Cxp 252 ? 31.388 65.735 16.918 0.00 0 479 C
|
||||
ATOM 6109 C CG ? PRO Cxp 253 ? 34.616 64.790 15.740 0.00 0 480 C
|
||||
ATOM 6110 C CD ? PRO Cxp 253 ? 33.519 63.884 16.193 0.00 0 480 C
|
||||
ATOM 5519 C CA ? PRO Cxp 181 ? 34.373 57.163 12.526 0.00 0 408 C
|
||||
ATOM 5520 C C ? PRO Cxp 181 ? 34.590 58.277 11.491 0.00 0 408 C
|
||||
ATOM 5521 O O ? PRO Cxp 181 ? 34.571 57.998 10.278 0.00 0 408 C
|
||||
ATOM 5522 C CB ? PRO Cxp 181 ? 33.183 57.514 13.410 0.00 0 408 C
|
||||
ATOM 5525 N N ? GLU Cxp 182 ? 34.876 59.497 11.935 0.00 0 409 C
|
||||
ATOM 5526 C CA ? GLU Cxp 182 ? 34.920 60.606 11.023 0.00 0 409 C
|
||||
ATOM 5529 C CB ? GLU Cxp 182 ? 34.856 61.945 11.786 0.00 0 409 C
|
||||
ATOM 5532 O OE1 ? GLU Cxp 182 ? 35.570 61.003 14.365 0.00 0 409 C
|
||||
ATOM 5552 C CB ? ALA Cxp 185 ? 32.614 58.824 7.353 0.00 0 412 C
|
||||
ATOM 5559 C CD1 ? TYR Cxp 186 ? 32.727 62.743 8.126 0.00 0 413 C
|
||||
ATOM 5561 C CE1 ? TYR Cxp 186 ? 31.366 62.541 8.374 0.00 0 413 C
|
||||
ATOM 5563 C CZ ? TYR Cxp 186 ? 30.462 62.498 7.317 0.00 0 413 C
|
||||
ATOM 5564 O OH ? TYR Cxp 186 ? 29.113 62.297 7.563 0.00 0 413 C
|
||||
ATOM 5847 C CE1 ? TYR Cxp 222 ? 31.812 55.701 9.755 0.00 0 449 C
|
||||
ATOM 5849 C CZ ? TYR Cxp 222 ? 30.448 55.879 9.551 0.00 0 449 C
|
||||
ATOM 5850 O OH ? TYR Cxp 222 ? 29.907 57.157 9.562 -7.50 0 449 C
|
||||
ATOM 5884 O OE2 ? GLU Cxp 226 ? 26.650 56.552 10.125 -2.28 0 453 C
|
||||
ATOM 6084 C C ? TRP Cxp 251 ? 31.278 60.671 17.720 0.00 0 478 C
|
||||
ATOM 6085 O O ? TRP Cxp 251 ? 31.838 60.725 16.610 -1.07 0 478 C
|
||||
ATOM 6088 C CD1 ? TRP Cxp 251 ? 28.689 60.127 15.728 0.00 0 478 C
|
||||
ATOM 6089 C CD2 ? TRP Cxp 251 ? 29.435 58.017 15.504 0.00 0 478 C
|
||||
ATOM 6090 N NE1 ? TRP Cxp 251 ? 28.662 59.804 14.394 -6.56 0 478 C
|
||||
ATOM 6091 C CE2 ? TRP Cxp 251 ? 29.097 58.506 14.232 0.00 0 478 C
|
||||
ATOM 6093 C CZ2 ? TRP Cxp 251 ? 29.235 57.738 13.068 0.00 0 478 C
|
||||
ATOM 6095 C CH2 ? TRP Cxp 251 ? 29.729 56.456 13.190 0.00 0 478 C
|
||||
ATOM 6096 N N ? ASN Cxp 252 ? 30.975 61.754 18.422 -2.19 0 479 C
|
||||
ATOM 6097 C CA ? ASN Cxp 252 ? 31.350 63.118 17.975 0.00 0 479 C
|
||||
ATOM 6100 C CB ? ASN Cxp 252 ? 30.243 64.137 18.392 0.00 0 479 C
|
||||
ATOM 6101 C CG ? ASN Cxp 252 ? 30.440 65.556 17.813 0.00 0 479 C
|
||||
ATOM 6102 O OD1 ? ASN Cxp 252 ? 29.697 66.476 18.171 0.00 0 479 C
|
||||
ATOM 6103 N ND2 ? ASN Cxp 252 ? 31.388 65.735 16.918 0.00 0 479 C
|
||||
ATOM 6109 C CG ? PRO Cxp 253 ? 34.616 64.790 15.740 0.00 0 480 C
|
||||
ATOM 6110 C CD ? PRO Cxp 253 ? 33.519 63.884 16.193 0.00 0 480 C
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 49:
|
||||
6 - Hydrophobicity Score : 16.1000
|
||||
7 - Polarity Score : 7
|
||||
8 - Amino Acid based volume Score : 4.1000
|
||||
9 - Pocket volume (Monte Carlo) : 292.2672
|
||||
9 - Pocket volume (Monte Carlo) : 284.3889
|
||||
10 -Pocket volume (convex hull) : 9.8613
|
||||
11 - Charge Score : 0
|
||||
12 - Local hydrophobic density Score : 9.0000
|
||||
@@ -39,23 +39,23 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 5034 O OH ? TYR Cxp 115 ? 58.344 55.157 34.164 0.00 0 342 C
|
||||
ATOM 4672 N ND2 ? ASN Cxp 70 ? 57.355 58.362 28.976 -1.51 0 297 C
|
||||
ATOM 4662 C CB ? PRO Cxp 69 ? 60.450 61.969 29.102 0.00 0 296 C
|
||||
ATOM 5304 C CD1 ? LEU Cxp 149 ? 60.517 55.841 29.996 0.00 0 376 C
|
||||
ATOM 5054 C CG2 ? THR Cxp 118 ? 50.753 58.830 33.830 0.00 0 345 C
|
||||
ATOM 6221 O OE2 ? GLU Cxp 267 ? 52.076 62.217 36.301 0.00 0 494 C
|
||||
ATOM 4671 O OD1 ? ASN Cxp 70 ? 56.558 60.443 29.009 -2.95 0 297 C
|
||||
ATOM 5083 O OG ? SER Cxp 122 ? 53.863 62.829 29.598 -1.88 0 349 C
|
||||
ATOM 5062 O OE1 ? GLN Cxp 119 ? 57.260 55.570 30.506 0.00 0 346 C
|
||||
ATOM 5082 C CB ? SER Cxp 122 ? 52.804 61.909 29.576 0.00 0 349 C
|
||||
ATOM 5056 C CA ? GLN Cxp 119 ? 53.373 57.737 29.841 0.00 0 346 C
|
||||
ATOM 6190 C CE1 ? HIS Cxp 263 ? 50.909 62.392 32.500 0.00 0 490 C
|
||||
ATOM 5060 C CG ? GLN Cxp 119 ? 55.079 56.302 31.129 0.00 0 346 C
|
||||
ATOM 5031 C CE1 ? TYR Cxp 115 ? 56.013 55.650 34.641 0.00 0 342 C
|
||||
ATOM 6246 C CE2 ? PHE Cxp 270 ? 53.034 56.148 37.807 0.00 0 497 C
|
||||
ATOM 5029 C CD1 ? TYR Cxp 115 ? 54.651 55.066 34.834 0.00 0 342 C
|
||||
ATOM 6244 C CD2 ? PHE Cxp 270 ? 51.777 56.759 37.716 0.00 0 497 C
|
||||
ATOM 5055 N N ? GLN Cxp 119 ? 52.290 57.266 30.681 0.00 0 346 C
|
||||
ATOM 5051 O O ? THR Cxp 118 ? 51.101 59.170 30.426 0.00 0 345 C
|
||||
ATOM 5034 O OH ? TYR Cxp 115 ? 58.344 55.157 34.164 0.00 0 342 C
|
||||
ATOM 4672 N ND2 ? ASN Cxp 70 ? 57.355 58.362 28.976 -1.51 0 297 C
|
||||
ATOM 4662 C CB ? PRO Cxp 69 ? 60.450 61.969 29.102 0.00 0 296 C
|
||||
ATOM 5304 C CD1 ? LEU Cxp 149 ? 60.517 55.841 29.996 0.00 0 376 C
|
||||
ATOM 5054 C CG2 ? THR Cxp 118 ? 50.753 58.830 33.830 0.00 0 345 C
|
||||
ATOM 6221 O OE2 ? GLU Cxp 267 ? 52.076 62.217 36.301 0.00 0 494 C
|
||||
ATOM 4671 O OD1 ? ASN Cxp 70 ? 56.558 60.443 29.009 -2.95 0 297 C
|
||||
ATOM 5083 O OG ? SER Cxp 122 ? 53.863 62.829 29.598 -1.88 0 349 C
|
||||
ATOM 5062 O OE1 ? GLN Cxp 119 ? 57.260 55.570 30.506 0.00 0 346 C
|
||||
ATOM 5082 C CB ? SER Cxp 122 ? 52.804 61.909 29.576 0.00 0 349 C
|
||||
ATOM 5056 C CA ? GLN Cxp 119 ? 53.373 57.737 29.841 0.00 0 346 C
|
||||
ATOM 6190 C CE1 ? HIS Cxp 263 ? 50.909 62.392 32.500 0.00 0 490 C
|
||||
ATOM 5060 C CG ? GLN Cxp 119 ? 55.079 56.302 31.129 0.00 0 346 C
|
||||
ATOM 5031 C CE1 ? TYR Cxp 115 ? 56.013 55.650 34.641 0.00 0 342 C
|
||||
ATOM 6246 C CE2 ? PHE Cxp 270 ? 53.034 56.148 37.807 0.00 0 497 C
|
||||
ATOM 5029 C CD1 ? TYR Cxp 115 ? 54.651 55.066 34.834 0.00 0 342 C
|
||||
ATOM 6244 C CD2 ? PHE Cxp 270 ? 51.777 56.759 37.716 0.00 0 497 C
|
||||
ATOM 5055 N N ? GLN Cxp 119 ? 52.290 57.266 30.681 0.00 0 346 C
|
||||
ATOM 5051 O O ? THR Cxp 118 ? 51.101 59.170 30.426 0.00 0 345 C
|
||||
#
|
||||
|
||||
@@ -17,33 +17,33 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 4662 C CB ? PRO Cxp 69 ? 60.450 61.969 29.102 0.00 0 296 C
|
||||
ATOM 4663 C CG ? PRO Cxp 69 ? 59.635 63.220 29.351 0.00 0 296 C
|
||||
ATOM 4670 C CG ? ASN Cxp 70 ? 56.825 59.422 28.400 0.00 0 297 C
|
||||
ATOM 4671 O OD1 ? ASN Cxp 70 ? 56.558 60.443 29.009 -2.95 0 297 C
|
||||
ATOM 4672 N ND2 ? ASN Cxp 70 ? 57.355 58.362 28.976 -1.51 0 297 C
|
||||
ATOM 5029 C CD1 ? TYR Cxp 115 ? 54.651 55.066 34.834 0.00 0 342 C
|
||||
ATOM 5031 C CE1 ? TYR Cxp 115 ? 56.013 55.650 34.641 0.00 0 342 C
|
||||
ATOM 5033 C CZ ? TYR Cxp 115 ? 57.064 54.762 34.383 0.00 0 342 C
|
||||
ATOM 5034 O OH ? TYR Cxp 115 ? 58.344 55.157 34.164 0.00 0 342 C
|
||||
ATOM 5050 C C ? THR Cxp 118 ? 51.225 58.013 30.904 0.00 0 345 C
|
||||
ATOM 5051 O O ? THR Cxp 118 ? 51.101 59.170 30.426 0.00 0 345 C
|
||||
ATOM 5052 C CB ? THR Cxp 118 ? 50.506 57.385 33.296 0.00 0 345 C
|
||||
ATOM 5054 C CG2 ? THR Cxp 118 ? 50.753 58.830 33.830 0.00 0 345 C
|
||||
ATOM 5055 N N ? GLN Cxp 119 ? 52.290 57.266 30.681 0.00 0 346 C
|
||||
ATOM 5056 C CA ? GLN Cxp 119 ? 53.373 57.737 29.841 0.00 0 346 C
|
||||
ATOM 5059 C CB ? GLN Cxp 119 ? 54.455 56.675 29.773 0.00 0 346 C
|
||||
ATOM 5060 C CG ? GLN Cxp 119 ? 55.079 56.302 31.129 0.00 0 346 C
|
||||
ATOM 5061 C CD ? GLN Cxp 119 ? 56.136 55.254 30.930 0.00 0 346 C
|
||||
ATOM 5062 O OE1 ? GLN Cxp 119 ? 57.260 55.570 30.506 0.00 0 346 C
|
||||
ATOM 5082 C CB ? SER Cxp 122 ? 52.804 61.909 29.576 0.00 0 349 C
|
||||
ATOM 5083 O OG ? SER Cxp 122 ? 53.863 62.829 29.598 -1.88 0 349 C
|
||||
ATOM 5304 C CD1 ? LEU Cxp 149 ? 60.517 55.841 29.996 0.00 0 376 C
|
||||
ATOM 6188 N ND1 ? HIS Cxp 263 ? 49.866 62.125 31.734 0.00 0 490 C
|
||||
ATOM 6190 C CE1 ? HIS Cxp 263 ? 50.909 62.392 32.500 0.00 0 490 C
|
||||
ATOM 6191 N NE2 ? HIS Cxp 263 ? 50.876 63.676 32.798 -4.37 0 490 C
|
||||
ATOM 6219 C CD ? GLU Cxp 267 ? 51.002 62.902 36.116 0.00 0 494 C
|
||||
ATOM 6221 O OE2 ? GLU Cxp 267 ? 52.076 62.217 36.301 0.00 0 494 C
|
||||
ATOM 6244 C CD2 ? PHE Cxp 270 ? 51.777 56.759 37.716 0.00 0 497 C
|
||||
ATOM 6246 C CE2 ? PHE Cxp 270 ? 53.034 56.148 37.807 0.00 0 497 C
|
||||
ATOM 4662 C CB ? PRO Cxp 69 ? 60.450 61.969 29.102 0.00 0 296 C
|
||||
ATOM 4663 C CG ? PRO Cxp 69 ? 59.635 63.220 29.351 0.00 0 296 C
|
||||
ATOM 4670 C CG ? ASN Cxp 70 ? 56.825 59.422 28.400 0.00 0 297 C
|
||||
ATOM 4671 O OD1 ? ASN Cxp 70 ? 56.558 60.443 29.009 -2.95 0 297 C
|
||||
ATOM 4672 N ND2 ? ASN Cxp 70 ? 57.355 58.362 28.976 -1.51 0 297 C
|
||||
ATOM 5029 C CD1 ? TYR Cxp 115 ? 54.651 55.066 34.834 0.00 0 342 C
|
||||
ATOM 5031 C CE1 ? TYR Cxp 115 ? 56.013 55.650 34.641 0.00 0 342 C
|
||||
ATOM 5033 C CZ ? TYR Cxp 115 ? 57.064 54.762 34.383 0.00 0 342 C
|
||||
ATOM 5034 O OH ? TYR Cxp 115 ? 58.344 55.157 34.164 0.00 0 342 C
|
||||
ATOM 5050 C C ? THR Cxp 118 ? 51.225 58.013 30.904 0.00 0 345 C
|
||||
ATOM 5051 O O ? THR Cxp 118 ? 51.101 59.170 30.426 0.00 0 345 C
|
||||
ATOM 5052 C CB ? THR Cxp 118 ? 50.506 57.385 33.296 0.00 0 345 C
|
||||
ATOM 5054 C CG2 ? THR Cxp 118 ? 50.753 58.830 33.830 0.00 0 345 C
|
||||
ATOM 5055 N N ? GLN Cxp 119 ? 52.290 57.266 30.681 0.00 0 346 C
|
||||
ATOM 5056 C CA ? GLN Cxp 119 ? 53.373 57.737 29.841 0.00 0 346 C
|
||||
ATOM 5059 C CB ? GLN Cxp 119 ? 54.455 56.675 29.773 0.00 0 346 C
|
||||
ATOM 5060 C CG ? GLN Cxp 119 ? 55.079 56.302 31.129 0.00 0 346 C
|
||||
ATOM 5061 C CD ? GLN Cxp 119 ? 56.136 55.254 30.930 0.00 0 346 C
|
||||
ATOM 5062 O OE1 ? GLN Cxp 119 ? 57.260 55.570 30.506 0.00 0 346 C
|
||||
ATOM 5082 C CB ? SER Cxp 122 ? 52.804 61.909 29.576 0.00 0 349 C
|
||||
ATOM 5083 O OG ? SER Cxp 122 ? 53.863 62.829 29.598 -1.88 0 349 C
|
||||
ATOM 5304 C CD1 ? LEU Cxp 149 ? 60.517 55.841 29.996 0.00 0 376 C
|
||||
ATOM 6188 N ND1 ? HIS Cxp 263 ? 49.866 62.125 31.734 0.00 0 490 C
|
||||
ATOM 6190 C CE1 ? HIS Cxp 263 ? 50.909 62.392 32.500 0.00 0 490 C
|
||||
ATOM 6191 N NE2 ? HIS Cxp 263 ? 50.876 63.676 32.798 -4.37 0 490 C
|
||||
ATOM 6219 C CD ? GLU Cxp 267 ? 51.002 62.902 36.116 0.00 0 494 C
|
||||
ATOM 6221 O OE2 ? GLU Cxp 267 ? 52.076 62.217 36.301 0.00 0 494 C
|
||||
ATOM 6244 C CD2 ? PHE Cxp 270 ? 51.777 56.759 37.716 0.00 0 497 C
|
||||
ATOM 6246 C CE2 ? PHE Cxp 270 ? 53.034 56.148 37.807 0.00 0 497 C
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 4:
|
||||
6 - Hydrophobicity Score : 32.4074
|
||||
7 - Polarity Score : 13
|
||||
8 - Amino Acid based volume Score : 4.1481
|
||||
9 - Pocket volume (Monte Carlo) : 922.6653
|
||||
9 - Pocket volume (Monte Carlo) : 939.1116
|
||||
10 -Pocket volume (convex hull) : 388.6069
|
||||
11 - Charge Score : -4
|
||||
12 - Local hydrophobic density Score : 51.3067
|
||||
@@ -39,73 +39,73 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 3247 C CB ? PHE Bxp 155 ? 21.327 58.002 41.139 0.00 0 382 B
|
||||
ATOM 2264 C CG2 ? VAL Bxp 29 ? 22.917 63.990 38.678 0.00 0 256 B
|
||||
ATOM 3246 O O ? PHE Bxp 155 ? 20.558 58.316 38.318 -3.21 0 382 B
|
||||
ATOM 3250 C CD2 ? PHE Bxp 155 ? 20.792 59.659 42.947 0.00 0 382 B
|
||||
ATOM 2707 C CG2 ? THR Bxp 88 ? 16.546 66.243 44.344 0.00 0 315 B
|
||||
ATOM 2387 C CD ? LYS Bxp 44 ? 18.528 63.736 37.195 0.00 0 271 B
|
||||
ATOM 2385 C CB ? LYS Bxp 44 ? 19.282 65.937 37.904 0.00 0 271 B
|
||||
ATOM 2492 O OE2 ? GLU Bxp 59 ? 15.137 61.777 38.754 -1.07 0 286 B
|
||||
ATOM 3238 O O ? ASP Bxp 154 ? 17.212 58.730 41.018 -2.14 0 381 B
|
||||
ATOM 2516 S SD ? MET Bxp 63 ? 13.035 63.861 41.900 0.00 0 290 B
|
||||
ATOM 2263 C CG1 ? VAL Bxp 29 ? 23.119 65.537 40.473 0.00 0 256 B
|
||||
ATOM 2691 C CG2 ? ILE Bxp 86 ? 14.650 66.918 40.167 0.00 0 313 B
|
||||
ATOM 2706 O OG1 ? THR Bxp 88 ? 18.707 66.620 45.445 0.00 0 315 B
|
||||
ATOM 2373 C CB ? ALA Bxp 42 ? 22.222 67.512 44.351 0.00 0 269 B
|
||||
ATOM 2372 O O ? ALA Bxp 42 ? 20.132 69.347 42.849 0.00 0 269 B
|
||||
ATOM 2237 C CB ? TYR Bxp 26 ? 25.215 60.955 39.865 0.00 0 253 B
|
||||
ATOM 2238 C CG ? TYR Bxp 26 ? 25.664 60.594 41.236 0.00 0 253 B
|
||||
ATOM 2381 N N ? LYS Bxp 44 ? 20.271 67.959 38.825 0.00 0 271 B
|
||||
ATOM 3244 C CA ? PHE Bxp 155 ? 19.890 58.074 40.595 0.00 0 382 B
|
||||
ATOM 2389 N NZ ? LYS Bxp 44 ? 17.801 61.554 36.438 -1.51 0 271 B
|
||||
ATOM 2587 C CG1 ? VAL Bxp 72 ? 15.898 62.083 46.401 0.00 0 299 B
|
||||
ATOM 3252 C CE2 ? PHE Bxp 155 ? 20.900 60.083 44.236 0.00 0 382 B
|
||||
ATOM 2588 C CG2 ? VAL Bxp 72 ? 17.492 63.676 47.427 0.00 0 299 B
|
||||
ATOM 3234 C CB ? ALA Bxp 153 ? 18.132 59.089 46.069 0.00 0 380 B
|
||||
ATOM 3159 C CD1 ? LEU Bxp 143 ? 21.090 61.822 48.147 0.00 0 370 B
|
||||
ATOM 2711 O O ? GLU Bxp 89 ? 20.201 67.317 47.580 0.00 0 316 B
|
||||
ATOM 2688 O O ? ILE Bxp 86 ? 17.692 68.841 39.888 0.00 0 313 B
|
||||
ATOM 2242 C CE2 ? TYR Bxp 26 ? 25.430 59.279 43.261 0.00 0 253 B
|
||||
ATOM 2243 C CZ ? TYR Bxp 26 ? 26.444 59.997 43.875 0.00 0 253 B
|
||||
ATOM 3253 C CZ ? PHE Bxp 155 ? 21.682 59.344 45.142 0.00 0 382 B
|
||||
ATOM 3235 N N ? ASP Bxp 154 ? 16.818 57.772 43.787 0.00 0 381 B
|
||||
ATOM 2750 C CD2 ? TYR Bxp 93 ? 29.699 62.458 56.235 0.00 0 320 B
|
||||
ATOM 2797 C CD1 ? TYR Bxp 99 ? 29.075 58.066 55.512 0.00 0 326 B
|
||||
ATOM 2746 O O ? TYR Bxp 93 ? 28.599 60.480 52.266 -3.35 0 320 B
|
||||
ATOM 2829 O OE1 ? GLU Bxp 102 ? 34.302 57.534 51.775 0.00 0 329 B
|
||||
ATOM 2792 C CA ? TYR Bxp 99 ? 29.822 55.733 53.360 0.00 0 326 B
|
||||
ATOM 2825 O O ? GLU Bxp 102 ? 35.223 55.787 56.333 -0.54 0 329 B
|
||||
ATOM 2826 C CB ? GLU Bxp 102 ? 34.503 55.603 53.491 0.00 0 329 B
|
||||
ATOM 2824 C C ? GLU Bxp 102 ? 34.437 54.977 55.882 0.00 0 329 B
|
||||
ATOM 2832 C CA ? CYS Bxp 103 ? 33.088 55.081 57.860 0.00 0 330 B
|
||||
ATOM 2831 N N ? CYS Bxp 103 ? 33.393 54.555 56.565 0.00 0 330 B
|
||||
ATOM 2212 N N ? GLY Bxp 22 ? 30.324 63.653 42.683 -5.89 0 249 B
|
||||
ATOM 2208 C CB ? LEU Bxp 21 ? 27.777 65.366 42.511 0.00 0 248 B
|
||||
ATOM 2241 C CE1 ? TYR Bxp 26 ? 27.096 61.045 43.171 0.00 0 253 B
|
||||
ATOM 2211 C CD2 ? LEU Bxp 21 ? 28.018 67.175 44.220 0.00 0 248 B
|
||||
ATOM 2244 O OH ? TYR Bxp 26 ? 26.823 59.711 45.218 -2.14 0 253 B
|
||||
ATOM 2213 C CA ? GLY Bxp 22 ? 30.809 62.280 42.760 0.00 0 249 B
|
||||
ATOM 2239 C CD1 ? TYR Bxp 26 ? 26.701 61.329 41.870 0.00 0 253 B
|
||||
ATOM 2240 C CD2 ? TYR Bxp 26 ? 25.035 59.577 41.953 0.00 0 253 B
|
||||
ATOM 2756 C CA ? GLY Bxp 94 ? 27.234 61.247 49.837 0.00 0 321 B
|
||||
ATOM 2725 C CE1 ? PHE Bxp 90 ? 26.754 67.714 47.272 0.00 0 317 B
|
||||
ATOM 2727 C CZ ? PHE Bxp 90 ? 27.534 67.567 48.425 0.00 0 317 B
|
||||
ATOM 2231 O OE1 ? GLN Bxp 25 ? 30.209 59.236 43.367 -1.48 0 252 B
|
||||
ATOM 2210 C CD1 ? LEU Bxp 21 ? 25.721 66.211 43.675 0.00 0 248 B
|
||||
ATOM 2723 C CD1 ? PHE Bxp 90 ? 25.422 68.241 47.382 0.00 0 317 B
|
||||
ATOM 2728 N N ? MET Bxp 91 ? 23.092 66.028 50.284 0.00 0 318 B
|
||||
ATOM 2718 C CA ? PHE Bxp 90 ? 22.486 68.006 48.962 0.00 0 317 B
|
||||
ATOM 2799 C CE1 ? TYR Bxp 99 ? 29.022 58.408 56.848 0.00 0 326 B
|
||||
ATOM 2752 C CE2 ? TYR Bxp 93 ? 30.166 63.254 57.309 0.00 0 320 B
|
||||
ATOM 2731 O O ? MET Bxp 91 ? 25.598 64.570 50.902 0.00 0 318 B
|
||||
ATOM 2765 O OD1 ? ASN Bxp 95 ? 28.158 57.076 46.868 -2.14 0 322 B
|
||||
ATOM 2759 N N ? ASN Bxp 95 ? 26.743 58.973 49.025 -1.09 0 322 B
|
||||
ATOM 2790 O OD2 ? ASP Bxp 98 ? 30.977 56.310 46.763 -0.54 0 325 B
|
||||
ATOM 2755 N N ? GLY Bxp 94 ? 27.250 61.948 51.137 0.00 0 321 B
|
||||
ATOM 2739 O O ? THR Bxp 92 ? 28.656 64.809 52.499 0.00 0 319 B
|
||||
ATOM 3160 C CD2 ? LEU Bxp 143 ? 23.325 60.556 48.021 0.00 0 370 B
|
||||
ATOM 2787 C CB ? ASP Bxp 98 ? 31.035 55.730 49.067 0.00 0 325 B
|
||||
ATOM 2791 N N ? TYR Bxp 99 ? 29.822 55.330 52.001 0.00 0 326 B
|
||||
ATOM 2830 O OE2 ? GLU Bxp 102 ? 35.139 56.584 50.050 -3.35 0 329 B
|
||||
ATOM 3247 C CB ? PHE Bxp 155 ? 21.327 58.002 41.139 0.00 0 382 B
|
||||
ATOM 2264 C CG2 ? VAL Bxp 29 ? 22.917 63.990 38.678 0.00 0 256 B
|
||||
ATOM 3246 O O ? PHE Bxp 155 ? 20.558 58.316 38.318 -3.21 0 382 B
|
||||
ATOM 3250 C CD2 ? PHE Bxp 155 ? 20.792 59.659 42.947 0.00 0 382 B
|
||||
ATOM 2707 C CG2 ? THR Bxp 88 ? 16.546 66.243 44.344 0.00 0 315 B
|
||||
ATOM 2387 C CD ? LYS Bxp 44 ? 18.528 63.736 37.195 0.00 0 271 B
|
||||
ATOM 2385 C CB ? LYS Bxp 44 ? 19.282 65.937 37.904 0.00 0 271 B
|
||||
ATOM 2492 O OE2 ? GLU Bxp 59 ? 15.137 61.777 38.754 -1.07 0 286 B
|
||||
ATOM 3238 O O ? ASP Bxp 154 ? 17.212 58.730 41.018 -2.14 0 381 B
|
||||
ATOM 2516 S SD ? MET Bxp 63 ? 13.035 63.861 41.900 0.00 0 290 B
|
||||
ATOM 2263 C CG1 ? VAL Bxp 29 ? 23.119 65.537 40.473 0.00 0 256 B
|
||||
ATOM 2691 C CG2 ? ILE Bxp 86 ? 14.650 66.918 40.167 0.00 0 313 B
|
||||
ATOM 2706 O OG1 ? THR Bxp 88 ? 18.707 66.620 45.445 0.00 0 315 B
|
||||
ATOM 2373 C CB ? ALA Bxp 42 ? 22.222 67.512 44.351 0.00 0 269 B
|
||||
ATOM 2372 O O ? ALA Bxp 42 ? 20.132 69.347 42.849 0.00 0 269 B
|
||||
ATOM 2237 C CB ? TYR Bxp 26 ? 25.215 60.955 39.865 0.00 0 253 B
|
||||
ATOM 2238 C CG ? TYR Bxp 26 ? 25.664 60.594 41.236 0.00 0 253 B
|
||||
ATOM 2381 N N ? LYS Bxp 44 ? 20.271 67.959 38.825 0.00 0 271 B
|
||||
ATOM 3244 C CA ? PHE Bxp 155 ? 19.890 58.074 40.595 0.00 0 382 B
|
||||
ATOM 2389 N NZ ? LYS Bxp 44 ? 17.801 61.554 36.438 -1.51 0 271 B
|
||||
ATOM 2587 C CG1 ? VAL Bxp 72 ? 15.898 62.083 46.401 0.00 0 299 B
|
||||
ATOM 3252 C CE2 ? PHE Bxp 155 ? 20.900 60.083 44.236 0.00 0 382 B
|
||||
ATOM 2588 C CG2 ? VAL Bxp 72 ? 17.492 63.676 47.427 0.00 0 299 B
|
||||
ATOM 3234 C CB ? ALA Bxp 153 ? 18.132 59.089 46.069 0.00 0 380 B
|
||||
ATOM 3159 C CD1 ? LEU Bxp 143 ? 21.090 61.822 48.147 0.00 0 370 B
|
||||
ATOM 2711 O O ? GLU Bxp 89 ? 20.201 67.317 47.580 0.00 0 316 B
|
||||
ATOM 2688 O O ? ILE Bxp 86 ? 17.692 68.841 39.888 0.00 0 313 B
|
||||
ATOM 2242 C CE2 ? TYR Bxp 26 ? 25.430 59.279 43.261 0.00 0 253 B
|
||||
ATOM 2243 C CZ ? TYR Bxp 26 ? 26.444 59.997 43.875 0.00 0 253 B
|
||||
ATOM 3253 C CZ ? PHE Bxp 155 ? 21.682 59.344 45.142 0.00 0 382 B
|
||||
ATOM 3235 N N ? ASP Bxp 154 ? 16.818 57.772 43.787 0.00 0 381 B
|
||||
ATOM 2750 C CD2 ? TYR Bxp 93 ? 29.699 62.458 56.235 0.00 0 320 B
|
||||
ATOM 2797 C CD1 ? TYR Bxp 99 ? 29.075 58.066 55.512 0.00 0 326 B
|
||||
ATOM 2746 O O ? TYR Bxp 93 ? 28.599 60.480 52.266 -3.35 0 320 B
|
||||
ATOM 2829 O OE1 ? GLU Bxp 102 ? 34.302 57.534 51.775 0.00 0 329 B
|
||||
ATOM 2792 C CA ? TYR Bxp 99 ? 29.822 55.733 53.360 0.00 0 326 B
|
||||
ATOM 2825 O O ? GLU Bxp 102 ? 35.223 55.787 56.333 -0.54 0 329 B
|
||||
ATOM 2826 C CB ? GLU Bxp 102 ? 34.503 55.603 53.491 0.00 0 329 B
|
||||
ATOM 2824 C C ? GLU Bxp 102 ? 34.437 54.977 55.882 0.00 0 329 B
|
||||
ATOM 2832 C CA ? CYS Bxp 103 ? 33.088 55.081 57.860 0.00 0 330 B
|
||||
ATOM 2831 N N ? CYS Bxp 103 ? 33.393 54.555 56.565 0.00 0 330 B
|
||||
ATOM 2212 N N ? GLY Bxp 22 ? 30.324 63.653 42.683 -5.89 0 249 B
|
||||
ATOM 2208 C CB ? LEU Bxp 21 ? 27.777 65.366 42.511 0.00 0 248 B
|
||||
ATOM 2241 C CE1 ? TYR Bxp 26 ? 27.096 61.045 43.171 0.00 0 253 B
|
||||
ATOM 2211 C CD2 ? LEU Bxp 21 ? 28.018 67.175 44.220 0.00 0 248 B
|
||||
ATOM 2244 O OH ? TYR Bxp 26 ? 26.823 59.711 45.218 -2.14 0 253 B
|
||||
ATOM 2213 C CA ? GLY Bxp 22 ? 30.809 62.280 42.760 0.00 0 249 B
|
||||
ATOM 2239 C CD1 ? TYR Bxp 26 ? 26.701 61.329 41.870 0.00 0 253 B
|
||||
ATOM 2240 C CD2 ? TYR Bxp 26 ? 25.035 59.577 41.953 0.00 0 253 B
|
||||
ATOM 2756 C CA ? GLY Bxp 94 ? 27.234 61.247 49.837 0.00 0 321 B
|
||||
ATOM 2725 C CE1 ? PHE Bxp 90 ? 26.754 67.714 47.272 0.00 0 317 B
|
||||
ATOM 2727 C CZ ? PHE Bxp 90 ? 27.534 67.567 48.425 0.00 0 317 B
|
||||
ATOM 2231 O OE1 ? GLN Bxp 25 ? 30.209 59.236 43.367 -1.48 0 252 B
|
||||
ATOM 2210 C CD1 ? LEU Bxp 21 ? 25.721 66.211 43.675 0.00 0 248 B
|
||||
ATOM 2723 C CD1 ? PHE Bxp 90 ? 25.422 68.241 47.382 0.00 0 317 B
|
||||
ATOM 2728 N N ? MET Bxp 91 ? 23.092 66.028 50.284 0.00 0 318 B
|
||||
ATOM 2718 C CA ? PHE Bxp 90 ? 22.486 68.006 48.962 0.00 0 317 B
|
||||
ATOM 2799 C CE1 ? TYR Bxp 99 ? 29.022 58.408 56.848 0.00 0 326 B
|
||||
ATOM 2752 C CE2 ? TYR Bxp 93 ? 30.166 63.254 57.309 0.00 0 320 B
|
||||
ATOM 2731 O O ? MET Bxp 91 ? 25.598 64.570 50.902 0.00 0 318 B
|
||||
ATOM 2765 O OD1 ? ASN Bxp 95 ? 28.158 57.076 46.868 -2.14 0 322 B
|
||||
ATOM 2759 N N ? ASN Bxp 95 ? 26.743 58.973 49.025 -1.09 0 322 B
|
||||
ATOM 2790 O OD2 ? ASP Bxp 98 ? 30.977 56.310 46.763 -0.54 0 325 B
|
||||
ATOM 2755 N N ? GLY Bxp 94 ? 27.250 61.948 51.137 0.00 0 321 B
|
||||
ATOM 2739 O O ? THR Bxp 92 ? 28.656 64.809 52.499 0.00 0 319 B
|
||||
ATOM 3160 C CD2 ? LEU Bxp 143 ? 23.325 60.556 48.021 0.00 0 370 B
|
||||
ATOM 2787 C CB ? ASP Bxp 98 ? 31.035 55.730 49.067 0.00 0 325 B
|
||||
ATOM 2791 N N ? TYR Bxp 99 ? 29.822 55.330 52.001 0.00 0 326 B
|
||||
ATOM 2830 O OE2 ? GLU Bxp 102 ? 35.139 56.584 50.050 -3.35 0 329 B
|
||||
#
|
||||
|
||||
@@ -17,136 +17,136 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 2205 C CA ? LEU Bxp 21 ? 29.130 65.541 41.796 0.00 0 248 B
|
||||
ATOM 2206 C C ? LEU Bxp 21 ? 29.717 64.159 41.605 0.00 0 248 B
|
||||
ATOM 2208 C CB ? LEU Bxp 21 ? 27.777 65.366 42.511 0.00 0 248 B
|
||||
ATOM 2209 C CG ? LEU Bxp 21 ? 27.113 66.564 43.143 0.00 0 248 B
|
||||
ATOM 2210 C CD1 ? LEU Bxp 21 ? 25.721 66.211 43.675 0.00 0 248 B
|
||||
ATOM 2211 C CD2 ? LEU Bxp 21 ? 28.018 67.175 44.220 0.00 0 248 B
|
||||
ATOM 2212 N N ? GLY Bxp 22 ? 30.324 63.653 42.683 -5.89 0 249 B
|
||||
ATOM 2213 C CA ? GLY Bxp 22 ? 30.809 62.280 42.760 0.00 0 249 B
|
||||
ATOM 2230 C CD ? GLN Bxp 25 ? 29.674 58.204 42.986 0.00 0 252 B
|
||||
ATOM 2231 O OE1 ? GLN Bxp 25 ? 30.209 59.236 43.367 -1.48 0 252 B
|
||||
ATOM 2232 N NE2 ? GLN Bxp 25 ? 29.244 57.286 43.822 -1.93 0 252 B
|
||||
ATOM 2236 O O ? TYR Bxp 26 ? 24.234 61.199 37.306 -3.21 0 253 B
|
||||
ATOM 2237 C CB ? TYR Bxp 26 ? 25.215 60.955 39.865 0.00 0 253 B
|
||||
ATOM 2238 C CG ? TYR Bxp 26 ? 25.664 60.594 41.236 0.00 0 253 B
|
||||
ATOM 2239 C CD1 ? TYR Bxp 26 ? 26.701 61.329 41.870 0.00 0 253 B
|
||||
ATOM 2240 C CD2 ? TYR Bxp 26 ? 25.035 59.577 41.953 0.00 0 253 B
|
||||
ATOM 2241 C CE1 ? TYR Bxp 26 ? 27.096 61.045 43.171 0.00 0 253 B
|
||||
ATOM 2242 C CE2 ? TYR Bxp 26 ? 25.430 59.279 43.261 0.00 0 253 B
|
||||
ATOM 2243 C CZ ? TYR Bxp 26 ? 26.444 59.997 43.875 0.00 0 253 B
|
||||
ATOM 2244 O OH ? TYR Bxp 26 ? 26.823 59.711 45.218 -2.14 0 253 B
|
||||
ATOM 2262 C CB ? VAL Bxp 29 ? 23.836 64.889 39.303 0.00 0 256 B
|
||||
ATOM 2263 C CG1 ? VAL Bxp 29 ? 23.119 65.537 40.473 0.00 0 256 B
|
||||
ATOM 2264 C CG2 ? VAL Bxp 29 ? 22.917 63.990 38.678 0.00 0 256 B
|
||||
ATOM 2370 C CA ? ALA Bxp 42 ? 22.219 68.960 43.902 0.00 0 269 B
|
||||
ATOM 2371 C C ? ALA Bxp 42 ? 21.300 69.220 42.688 0.00 0 269 B
|
||||
ATOM 2372 O O ? ALA Bxp 42 ? 20.132 69.347 42.849 0.00 0 269 B
|
||||
ATOM 2373 C CB ? ALA Bxp 42 ? 22.222 67.512 44.351 0.00 0 269 B
|
||||
ATOM 2374 N N ? VAL Bxp 43 ? 21.867 69.358 41.486 0.00 0 270 B
|
||||
ATOM 2375 C CA ? VAL Bxp 43 ? 21.091 69.696 40.287 0.00 0 270 B
|
||||
ATOM 2376 C C ? VAL Bxp 43 ? 21.319 68.703 39.155 0.00 0 270 B
|
||||
ATOM 2381 N N ? LYS Bxp 44 ? 20.271 67.959 38.825 0.00 0 271 B
|
||||
ATOM 2382 C CA ? LYS Bxp 44 ? 20.254 67.065 37.672 0.00 0 271 B
|
||||
ATOM 2385 C CB ? LYS Bxp 44 ? 19.282 65.937 37.904 0.00 0 271 B
|
||||
ATOM 2386 C CG ? LYS Bxp 44 ? 19.222 64.977 36.770 0.00 0 271 B
|
||||
ATOM 2387 C CD ? LYS Bxp 44 ? 18.528 63.736 37.195 0.00 0 271 B
|
||||
ATOM 2388 C CE ? LYS Bxp 44 ? 18.651 62.752 36.130 0.00 0 271 B
|
||||
ATOM 2389 N NZ ? LYS Bxp 44 ? 17.801 61.554 36.438 -1.51 0 271 B
|
||||
ATOM 2492 O OE2 ? GLU Bxp 59 ? 15.137 61.777 38.754 -1.07 0 286 B
|
||||
ATOM 2516 S SD ? MET Bxp 63 ? 13.035 63.861 41.900 0.00 0 290 B
|
||||
ATOM 2517 C CE ? MET Bxp 63 ? 12.925 63.606 40.197 0.00 0 290 B
|
||||
ATOM 2586 C CB ? VAL Bxp 72 ? 16.623 62.462 47.700 0.00 0 299 B
|
||||
ATOM 2587 C CG1 ? VAL Bxp 72 ? 15.898 62.083 46.401 0.00 0 299 B
|
||||
ATOM 2588 C CG2 ? VAL Bxp 72 ? 17.492 63.676 47.427 0.00 0 299 B
|
||||
ATOM 2687 C C ? ILE Bxp 86 ? 16.549 69.239 39.965 0.00 0 313 B
|
||||
ATOM 2688 O O ? ILE Bxp 86 ? 17.692 68.841 39.888 0.00 0 313 B
|
||||
ATOM 2689 C CB ? ILE Bxp 86 ? 15.217 67.447 38.814 0.00 0 313 B
|
||||
ATOM 2691 C CG2 ? ILE Bxp 86 ? 14.650 66.918 40.167 0.00 0 313 B
|
||||
ATOM 2701 N N ? THR Bxp 88 ? 17.458 69.107 44.109 0.00 0 315 B
|
||||
ATOM 2705 C CB ? THR Bxp 88 ? 17.318 66.968 45.461 0.00 0 315 B
|
||||
ATOM 2706 O OG1 ? THR Bxp 88 ? 18.707 66.620 45.445 0.00 0 315 B
|
||||
ATOM 2707 C CG2 ? THR Bxp 88 ? 16.546 66.243 44.344 0.00 0 315 B
|
||||
ATOM 2710 C C ? GLU Bxp 89 ? 20.159 68.179 48.429 0.00 0 316 B
|
||||
ATOM 2711 O O ? GLU Bxp 89 ? 20.201 67.317 47.580 0.00 0 316 B
|
||||
ATOM 2717 N N ? PHE Bxp 90 ? 21.224 68.597 49.076 0.00 0 317 B
|
||||
ATOM 2718 C CA ? PHE Bxp 90 ? 22.486 68.006 48.962 0.00 0 317 B
|
||||
ATOM 2719 C C ? PHE Bxp 90 ? 22.711 67.313 50.318 0.00 0 317 B
|
||||
ATOM 2721 C CB ? PHE Bxp 90 ? 23.528 69.096 48.738 0.00 0 317 B
|
||||
ATOM 2722 C CG ? PHE Bxp 90 ? 24.909 68.577 48.615 0.00 0 317 B
|
||||
ATOM 2723 C CD1 ? PHE Bxp 90 ? 25.422 68.241 47.382 0.00 0 317 B
|
||||
ATOM 2724 C CD2 ? PHE Bxp 90 ? 25.712 68.426 49.751 0.00 0 317 B
|
||||
ATOM 2725 C CE1 ? PHE Bxp 90 ? 26.754 67.714 47.272 0.00 0 317 B
|
||||
ATOM 2726 C CE2 ? PHE Bxp 90 ? 27.029 67.952 49.661 0.00 0 317 B
|
||||
ATOM 2727 C CZ ? PHE Bxp 90 ? 27.534 67.567 48.425 0.00 0 317 B
|
||||
ATOM 2728 N N ? MET Bxp 91 ? 23.092 66.028 50.284 0.00 0 318 B
|
||||
ATOM 2729 C CA ? MET Bxp 91 ? 23.393 65.212 51.489 0.00 0 318 B
|
||||
ATOM 2730 C C ? MET Bxp 91 ? 24.873 65.174 51.701 0.00 0 318 B
|
||||
ATOM 2731 O O ? MET Bxp 91 ? 25.598 64.570 50.902 0.00 0 318 B
|
||||
ATOM 2732 C CB ? MET Bxp 91 ? 22.858 63.793 51.317 0.00 0 318 B
|
||||
ATOM 2733 C CG ? MET Bxp 91 ? 21.354 63.791 51.014 0.00 0 318 B
|
||||
ATOM 2738 C C ? THR Bxp 92 ? 27.577 64.757 53.013 0.00 0 319 B
|
||||
ATOM 2739 O O ? THR Bxp 92 ? 28.656 64.809 52.499 0.00 0 319 B
|
||||
ATOM 2744 C CA ? TYR Bxp 93 ? 27.980 62.436 53.444 0.00 0 320 B
|
||||
ATOM 2745 C C ? TYR Bxp 93 ? 27.954 61.536 52.216 0.00 0 320 B
|
||||
ATOM 2746 O O ? TYR Bxp 93 ? 28.599 60.480 52.266 -3.35 0 320 B
|
||||
ATOM 2747 C CB ? TYR Bxp 93 ? 27.862 61.633 54.754 0.00 0 320 B
|
||||
ATOM 2748 C CG ? TYR Bxp 93 ? 28.347 62.433 55.906 0.00 0 320 B
|
||||
ATOM 2750 C CD2 ? TYR Bxp 93 ? 29.699 62.458 56.235 0.00 0 320 B
|
||||
ATOM 2752 C CE2 ? TYR Bxp 93 ? 30.166 63.254 57.309 0.00 0 320 B
|
||||
ATOM 2755 N N ? GLY Bxp 94 ? 27.250 61.948 51.137 0.00 0 321 B
|
||||
ATOM 2756 C CA ? GLY Bxp 94 ? 27.234 61.247 49.837 0.00 0 321 B
|
||||
ATOM 2757 C C ? GLY Bxp 94 ? 26.450 59.948 49.898 0.00 0 321 B
|
||||
ATOM 2759 N N ? ASN Bxp 95 ? 26.743 58.973 49.025 -1.09 0 322 B
|
||||
ATOM 2762 O O ? ASN Bxp 95 ? 27.390 56.680 50.422 0.00 0 322 B
|
||||
ATOM 2764 C CG ? ASN Bxp 95 ? 27.203 56.454 47.356 0.00 0 322 B
|
||||
ATOM 2765 O OD1 ? ASN Bxp 95 ? 28.158 57.076 46.868 -2.14 0 322 B
|
||||
ATOM 2784 C CA ? ASP Bxp 98 ? 30.789 54.462 49.954 0.00 0 325 B
|
||||
ATOM 2785 C C ? ASP Bxp 98 ? 30.915 54.842 51.428 0.00 0 325 B
|
||||
ATOM 2786 O O ? ASP Bxp 98 ? 31.953 54.736 52.010 0.00 0 325 B
|
||||
ATOM 2787 C CB ? ASP Bxp 98 ? 31.035 55.730 49.067 0.00 0 325 B
|
||||
ATOM 2788 C CG ? ASP Bxp 98 ? 31.168 55.392 47.561 0.00 0 325 B
|
||||
ATOM 2790 O OD2 ? ASP Bxp 98 ? 30.977 56.310 46.763 -0.54 0 325 B
|
||||
ATOM 2791 N N ? TYR Bxp 99 ? 29.822 55.330 52.001 0.00 0 326 B
|
||||
ATOM 2792 C CA ? TYR Bxp 99 ? 29.822 55.733 53.360 0.00 0 326 B
|
||||
ATOM 2793 C C ? TYR Bxp 99 ? 30.041 54.555 54.327 0.00 0 326 B
|
||||
ATOM 2794 O O ? TYR Bxp 99 ? 30.897 54.601 55.222 0.00 0 326 B
|
||||
ATOM 2795 C CB ? TYR Bxp 99 ? 28.551 56.504 53.639 0.00 0 326 B
|
||||
ATOM 2796 C CG ? TYR Bxp 99 ? 28.460 56.897 55.063 0.00 0 326 B
|
||||
ATOM 2797 C CD1 ? TYR Bxp 99 ? 29.075 58.066 55.512 0.00 0 326 B
|
||||
ATOM 2799 C CE1 ? TYR Bxp 99 ? 29.022 58.408 56.848 0.00 0 326 B
|
||||
ATOM 2801 C CZ ? TYR Bxp 99 ? 28.332 57.583 57.750 0.00 0 326 B
|
||||
ATOM 2823 C CA ? GLU Bxp 102 ? 34.645 54.443 54.480 0.00 0 329 B
|
||||
ATOM 2824 C C ? GLU Bxp 102 ? 34.437 54.977 55.882 0.00 0 329 B
|
||||
ATOM 2825 O O ? GLU Bxp 102 ? 35.223 55.787 56.333 -0.54 0 329 B
|
||||
ATOM 2826 C CB ? GLU Bxp 102 ? 34.503 55.603 53.491 0.00 0 329 B
|
||||
ATOM 2828 C CD ? GLU Bxp 102 ? 34.812 56.554 51.238 0.00 0 329 B
|
||||
ATOM 2829 O OE1 ? GLU Bxp 102 ? 34.302 57.534 51.775 0.00 0 329 B
|
||||
ATOM 2830 O OE2 ? GLU Bxp 102 ? 35.139 56.584 50.050 -3.35 0 329 B
|
||||
ATOM 2831 N N ? CYS Bxp 103 ? 33.393 54.555 56.565 0.00 0 330 B
|
||||
ATOM 2832 C CA ? CYS Bxp 103 ? 33.088 55.081 57.860 0.00 0 330 B
|
||||
ATOM 2833 C C ? CYS Bxp 103 ? 34.047 54.644 59.003 0.00 0 330 B
|
||||
ATOM 2835 C CB ? CYS Bxp 103 ? 31.652 54.686 58.227 0.00 0 330 B
|
||||
ATOM 2837 N N ? ASN Bxp 104 ? 33.994 55.404 60.098 -1.09 0 331 B
|
||||
ATOM 3158 C CG ? LEU Bxp 143 ? 21.874 60.549 48.556 0.00 0 370 B
|
||||
ATOM 3159 C CD1 ? LEU Bxp 143 ? 21.090 61.822 48.147 0.00 0 370 B
|
||||
ATOM 3160 C CD2 ? LEU Bxp 143 ? 23.325 60.556 48.021 0.00 0 370 B
|
||||
ATOM 3231 C CA ? ALA Bxp 153 ? 16.870 58.262 46.164 0.00 0 380 B
|
||||
ATOM 3232 C C ? ALA Bxp 153 ? 16.808 57.271 45.022 0.00 0 380 B
|
||||
ATOM 3234 C CB ? ALA Bxp 153 ? 18.132 59.089 46.069 0.00 0 380 B
|
||||
ATOM 3235 N N ? ASP Bxp 154 ? 16.818 57.772 43.787 0.00 0 381 B
|
||||
ATOM 3236 C CA ? ASP Bxp 154 ? 16.888 56.922 42.584 0.00 0 381 B
|
||||
ATOM 3237 C C ? ASP Bxp 154 ? 17.708 57.721 41.604 0.00 0 381 B
|
||||
ATOM 3238 O O ? ASP Bxp 154 ? 17.212 58.730 41.018 -2.14 0 381 B
|
||||
ATOM 3243 N N ? PHE Bxp 155 ? 18.964 57.294 41.435 0.00 0 382 B
|
||||
ATOM 3244 C CA ? PHE Bxp 155 ? 19.890 58.074 40.595 0.00 0 382 B
|
||||
ATOM 3245 C C ? PHE Bxp 155 ? 19.859 57.712 39.087 0.00 0 382 B
|
||||
ATOM 3246 O O ? PHE Bxp 155 ? 20.558 58.316 38.318 -3.21 0 382 B
|
||||
ATOM 3247 C CB ? PHE Bxp 155 ? 21.327 58.002 41.139 0.00 0 382 B
|
||||
ATOM 3248 C CG ? PHE Bxp 155 ? 21.461 58.477 42.526 0.00 0 382 B
|
||||
ATOM 3250 C CD2 ? PHE Bxp 155 ? 20.792 59.659 42.947 0.00 0 382 B
|
||||
ATOM 3251 C CE1 ? PHE Bxp 155 ? 22.342 58.187 44.749 0.00 0 382 B
|
||||
ATOM 3252 C CE2 ? PHE Bxp 155 ? 20.900 60.083 44.236 0.00 0 382 B
|
||||
ATOM 3253 C CZ ? PHE Bxp 155 ? 21.682 59.344 45.142 0.00 0 382 B
|
||||
ATOM 2205 C CA ? LEU Bxp 21 ? 29.130 65.541 41.796 0.00 0 248 B
|
||||
ATOM 2206 C C ? LEU Bxp 21 ? 29.717 64.159 41.605 0.00 0 248 B
|
||||
ATOM 2208 C CB ? LEU Bxp 21 ? 27.777 65.366 42.511 0.00 0 248 B
|
||||
ATOM 2209 C CG ? LEU Bxp 21 ? 27.113 66.564 43.143 0.00 0 248 B
|
||||
ATOM 2210 C CD1 ? LEU Bxp 21 ? 25.721 66.211 43.675 0.00 0 248 B
|
||||
ATOM 2211 C CD2 ? LEU Bxp 21 ? 28.018 67.175 44.220 0.00 0 248 B
|
||||
ATOM 2212 N N ? GLY Bxp 22 ? 30.324 63.653 42.683 -5.89 0 249 B
|
||||
ATOM 2213 C CA ? GLY Bxp 22 ? 30.809 62.280 42.760 0.00 0 249 B
|
||||
ATOM 2230 C CD ? GLN Bxp 25 ? 29.674 58.204 42.986 0.00 0 252 B
|
||||
ATOM 2231 O OE1 ? GLN Bxp 25 ? 30.209 59.236 43.367 -1.48 0 252 B
|
||||
ATOM 2232 N NE2 ? GLN Bxp 25 ? 29.244 57.286 43.822 -1.93 0 252 B
|
||||
ATOM 2236 O O ? TYR Bxp 26 ? 24.234 61.199 37.306 -3.21 0 253 B
|
||||
ATOM 2237 C CB ? TYR Bxp 26 ? 25.215 60.955 39.865 0.00 0 253 B
|
||||
ATOM 2238 C CG ? TYR Bxp 26 ? 25.664 60.594 41.236 0.00 0 253 B
|
||||
ATOM 2239 C CD1 ? TYR Bxp 26 ? 26.701 61.329 41.870 0.00 0 253 B
|
||||
ATOM 2240 C CD2 ? TYR Bxp 26 ? 25.035 59.577 41.953 0.00 0 253 B
|
||||
ATOM 2241 C CE1 ? TYR Bxp 26 ? 27.096 61.045 43.171 0.00 0 253 B
|
||||
ATOM 2242 C CE2 ? TYR Bxp 26 ? 25.430 59.279 43.261 0.00 0 253 B
|
||||
ATOM 2243 C CZ ? TYR Bxp 26 ? 26.444 59.997 43.875 0.00 0 253 B
|
||||
ATOM 2244 O OH ? TYR Bxp 26 ? 26.823 59.711 45.218 -2.14 0 253 B
|
||||
ATOM 2262 C CB ? VAL Bxp 29 ? 23.836 64.889 39.303 0.00 0 256 B
|
||||
ATOM 2263 C CG1 ? VAL Bxp 29 ? 23.119 65.537 40.473 0.00 0 256 B
|
||||
ATOM 2264 C CG2 ? VAL Bxp 29 ? 22.917 63.990 38.678 0.00 0 256 B
|
||||
ATOM 2370 C CA ? ALA Bxp 42 ? 22.219 68.960 43.902 0.00 0 269 B
|
||||
ATOM 2371 C C ? ALA Bxp 42 ? 21.300 69.220 42.688 0.00 0 269 B
|
||||
ATOM 2372 O O ? ALA Bxp 42 ? 20.132 69.347 42.849 0.00 0 269 B
|
||||
ATOM 2373 C CB ? ALA Bxp 42 ? 22.222 67.512 44.351 0.00 0 269 B
|
||||
ATOM 2374 N N ? VAL Bxp 43 ? 21.867 69.358 41.486 0.00 0 270 B
|
||||
ATOM 2375 C CA ? VAL Bxp 43 ? 21.091 69.696 40.287 0.00 0 270 B
|
||||
ATOM 2376 C C ? VAL Bxp 43 ? 21.319 68.703 39.155 0.00 0 270 B
|
||||
ATOM 2381 N N ? LYS Bxp 44 ? 20.271 67.959 38.825 0.00 0 271 B
|
||||
ATOM 2382 C CA ? LYS Bxp 44 ? 20.254 67.065 37.672 0.00 0 271 B
|
||||
ATOM 2385 C CB ? LYS Bxp 44 ? 19.282 65.937 37.904 0.00 0 271 B
|
||||
ATOM 2386 C CG ? LYS Bxp 44 ? 19.222 64.977 36.770 0.00 0 271 B
|
||||
ATOM 2387 C CD ? LYS Bxp 44 ? 18.528 63.736 37.195 0.00 0 271 B
|
||||
ATOM 2388 C CE ? LYS Bxp 44 ? 18.651 62.752 36.130 0.00 0 271 B
|
||||
ATOM 2389 N NZ ? LYS Bxp 44 ? 17.801 61.554 36.438 -1.51 0 271 B
|
||||
ATOM 2492 O OE2 ? GLU Bxp 59 ? 15.137 61.777 38.754 -1.07 0 286 B
|
||||
ATOM 2516 S SD ? MET Bxp 63 ? 13.035 63.861 41.900 0.00 0 290 B
|
||||
ATOM 2517 C CE ? MET Bxp 63 ? 12.925 63.606 40.197 0.00 0 290 B
|
||||
ATOM 2586 C CB ? VAL Bxp 72 ? 16.623 62.462 47.700 0.00 0 299 B
|
||||
ATOM 2587 C CG1 ? VAL Bxp 72 ? 15.898 62.083 46.401 0.00 0 299 B
|
||||
ATOM 2588 C CG2 ? VAL Bxp 72 ? 17.492 63.676 47.427 0.00 0 299 B
|
||||
ATOM 2687 C C ? ILE Bxp 86 ? 16.549 69.239 39.965 0.00 0 313 B
|
||||
ATOM 2688 O O ? ILE Bxp 86 ? 17.692 68.841 39.888 0.00 0 313 B
|
||||
ATOM 2689 C CB ? ILE Bxp 86 ? 15.217 67.447 38.814 0.00 0 313 B
|
||||
ATOM 2691 C CG2 ? ILE Bxp 86 ? 14.650 66.918 40.167 0.00 0 313 B
|
||||
ATOM 2701 N N ? THR Bxp 88 ? 17.458 69.107 44.109 0.00 0 315 B
|
||||
ATOM 2705 C CB ? THR Bxp 88 ? 17.318 66.968 45.461 0.00 0 315 B
|
||||
ATOM 2706 O OG1 ? THR Bxp 88 ? 18.707 66.620 45.445 0.00 0 315 B
|
||||
ATOM 2707 C CG2 ? THR Bxp 88 ? 16.546 66.243 44.344 0.00 0 315 B
|
||||
ATOM 2710 C C ? GLU Bxp 89 ? 20.159 68.179 48.429 0.00 0 316 B
|
||||
ATOM 2711 O O ? GLU Bxp 89 ? 20.201 67.317 47.580 0.00 0 316 B
|
||||
ATOM 2717 N N ? PHE Bxp 90 ? 21.224 68.597 49.076 0.00 0 317 B
|
||||
ATOM 2718 C CA ? PHE Bxp 90 ? 22.486 68.006 48.962 0.00 0 317 B
|
||||
ATOM 2719 C C ? PHE Bxp 90 ? 22.711 67.313 50.318 0.00 0 317 B
|
||||
ATOM 2721 C CB ? PHE Bxp 90 ? 23.528 69.096 48.738 0.00 0 317 B
|
||||
ATOM 2722 C CG ? PHE Bxp 90 ? 24.909 68.577 48.615 0.00 0 317 B
|
||||
ATOM 2723 C CD1 ? PHE Bxp 90 ? 25.422 68.241 47.382 0.00 0 317 B
|
||||
ATOM 2724 C CD2 ? PHE Bxp 90 ? 25.712 68.426 49.751 0.00 0 317 B
|
||||
ATOM 2725 C CE1 ? PHE Bxp 90 ? 26.754 67.714 47.272 0.00 0 317 B
|
||||
ATOM 2726 C CE2 ? PHE Bxp 90 ? 27.029 67.952 49.661 0.00 0 317 B
|
||||
ATOM 2727 C CZ ? PHE Bxp 90 ? 27.534 67.567 48.425 0.00 0 317 B
|
||||
ATOM 2728 N N ? MET Bxp 91 ? 23.092 66.028 50.284 0.00 0 318 B
|
||||
ATOM 2729 C CA ? MET Bxp 91 ? 23.393 65.212 51.489 0.00 0 318 B
|
||||
ATOM 2730 C C ? MET Bxp 91 ? 24.873 65.174 51.701 0.00 0 318 B
|
||||
ATOM 2731 O O ? MET Bxp 91 ? 25.598 64.570 50.902 0.00 0 318 B
|
||||
ATOM 2732 C CB ? MET Bxp 91 ? 22.858 63.793 51.317 0.00 0 318 B
|
||||
ATOM 2733 C CG ? MET Bxp 91 ? 21.354 63.791 51.014 0.00 0 318 B
|
||||
ATOM 2738 C C ? THR Bxp 92 ? 27.577 64.757 53.013 0.00 0 319 B
|
||||
ATOM 2739 O O ? THR Bxp 92 ? 28.656 64.809 52.499 0.00 0 319 B
|
||||
ATOM 2744 C CA ? TYR Bxp 93 ? 27.980 62.436 53.444 0.00 0 320 B
|
||||
ATOM 2745 C C ? TYR Bxp 93 ? 27.954 61.536 52.216 0.00 0 320 B
|
||||
ATOM 2746 O O ? TYR Bxp 93 ? 28.599 60.480 52.266 -3.35 0 320 B
|
||||
ATOM 2747 C CB ? TYR Bxp 93 ? 27.862 61.633 54.754 0.00 0 320 B
|
||||
ATOM 2748 C CG ? TYR Bxp 93 ? 28.347 62.433 55.906 0.00 0 320 B
|
||||
ATOM 2750 C CD2 ? TYR Bxp 93 ? 29.699 62.458 56.235 0.00 0 320 B
|
||||
ATOM 2752 C CE2 ? TYR Bxp 93 ? 30.166 63.254 57.309 0.00 0 320 B
|
||||
ATOM 2755 N N ? GLY Bxp 94 ? 27.250 61.948 51.137 0.00 0 321 B
|
||||
ATOM 2756 C CA ? GLY Bxp 94 ? 27.234 61.247 49.837 0.00 0 321 B
|
||||
ATOM 2757 C C ? GLY Bxp 94 ? 26.450 59.948 49.898 0.00 0 321 B
|
||||
ATOM 2759 N N ? ASN Bxp 95 ? 26.743 58.973 49.025 -1.09 0 322 B
|
||||
ATOM 2762 O O ? ASN Bxp 95 ? 27.390 56.680 50.422 0.00 0 322 B
|
||||
ATOM 2764 C CG ? ASN Bxp 95 ? 27.203 56.454 47.356 0.00 0 322 B
|
||||
ATOM 2765 O OD1 ? ASN Bxp 95 ? 28.158 57.076 46.868 -2.14 0 322 B
|
||||
ATOM 2784 C CA ? ASP Bxp 98 ? 30.789 54.462 49.954 0.00 0 325 B
|
||||
ATOM 2785 C C ? ASP Bxp 98 ? 30.915 54.842 51.428 0.00 0 325 B
|
||||
ATOM 2786 O O ? ASP Bxp 98 ? 31.953 54.736 52.010 0.00 0 325 B
|
||||
ATOM 2787 C CB ? ASP Bxp 98 ? 31.035 55.730 49.067 0.00 0 325 B
|
||||
ATOM 2788 C CG ? ASP Bxp 98 ? 31.168 55.392 47.561 0.00 0 325 B
|
||||
ATOM 2790 O OD2 ? ASP Bxp 98 ? 30.977 56.310 46.763 -0.54 0 325 B
|
||||
ATOM 2791 N N ? TYR Bxp 99 ? 29.822 55.330 52.001 0.00 0 326 B
|
||||
ATOM 2792 C CA ? TYR Bxp 99 ? 29.822 55.733 53.360 0.00 0 326 B
|
||||
ATOM 2793 C C ? TYR Bxp 99 ? 30.041 54.555 54.327 0.00 0 326 B
|
||||
ATOM 2794 O O ? TYR Bxp 99 ? 30.897 54.601 55.222 0.00 0 326 B
|
||||
ATOM 2795 C CB ? TYR Bxp 99 ? 28.551 56.504 53.639 0.00 0 326 B
|
||||
ATOM 2796 C CG ? TYR Bxp 99 ? 28.460 56.897 55.063 0.00 0 326 B
|
||||
ATOM 2797 C CD1 ? TYR Bxp 99 ? 29.075 58.066 55.512 0.00 0 326 B
|
||||
ATOM 2799 C CE1 ? TYR Bxp 99 ? 29.022 58.408 56.848 0.00 0 326 B
|
||||
ATOM 2801 C CZ ? TYR Bxp 99 ? 28.332 57.583 57.750 0.00 0 326 B
|
||||
ATOM 2823 C CA ? GLU Bxp 102 ? 34.645 54.443 54.480 0.00 0 329 B
|
||||
ATOM 2824 C C ? GLU Bxp 102 ? 34.437 54.977 55.882 0.00 0 329 B
|
||||
ATOM 2825 O O ? GLU Bxp 102 ? 35.223 55.787 56.333 -0.54 0 329 B
|
||||
ATOM 2826 C CB ? GLU Bxp 102 ? 34.503 55.603 53.491 0.00 0 329 B
|
||||
ATOM 2828 C CD ? GLU Bxp 102 ? 34.812 56.554 51.238 0.00 0 329 B
|
||||
ATOM 2829 O OE1 ? GLU Bxp 102 ? 34.302 57.534 51.775 0.00 0 329 B
|
||||
ATOM 2830 O OE2 ? GLU Bxp 102 ? 35.139 56.584 50.050 -3.35 0 329 B
|
||||
ATOM 2831 N N ? CYS Bxp 103 ? 33.393 54.555 56.565 0.00 0 330 B
|
||||
ATOM 2832 C CA ? CYS Bxp 103 ? 33.088 55.081 57.860 0.00 0 330 B
|
||||
ATOM 2833 C C ? CYS Bxp 103 ? 34.047 54.644 59.003 0.00 0 330 B
|
||||
ATOM 2835 C CB ? CYS Bxp 103 ? 31.652 54.686 58.227 0.00 0 330 B
|
||||
ATOM 2837 N N ? ASN Bxp 104 ? 33.994 55.404 60.098 -1.09 0 331 B
|
||||
ATOM 3158 C CG ? LEU Bxp 143 ? 21.874 60.549 48.556 0.00 0 370 B
|
||||
ATOM 3159 C CD1 ? LEU Bxp 143 ? 21.090 61.822 48.147 0.00 0 370 B
|
||||
ATOM 3160 C CD2 ? LEU Bxp 143 ? 23.325 60.556 48.021 0.00 0 370 B
|
||||
ATOM 3231 C CA ? ALA Bxp 153 ? 16.870 58.262 46.164 0.00 0 380 B
|
||||
ATOM 3232 C C ? ALA Bxp 153 ? 16.808 57.271 45.022 0.00 0 380 B
|
||||
ATOM 3234 C CB ? ALA Bxp 153 ? 18.132 59.089 46.069 0.00 0 380 B
|
||||
ATOM 3235 N N ? ASP Bxp 154 ? 16.818 57.772 43.787 0.00 0 381 B
|
||||
ATOM 3236 C CA ? ASP Bxp 154 ? 16.888 56.922 42.584 0.00 0 381 B
|
||||
ATOM 3237 C C ? ASP Bxp 154 ? 17.708 57.721 41.604 0.00 0 381 B
|
||||
ATOM 3238 O O ? ASP Bxp 154 ? 17.212 58.730 41.018 -2.14 0 381 B
|
||||
ATOM 3243 N N ? PHE Bxp 155 ? 18.964 57.294 41.435 0.00 0 382 B
|
||||
ATOM 3244 C CA ? PHE Bxp 155 ? 19.890 58.074 40.595 0.00 0 382 B
|
||||
ATOM 3245 C C ? PHE Bxp 155 ? 19.859 57.712 39.087 0.00 0 382 B
|
||||
ATOM 3246 O O ? PHE Bxp 155 ? 20.558 58.316 38.318 -3.21 0 382 B
|
||||
ATOM 3247 C CB ? PHE Bxp 155 ? 21.327 58.002 41.139 0.00 0 382 B
|
||||
ATOM 3248 C CG ? PHE Bxp 155 ? 21.461 58.477 42.526 0.00 0 382 B
|
||||
ATOM 3250 C CD2 ? PHE Bxp 155 ? 20.792 59.659 42.947 0.00 0 382 B
|
||||
ATOM 3251 C CE1 ? PHE Bxp 155 ? 22.342 58.187 44.749 0.00 0 382 B
|
||||
ATOM 3252 C CE2 ? PHE Bxp 155 ? 20.900 60.083 44.236 0.00 0 382 B
|
||||
ATOM 3253 C CZ ? PHE Bxp 155 ? 21.682 59.344 45.142 0.00 0 382 B
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 50:
|
||||
6 - Hydrophobicity Score : 14.1000
|
||||
7 - Polarity Score : 7
|
||||
8 - Amino Acid based volume Score : 4.0000
|
||||
9 - Pocket volume (Monte Carlo) : 272.9998
|
||||
9 - Pocket volume (Monte Carlo) : 275.0123
|
||||
10 -Pocket volume (convex hull) : 20.3498
|
||||
11 - Charge Score : -1
|
||||
12 - Local hydrophobic density Score : 0.0000
|
||||
@@ -39,25 +39,25 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 7351 N N ? ASN Dxp 147 ? 61.301 21.977 27.980 -1.51 0 374 D
|
||||
ATOM 7347 C CG ? GLU Dxp 146 ? 64.890 22.259 29.041 0.00 0 373 D
|
||||
ATOM 7357 O OD1 ? ASN Dxp 147 ? 62.276 22.061 24.845 0.00 0 374 D
|
||||
ATOM 6924 O OH ? TYR Dxp 93 ? 64.217 26.725 30.486 0.00 0 320 D
|
||||
ATOM 7043 O OE2 ? GLU Dxp 107 ? 58.461 28.097 26.697 0.00 0 334 D
|
||||
ATOM 7352 C CA ? ASN Dxp 147 ? 60.354 21.610 26.948 0.00 0 374 D
|
||||
ATOM 7368 N NE2 ? HIS Dxp 148 ? 57.049 25.692 26.843 0.00 0 375 D
|
||||
ATOM 6921 C CE1 ? TYR Dxp 93 ? 62.960 25.184 31.767 0.00 0 320 D
|
||||
ATOM 6923 C CZ ? TYR Dxp 93 ? 63.348 26.475 31.520 0.00 0 320 D
|
||||
ATOM 7341 O O ? GLY Dxp 145 ? 60.537 22.517 31.591 -2.14 0 372 D
|
||||
ATOM 6972 O OH ? TYR Dxp 99 ? 57.322 26.754 30.435 -7.50 0 326 D
|
||||
ATOM 7366 C CD2 ? HIS Dxp 148 ? 56.698 24.973 27.966 0.00 0 375 D
|
||||
ATOM 7042 O OE1 ? GLU Dxp 107 ? 58.654 30.340 26.481 0.00 0 334 D
|
||||
ATOM 7005 C CB ? CYS Dxp 103 ? 54.589 31.213 31.358 0.00 0 330 D
|
||||
ATOM 6969 C CE1 ? TYR Dxp 99 ? 57.793 27.460 32.634 0.00 0 326 D
|
||||
ATOM 7002 C CA ? CYS Dxp 103 ? 55.212 32.554 31.707 0.00 0 330 D
|
||||
ATOM 7007 N N ? ASN Dxp 104 ? 55.693 33.399 29.499 -2.19 0 331 D
|
||||
ATOM 7050 C CG2 ? VAL Dxp 108 ? 54.739 28.456 28.775 0.00 0 335 D
|
||||
ATOM 6922 C CE2 ? TYR Dxp 93 ? 62.885 27.524 32.288 0.00 0 320 D
|
||||
ATOM 7359 N N ? HIS Dxp 148 ? 58.520 21.986 28.512 0.00 0 375 D
|
||||
ATOM 7367 C CE1 ? HIS Dxp 148 ? 57.036 24.884 25.794 0.00 0 375 D
|
||||
ATOM 7351 N N ? ASN Dxp 147 ? 61.301 21.977 27.980 -1.51 0 374 D
|
||||
ATOM 7347 C CG ? GLU Dxp 146 ? 64.890 22.259 29.041 0.00 0 373 D
|
||||
ATOM 7357 O OD1 ? ASN Dxp 147 ? 62.276 22.061 24.845 0.00 0 374 D
|
||||
ATOM 6924 O OH ? TYR Dxp 93 ? 64.217 26.725 30.486 0.00 0 320 D
|
||||
ATOM 7043 O OE2 ? GLU Dxp 107 ? 58.461 28.097 26.697 0.00 0 334 D
|
||||
ATOM 7352 C CA ? ASN Dxp 147 ? 60.354 21.610 26.948 0.00 0 374 D
|
||||
ATOM 7368 N NE2 ? HIS Dxp 148 ? 57.049 25.692 26.843 0.00 0 375 D
|
||||
ATOM 6921 C CE1 ? TYR Dxp 93 ? 62.960 25.184 31.767 0.00 0 320 D
|
||||
ATOM 6923 C CZ ? TYR Dxp 93 ? 63.348 26.475 31.520 0.00 0 320 D
|
||||
ATOM 7341 O O ? GLY Dxp 145 ? 60.537 22.517 31.591 -2.14 0 372 D
|
||||
ATOM 6972 O OH ? TYR Dxp 99 ? 57.322 26.754 30.435 -7.50 0 326 D
|
||||
ATOM 7366 C CD2 ? HIS Dxp 148 ? 56.698 24.973 27.966 0.00 0 375 D
|
||||
ATOM 7042 O OE1 ? GLU Dxp 107 ? 58.654 30.340 26.481 0.00 0 334 D
|
||||
ATOM 7005 C CB ? CYS Dxp 103 ? 54.589 31.213 31.358 0.00 0 330 D
|
||||
ATOM 6969 C CE1 ? TYR Dxp 99 ? 57.793 27.460 32.634 0.00 0 326 D
|
||||
ATOM 7002 C CA ? CYS Dxp 103 ? 55.212 32.554 31.707 0.00 0 330 D
|
||||
ATOM 7007 N N ? ASN Dxp 104 ? 55.693 33.399 29.499 -2.19 0 331 D
|
||||
ATOM 7050 C CG2 ? VAL Dxp 108 ? 54.739 28.456 28.775 0.00 0 335 D
|
||||
ATOM 6922 C CE2 ? TYR Dxp 93 ? 62.885 27.524 32.288 0.00 0 320 D
|
||||
ATOM 7359 N N ? HIS Dxp 148 ? 58.520 21.986 28.512 0.00 0 375 D
|
||||
ATOM 7367 C CE1 ? HIS Dxp 148 ? 57.036 24.884 25.794 0.00 0 375 D
|
||||
#
|
||||
|
||||
@@ -17,44 +17,44 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 6918 C CG ? TYR Dxp 93 ? 61.580 25.958 33.620 0.00 0 320 D
|
||||
ATOM 6919 C CD1 ? TYR Dxp 93 ? 62.073 24.934 32.829 0.00 0 320 D
|
||||
ATOM 6920 C CD2 ? TYR Dxp 93 ? 62.005 27.260 33.344 0.00 0 320 D
|
||||
ATOM 6921 C CE1 ? TYR Dxp 93 ? 62.960 25.184 31.767 0.00 0 320 D
|
||||
ATOM 6922 C CE2 ? TYR Dxp 93 ? 62.885 27.524 32.288 0.00 0 320 D
|
||||
ATOM 6923 C CZ ? TYR Dxp 93 ? 63.348 26.475 31.520 0.00 0 320 D
|
||||
ATOM 6924 O OH ? TYR Dxp 93 ? 64.217 26.725 30.486 0.00 0 320 D
|
||||
ATOM 6967 C CD1 ? TYR Dxp 99 ? 57.416 27.594 33.942 0.00 0 326 D
|
||||
ATOM 6969 C CE1 ? TYR Dxp 99 ? 57.793 27.460 32.634 0.00 0 326 D
|
||||
ATOM 6971 C CZ ? TYR Dxp 99 ? 56.929 26.941 31.737 0.00 0 326 D
|
||||
ATOM 6972 O OH ? TYR Dxp 99 ? 57.322 26.754 30.435 -7.50 0 326 D
|
||||
ATOM 7002 C CA ? CYS Dxp 103 ? 55.212 32.554 31.707 0.00 0 330 D
|
||||
ATOM 7003 C C ? CYS Dxp 103 ? 54.962 33.593 30.584 0.00 0 330 D
|
||||
ATOM 7005 C CB ? CYS Dxp 103 ? 54.589 31.213 31.358 0.00 0 330 D
|
||||
ATOM 7007 N N ? ASN Dxp 104 ? 55.693 33.399 29.499 -2.19 0 331 D
|
||||
ATOM 7010 O O ? ASN Dxp 104 ? 54.481 31.968 27.138 0.00 0 331 D
|
||||
ATOM 7011 C CB ? ASN Dxp 104 ? 56.639 33.986 27.354 0.00 0 331 D
|
||||
ATOM 7041 C CD ? GLU Dxp 107 ? 58.217 29.195 26.125 0.00 0 334 D
|
||||
ATOM 7042 O OE1 ? GLU Dxp 107 ? 58.654 30.340 26.481 0.00 0 334 D
|
||||
ATOM 7043 O OE2 ? GLU Dxp 107 ? 58.461 28.097 26.697 0.00 0 334 D
|
||||
ATOM 7050 C CG2 ? VAL Dxp 108 ? 54.739 28.456 28.775 0.00 0 335 D
|
||||
ATOM 7341 O O ? GLY Dxp 145 ? 60.537 22.517 31.591 -2.14 0 372 D
|
||||
ATOM 7343 C CA ? GLU Dxp 146 ? 62.611 21.622 29.923 0.00 0 373 D
|
||||
ATOM 7344 C C ? GLU Dxp 146 ? 61.581 21.137 28.962 0.00 0 373 D
|
||||
ATOM 7346 C CB ? GLU Dxp 146 ? 63.998 21.099 29.466 0.00 0 373 D
|
||||
ATOM 7347 C CG ? GLU Dxp 146 ? 64.890 22.259 29.041 0.00 0 373 D
|
||||
ATOM 7348 C CD ? GLU Dxp 146 ? 65.713 22.782 30.201 0.00 0 373 D
|
||||
ATOM 7350 O OE2 ? GLU Dxp 146 ? 65.715 24.016 30.466 0.00 0 373 D
|
||||
ATOM 7351 N N ? ASN Dxp 147 ? 61.301 21.977 27.980 -1.51 0 374 D
|
||||
ATOM 7352 C CA ? ASN Dxp 147 ? 60.354 21.610 26.948 0.00 0 374 D
|
||||
ATOM 7353 C C ? ASN Dxp 147 ? 58.958 21.268 27.449 0.00 0 374 D
|
||||
ATOM 7356 C CG ? ASN Dxp 147 ? 62.238 20.932 25.383 0.00 0 374 D
|
||||
ATOM 7357 O OD1 ? ASN Dxp 147 ? 62.276 22.061 24.845 0.00 0 374 D
|
||||
ATOM 7359 N N ? HIS Dxp 148 ? 58.520 21.986 28.512 0.00 0 375 D
|
||||
ATOM 7360 C CA ? HIS Dxp 148 ? 57.206 21.892 29.206 0.00 0 375 D
|
||||
ATOM 7364 C CG ? HIS Dxp 148 ? 56.483 23.691 27.565 0.00 0 375 D
|
||||
ATOM 7365 N ND1 ? HIS Dxp 148 ? 56.709 23.664 26.200 0.00 0 375 D
|
||||
ATOM 7366 C CD2 ? HIS Dxp 148 ? 56.698 24.973 27.966 0.00 0 375 D
|
||||
ATOM 7367 C CE1 ? HIS Dxp 148 ? 57.036 24.884 25.794 0.00 0 375 D
|
||||
ATOM 7368 N NE2 ? HIS Dxp 148 ? 57.049 25.692 26.843 0.00 0 375 D
|
||||
ATOM 6918 C CG ? TYR Dxp 93 ? 61.580 25.958 33.620 0.00 0 320 D
|
||||
ATOM 6919 C CD1 ? TYR Dxp 93 ? 62.073 24.934 32.829 0.00 0 320 D
|
||||
ATOM 6920 C CD2 ? TYR Dxp 93 ? 62.005 27.260 33.344 0.00 0 320 D
|
||||
ATOM 6921 C CE1 ? TYR Dxp 93 ? 62.960 25.184 31.767 0.00 0 320 D
|
||||
ATOM 6922 C CE2 ? TYR Dxp 93 ? 62.885 27.524 32.288 0.00 0 320 D
|
||||
ATOM 6923 C CZ ? TYR Dxp 93 ? 63.348 26.475 31.520 0.00 0 320 D
|
||||
ATOM 6924 O OH ? TYR Dxp 93 ? 64.217 26.725 30.486 0.00 0 320 D
|
||||
ATOM 6967 C CD1 ? TYR Dxp 99 ? 57.416 27.594 33.942 0.00 0 326 D
|
||||
ATOM 6969 C CE1 ? TYR Dxp 99 ? 57.793 27.460 32.634 0.00 0 326 D
|
||||
ATOM 6971 C CZ ? TYR Dxp 99 ? 56.929 26.941 31.737 0.00 0 326 D
|
||||
ATOM 6972 O OH ? TYR Dxp 99 ? 57.322 26.754 30.435 -7.50 0 326 D
|
||||
ATOM 7002 C CA ? CYS Dxp 103 ? 55.212 32.554 31.707 0.00 0 330 D
|
||||
ATOM 7003 C C ? CYS Dxp 103 ? 54.962 33.593 30.584 0.00 0 330 D
|
||||
ATOM 7005 C CB ? CYS Dxp 103 ? 54.589 31.213 31.358 0.00 0 330 D
|
||||
ATOM 7007 N N ? ASN Dxp 104 ? 55.693 33.399 29.499 -2.19 0 331 D
|
||||
ATOM 7010 O O ? ASN Dxp 104 ? 54.481 31.968 27.138 0.00 0 331 D
|
||||
ATOM 7011 C CB ? ASN Dxp 104 ? 56.639 33.986 27.354 0.00 0 331 D
|
||||
ATOM 7041 C CD ? GLU Dxp 107 ? 58.217 29.195 26.125 0.00 0 334 D
|
||||
ATOM 7042 O OE1 ? GLU Dxp 107 ? 58.654 30.340 26.481 0.00 0 334 D
|
||||
ATOM 7043 O OE2 ? GLU Dxp 107 ? 58.461 28.097 26.697 0.00 0 334 D
|
||||
ATOM 7050 C CG2 ? VAL Dxp 108 ? 54.739 28.456 28.775 0.00 0 335 D
|
||||
ATOM 7341 O O ? GLY Dxp 145 ? 60.537 22.517 31.591 -2.14 0 372 D
|
||||
ATOM 7343 C CA ? GLU Dxp 146 ? 62.611 21.622 29.923 0.00 0 373 D
|
||||
ATOM 7344 C C ? GLU Dxp 146 ? 61.581 21.137 28.962 0.00 0 373 D
|
||||
ATOM 7346 C CB ? GLU Dxp 146 ? 63.998 21.099 29.466 0.00 0 373 D
|
||||
ATOM 7347 C CG ? GLU Dxp 146 ? 64.890 22.259 29.041 0.00 0 373 D
|
||||
ATOM 7348 C CD ? GLU Dxp 146 ? 65.713 22.782 30.201 0.00 0 373 D
|
||||
ATOM 7350 O OE2 ? GLU Dxp 146 ? 65.715 24.016 30.466 0.00 0 373 D
|
||||
ATOM 7351 N N ? ASN Dxp 147 ? 61.301 21.977 27.980 -1.51 0 374 D
|
||||
ATOM 7352 C CA ? ASN Dxp 147 ? 60.354 21.610 26.948 0.00 0 374 D
|
||||
ATOM 7353 C C ? ASN Dxp 147 ? 58.958 21.268 27.449 0.00 0 374 D
|
||||
ATOM 7356 C CG ? ASN Dxp 147 ? 62.238 20.932 25.383 0.00 0 374 D
|
||||
ATOM 7357 O OD1 ? ASN Dxp 147 ? 62.276 22.061 24.845 0.00 0 374 D
|
||||
ATOM 7359 N N ? HIS Dxp 148 ? 58.520 21.986 28.512 0.00 0 375 D
|
||||
ATOM 7360 C CA ? HIS Dxp 148 ? 57.206 21.892 29.206 0.00 0 375 D
|
||||
ATOM 7364 C CG ? HIS Dxp 148 ? 56.483 23.691 27.565 0.00 0 375 D
|
||||
ATOM 7365 N ND1 ? HIS Dxp 148 ? 56.709 23.664 26.200 0.00 0 375 D
|
||||
ATOM 7366 C CD2 ? HIS Dxp 148 ? 56.698 24.973 27.966 0.00 0 375 D
|
||||
ATOM 7367 C CE1 ? HIS Dxp 148 ? 57.036 24.884 25.794 0.00 0 375 D
|
||||
ATOM 7368 N NE2 ? HIS Dxp 148 ? 57.049 25.692 26.843 0.00 0 375 D
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 51:
|
||||
6 - Hydrophobicity Score : 47.8000
|
||||
7 - Polarity Score : 2
|
||||
8 - Amino Acid based volume Score : 4.6000
|
||||
9 - Pocket volume (Monte Carlo) : 149.1685
|
||||
9 - Pocket volume (Monte Carlo) : 150.7176
|
||||
10 -Pocket volume (convex hull) : 1.2098
|
||||
11 - Charge Score : -1
|
||||
12 - Local hydrophobic density Score : 9.0000
|
||||
@@ -39,16 +39,16 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 7225 C CA ? ASN Dxp 131 ? 45.924 1.800 43.735 0.00 0 358 D
|
||||
ATOM 7200 O O ? GLU Dxp 128 ? 44.959 2.499 40.390 -0.14 0 355 D
|
||||
ATOM 7230 O OD1 ? ASN Dxp 131 ? 43.485 0.069 43.521 0.00 0 358 D
|
||||
ATOM 7694 C CB ? ILE Dxp 191 ? 41.235 6.974 42.618 0.00 0 418 D
|
||||
ATOM 7235 O O ? PHE Dxp 132 ? 45.787 6.192 44.018 -1.07 0 359 D
|
||||
ATOM 7695 C CG1 ? ILE Dxp 191 ? 42.349 7.275 41.648 0.00 0 418 D
|
||||
ATOM 7226 C C ? ASN Dxp 131 ? 46.470 2.830 44.735 0.00 0 358 D
|
||||
ATOM 7227 O O ? ASN Dxp 131 ? 46.271 2.712 45.961 -3.21 0 358 D
|
||||
ATOM 7250 C CD1 ? ILE Dxp 133 ? 43.160 6.151 47.790 0.00 0 360 D
|
||||
ATOM 7248 C CG1 ? ILE Dxp 133 ? 43.620 7.064 46.639 0.00 0 360 D
|
||||
ATOM 7696 C CG2 ? ILE Dxp 191 ? 40.009 6.304 41.967 0.00 0 418 D
|
||||
ATOM 7690 N N ? ILE Dxp 191 ? 40.443 7.897 44.749 -1.09 0 418 D
|
||||
ATOM 7225 C CA ? ASN Dxp 131 ? 45.924 1.800 43.735 0.00 0 358 D
|
||||
ATOM 7200 O O ? GLU Dxp 128 ? 44.959 2.499 40.390 -0.14 0 355 D
|
||||
ATOM 7230 O OD1 ? ASN Dxp 131 ? 43.485 0.069 43.521 0.00 0 358 D
|
||||
ATOM 7694 C CB ? ILE Dxp 191 ? 41.235 6.974 42.618 0.00 0 418 D
|
||||
ATOM 7235 O O ? PHE Dxp 132 ? 45.787 6.192 44.018 -1.07 0 359 D
|
||||
ATOM 7695 C CG1 ? ILE Dxp 191 ? 42.349 7.275 41.648 0.00 0 418 D
|
||||
ATOM 7226 C C ? ASN Dxp 131 ? 46.470 2.830 44.735 0.00 0 358 D
|
||||
ATOM 7227 O O ? ASN Dxp 131 ? 46.271 2.712 45.961 -3.21 0 358 D
|
||||
ATOM 7250 C CD1 ? ILE Dxp 133 ? 43.160 6.151 47.790 0.00 0 360 D
|
||||
ATOM 7248 C CG1 ? ILE Dxp 133 ? 43.620 7.064 46.639 0.00 0 360 D
|
||||
ATOM 7696 C CG2 ? ILE Dxp 191 ? 40.009 6.304 41.967 0.00 0 418 D
|
||||
ATOM 7690 N N ? ILE Dxp 191 ? 40.443 7.897 44.749 -1.09 0 418 D
|
||||
#
|
||||
|
||||
@@ -17,31 +17,31 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 7192 O O ? LEU Dxp 127 ? 47.270 4.579 41.569 0.00 0 354 D
|
||||
ATOM 7198 C CA ? GLU Dxp 128 ? 45.025 4.831 39.707 0.00 0 355 D
|
||||
ATOM 7199 C C ? GLU Dxp 128 ? 45.265 3.313 39.490 0.00 0 355 D
|
||||
ATOM 7200 O O ? GLU Dxp 128 ? 44.959 2.499 40.390 -0.14 0 355 D
|
||||
ATOM 7202 C CG ? GLU Dxp 128 ? 42.793 4.768 38.227 0.00 0 355 D
|
||||
ATOM 7224 N N ? ASN Dxp 131 ? 46.676 1.554 42.484 0.00 0 358 D
|
||||
ATOM 7225 C CA ? ASN Dxp 131 ? 45.924 1.800 43.735 0.00 0 358 D
|
||||
ATOM 7226 C C ? ASN Dxp 131 ? 46.470 2.830 44.735 0.00 0 358 D
|
||||
ATOM 7227 O O ? ASN Dxp 131 ? 46.271 2.712 45.961 -3.21 0 358 D
|
||||
ATOM 7228 C CB ? ASN Dxp 131 ? 45.610 0.478 44.452 0.00 0 358 D
|
||||
ATOM 7229 C CG ? ASN Dxp 131 ? 44.637 -0.341 43.682 0.00 0 358 D
|
||||
ATOM 7230 O OD1 ? ASN Dxp 131 ? 43.485 0.069 43.521 0.00 0 358 D
|
||||
ATOM 7232 N N ? PHE Dxp 132 ? 47.151 3.846 44.216 0.00 0 359 D
|
||||
ATOM 7233 C CA ? PHE Dxp 132 ? 47.566 4.945 45.074 0.00 0 359 D
|
||||
ATOM 7234 C C ? PHE Dxp 132 ? 46.549 6.075 44.982 0.00 0 359 D
|
||||
ATOM 7235 O O ? PHE Dxp 132 ? 45.787 6.192 44.018 -1.07 0 359 D
|
||||
ATOM 7248 C CG1 ? ILE Dxp 133 ? 43.620 7.064 46.639 0.00 0 360 D
|
||||
ATOM 7250 C CD1 ? ILE Dxp 133 ? 43.160 6.151 47.790 0.00 0 360 D
|
||||
ATOM 7685 C CA ? SER Dxp 190 ? 39.788 8.154 47.038 0.00 0 417 D
|
||||
ATOM 7686 C C ? SER Dxp 190 ? 40.269 8.759 45.751 0.00 0 417 D
|
||||
ATOM 7688 C CB ? SER Dxp 190 ? 38.406 7.544 46.831 0.00 0 417 D
|
||||
ATOM 7690 N N ? ILE Dxp 191 ? 40.443 7.897 44.749 -1.09 0 418 D
|
||||
ATOM 7691 C CA ? ILE Dxp 191 ? 40.875 8.243 43.412 0.00 0 418 D
|
||||
ATOM 7694 C CB ? ILE Dxp 191 ? 41.235 6.974 42.618 0.00 0 418 D
|
||||
ATOM 7695 C CG1 ? ILE Dxp 191 ? 42.349 7.275 41.648 0.00 0 418 D
|
||||
ATOM 7696 C CG2 ? ILE Dxp 191 ? 40.009 6.304 41.967 0.00 0 418 D
|
||||
ATOM 7697 C CD1 ? ILE Dxp 191 ? 41.814 7.446 40.267 0.00 0 418 D
|
||||
ATOM 7192 O O ? LEU Dxp 127 ? 47.270 4.579 41.569 0.00 0 354 D
|
||||
ATOM 7198 C CA ? GLU Dxp 128 ? 45.025 4.831 39.707 0.00 0 355 D
|
||||
ATOM 7199 C C ? GLU Dxp 128 ? 45.265 3.313 39.490 0.00 0 355 D
|
||||
ATOM 7200 O O ? GLU Dxp 128 ? 44.959 2.499 40.390 -0.14 0 355 D
|
||||
ATOM 7202 C CG ? GLU Dxp 128 ? 42.793 4.768 38.227 0.00 0 355 D
|
||||
ATOM 7224 N N ? ASN Dxp 131 ? 46.676 1.554 42.484 0.00 0 358 D
|
||||
ATOM 7225 C CA ? ASN Dxp 131 ? 45.924 1.800 43.735 0.00 0 358 D
|
||||
ATOM 7226 C C ? ASN Dxp 131 ? 46.470 2.830 44.735 0.00 0 358 D
|
||||
ATOM 7227 O O ? ASN Dxp 131 ? 46.271 2.712 45.961 -3.21 0 358 D
|
||||
ATOM 7228 C CB ? ASN Dxp 131 ? 45.610 0.478 44.452 0.00 0 358 D
|
||||
ATOM 7229 C CG ? ASN Dxp 131 ? 44.637 -0.341 43.682 0.00 0 358 D
|
||||
ATOM 7230 O OD1 ? ASN Dxp 131 ? 43.485 0.069 43.521 0.00 0 358 D
|
||||
ATOM 7232 N N ? PHE Dxp 132 ? 47.151 3.846 44.216 0.00 0 359 D
|
||||
ATOM 7233 C CA ? PHE Dxp 132 ? 47.566 4.945 45.074 0.00 0 359 D
|
||||
ATOM 7234 C C ? PHE Dxp 132 ? 46.549 6.075 44.982 0.00 0 359 D
|
||||
ATOM 7235 O O ? PHE Dxp 132 ? 45.787 6.192 44.018 -1.07 0 359 D
|
||||
ATOM 7248 C CG1 ? ILE Dxp 133 ? 43.620 7.064 46.639 0.00 0 360 D
|
||||
ATOM 7250 C CD1 ? ILE Dxp 133 ? 43.160 6.151 47.790 0.00 0 360 D
|
||||
ATOM 7685 C CA ? SER Dxp 190 ? 39.788 8.154 47.038 0.00 0 417 D
|
||||
ATOM 7686 C C ? SER Dxp 190 ? 40.269 8.759 45.751 0.00 0 417 D
|
||||
ATOM 7688 C CB ? SER Dxp 190 ? 38.406 7.544 46.831 0.00 0 417 D
|
||||
ATOM 7690 N N ? ILE Dxp 191 ? 40.443 7.897 44.749 -1.09 0 418 D
|
||||
ATOM 7691 C CA ? ILE Dxp 191 ? 40.875 8.243 43.412 0.00 0 418 D
|
||||
ATOM 7694 C CB ? ILE Dxp 191 ? 41.235 6.974 42.618 0.00 0 418 D
|
||||
ATOM 7695 C CG1 ? ILE Dxp 191 ? 42.349 7.275 41.648 0.00 0 418 D
|
||||
ATOM 7696 C CG2 ? ILE Dxp 191 ? 40.009 6.304 41.967 0.00 0 418 D
|
||||
ATOM 7697 C CD1 ? ILE Dxp 191 ? 41.814 7.446 40.267 0.00 0 418 D
|
||||
#
|
||||
|
||||
@@ -15,7 +15,7 @@ Information about the pocket 52:
|
||||
6 - Hydrophobicity Score : 11.6923
|
||||
7 - Polarity Score : 9
|
||||
8 - Amino Acid based volume Score : 4.5385
|
||||
9 - Pocket volume (Monte Carlo) : 373.6635
|
||||
9 - Pocket volume (Monte Carlo) : 373.5848
|
||||
10 -Pocket volume (convex hull) : 35.7078
|
||||
11 - Charge Score : 0
|
||||
12 - Local hydrophobic density Score : 8.0000
|
||||
@@ -39,25 +39,25 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 5231 C CB ? ARG Cxp 140 ? 51.995 47.931 16.151 0.00 0 367 C
|
||||
ATOM 5392 C CE ? MET Cxp 161 ? 52.846 46.104 11.575 0.00 0 388 C
|
||||
ATOM 4881 C CD2 ? LEU Cxp 97 ? 50.593 44.115 17.960 0.00 0 324 C
|
||||
ATOM 5391 S SD ? MET Cxp 161 ? 51.160 45.713 11.081 0.00 0 388 C
|
||||
ATOM 4920 N NH2 ? ARG Cxp 101 ? 48.245 40.967 18.717 -4.37 0 328 C
|
||||
ATOM 5505 C CH2 ? TRP Cxp 178 ? 44.938 46.925 15.557 0.00 0 405 C
|
||||
ATOM 5762 O OG ? SER Cxp 211 ? 44.690 40.816 16.932 -2.69 0 438 C
|
||||
ATOM 5503 C CZ2 ? TRP Cxp 178 ? 45.272 47.586 16.723 0.00 0 405 C
|
||||
ATOM 5758 C CA ? SER Cxp 211 ? 43.542 42.277 18.397 0.00 0 438 C
|
||||
ATOM 5398 O OG1 ? THR Cxp 165 ? 47.400 44.396 11.802 0.00 0 392 C
|
||||
ATOM 4919 N NH1 ? ARG Cxp 101 ? 50.350 40.227 18.081 0.00 0 328 C
|
||||
ATOM 4888 O OD1 ? ASP Cxp 98 ? 54.677 41.521 18.699 -1.21 0 325 C
|
||||
ATOM 4336 N NE2 ? GLN Cxp 25 ? 57.317 44.634 15.447 -3.70 0 252 C
|
||||
ATOM 4865 N ND2 ? ASN Cxp 95 ? 55.216 45.598 19.076 -2.19 0 322 C
|
||||
ATOM 5236 N NH1 ? ARG Cxp 140 ? 47.627 48.774 14.674 -1.09 0 367 C
|
||||
ATOM 5769 C CD ? PRO Cxp 212 ? 42.913 45.141 17.978 0.00 0 439 C
|
||||
ATOM 5711 O OE1 ? GLU Cxp 204 ? 47.381 47.181 19.730 -1.07 0 431 C
|
||||
ATOM 4880 C CD1 ? LEU Cxp 97 ? 49.761 44.248 20.276 0.00 0 324 C
|
||||
ATOM 5752 O O ? MET Cxp 210 ? 44.713 43.310 20.759 -2.14 0 437 C
|
||||
ATOM 5233 C CD ? ARG Cxp 140 ? 50.432 48.475 14.044 0.00 0 367 C
|
||||
ATOM 5399 C CG2 ? THR Cxp 165 ? 47.480 46.843 11.828 0.00 0 392 C
|
||||
ATOM 5231 C CB ? ARG Cxp 140 ? 51.995 47.931 16.151 0.00 0 367 C
|
||||
ATOM 5392 C CE ? MET Cxp 161 ? 52.846 46.104 11.575 0.00 0 388 C
|
||||
ATOM 4881 C CD2 ? LEU Cxp 97 ? 50.593 44.115 17.960 0.00 0 324 C
|
||||
ATOM 5391 S SD ? MET Cxp 161 ? 51.160 45.713 11.081 0.00 0 388 C
|
||||
ATOM 4920 N NH2 ? ARG Cxp 101 ? 48.245 40.967 18.717 -4.37 0 328 C
|
||||
ATOM 5505 C CH2 ? TRP Cxp 178 ? 44.938 46.925 15.557 0.00 0 405 C
|
||||
ATOM 5762 O OG ? SER Cxp 211 ? 44.690 40.816 16.932 -2.69 0 438 C
|
||||
ATOM 5503 C CZ2 ? TRP Cxp 178 ? 45.272 47.586 16.723 0.00 0 405 C
|
||||
ATOM 5758 C CA ? SER Cxp 211 ? 43.542 42.277 18.397 0.00 0 438 C
|
||||
ATOM 5398 O OG1 ? THR Cxp 165 ? 47.400 44.396 11.802 0.00 0 392 C
|
||||
ATOM 4919 N NH1 ? ARG Cxp 101 ? 50.350 40.227 18.081 0.00 0 328 C
|
||||
ATOM 4888 O OD1 ? ASP Cxp 98 ? 54.677 41.521 18.699 -1.21 0 325 C
|
||||
ATOM 4336 N NE2 ? GLN Cxp 25 ? 57.317 44.634 15.447 -3.70 0 252 C
|
||||
ATOM 4865 N ND2 ? ASN Cxp 95 ? 55.216 45.598 19.076 -2.19 0 322 C
|
||||
ATOM 5236 N NH1 ? ARG Cxp 140 ? 47.627 48.774 14.674 -1.09 0 367 C
|
||||
ATOM 5769 C CD ? PRO Cxp 212 ? 42.913 45.141 17.978 0.00 0 439 C
|
||||
ATOM 5711 O OE1 ? GLU Cxp 204 ? 47.381 47.181 19.730 -1.07 0 431 C
|
||||
ATOM 4880 C CD1 ? LEU Cxp 97 ? 49.761 44.248 20.276 0.00 0 324 C
|
||||
ATOM 5752 O O ? MET Cxp 210 ? 44.713 43.310 20.759 -2.14 0 437 C
|
||||
ATOM 5233 C CD ? ARG Cxp 140 ? 50.432 48.475 14.044 0.00 0 367 C
|
||||
ATOM 5399 C CG2 ? THR Cxp 165 ? 47.480 46.843 11.828 0.00 0 392 C
|
||||
#
|
||||
|
||||
@@ -17,48 +17,48 @@ _atom_site.occupancy
|
||||
_atom_site.pdbx_formal_charge
|
||||
_atom_site.auth_seq_id
|
||||
_atom_site.auth_asym_id
|
||||
ATOM 4333 C CG ? GLN Cxp 25 ? 57.937 44.506 13.117 0.00 0 252 C
|
||||
ATOM 4334 C CD ? GLN Cxp 25 ? 58.140 44.074 14.570 0.00 0 252 C
|
||||
ATOM 4336 N NE2 ? GLN Cxp 25 ? 57.317 44.634 15.447 -3.70 0 252 C
|
||||
ATOM 4863 C CG ? ASN Cxp 95 ? 56.450 45.916 18.682 0.00 0 322 C
|
||||
ATOM 4864 O OD1 ? ASN Cxp 95 ? 57.197 45.110 18.091 -1.07 0 322 C
|
||||
ATOM 4865 N ND2 ? ASN Cxp 95 ? 55.216 45.598 19.076 -2.19 0 322 C
|
||||
ATOM 4878 C CB ? LEU Cxp 97 ? 52.072 45.045 19.798 0.00 0 324 C
|
||||
ATOM 4879 C CG ? LEU Cxp 97 ? 50.969 44.044 19.437 0.00 0 324 C
|
||||
ATOM 4880 C CD1 ? LEU Cxp 97 ? 49.761 44.248 20.276 0.00 0 324 C
|
||||
ATOM 4881 C CD2 ? LEU Cxp 97 ? 50.593 44.115 17.960 0.00 0 324 C
|
||||
ATOM 4887 C CG ? ASP Cxp 98 ? 55.860 41.893 19.062 0.00 0 325 C
|
||||
ATOM 4888 O OD1 ? ASP Cxp 98 ? 54.677 41.521 18.699 -1.21 0 325 C
|
||||
ATOM 4889 O OD2 ? ASP Cxp 98 ? 56.786 42.248 18.314 -0.81 0 325 C
|
||||
ATOM 4918 C CZ ? ARG Cxp 101 ? 49.462 40.492 19.046 0.00 0 328 C
|
||||
ATOM 4919 N NH1 ? ARG Cxp 101 ? 50.350 40.227 18.081 0.00 0 328 C
|
||||
ATOM 4920 N NH2 ? ARG Cxp 101 ? 48.245 40.967 18.717 -4.37 0 328 C
|
||||
ATOM 5228 C CA ? ARG Cxp 140 ? 52.572 48.482 17.477 0.00 0 367 C
|
||||
ATOM 5231 C CB ? ARG Cxp 140 ? 51.995 47.931 16.151 0.00 0 367 C
|
||||
ATOM 5232 C CG ? ARG Cxp 140 ? 51.028 48.941 15.459 0.00 0 367 C
|
||||
ATOM 5233 C CD ? ARG Cxp 140 ? 50.432 48.475 14.044 0.00 0 367 C
|
||||
ATOM 5234 N NE ? ARG Cxp 140 ? 49.548 49.572 13.599 0.00 0 367 C
|
||||
ATOM 5235 C CZ ? ARG Cxp 140 ? 48.267 49.698 13.935 0.00 0 367 C
|
||||
ATOM 5236 N NH1 ? ARG Cxp 140 ? 47.627 48.774 14.674 -1.09 0 367 C
|
||||
ATOM 5390 C CG ? MET Cxp 161 ? 51.437 44.843 9.511 0.00 0 388 C
|
||||
ATOM 5391 S SD ? MET Cxp 161 ? 51.160 45.713 11.081 0.00 0 388 C
|
||||
ATOM 5392 C CE ? MET Cxp 161 ? 52.846 46.104 11.575 0.00 0 388 C
|
||||
ATOM 5397 C CB ? THR Cxp 165 ? 47.238 45.564 10.982 0.00 0 392 C
|
||||
ATOM 5398 O OG1 ? THR Cxp 165 ? 47.400 44.396 11.802 0.00 0 392 C
|
||||
ATOM 5399 C CG2 ? THR Cxp 165 ? 47.480 46.843 11.828 0.00 0 392 C
|
||||
ATOM 5503 C CZ2 ? TRP Cxp 178 ? 45.272 47.586 16.723 0.00 0 405 C
|
||||
ATOM 5504 C CZ3 ? TRP Cxp 178 ? 44.309 47.583 14.487 0.00 0 405 C
|
||||
ATOM 5505 C CH2 ? TRP Cxp 178 ? 44.938 46.925 15.557 0.00 0 405 C
|
||||
ATOM 5710 C CD ? GLU Cxp 204 ? 46.676 48.081 20.306 0.00 0 431 C
|
||||
ATOM 5711 O OE1 ? GLU Cxp 204 ? 47.381 47.181 19.730 -1.07 0 431 C
|
||||
ATOM 5748 O O ? GLY Cxp 209 ? 47.404 41.186 21.362 -1.48 0 436 C
|
||||
ATOM 5751 C C ? MET Cxp 210 ? 44.503 42.095 20.629 0.00 0 437 C
|
||||
ATOM 5752 O O ? MET Cxp 210 ? 44.713 43.310 20.759 -2.14 0 437 C
|
||||
ATOM 5757 N N ? SER Cxp 211 ? 44.156 41.534 19.480 -0.42 0 438 C
|
||||
ATOM 5758 C CA ? SER Cxp 211 ? 43.542 42.277 18.397 0.00 0 438 C
|
||||
ATOM 5759 C C ? SER Cxp 211 ? 42.199 42.862 18.815 0.00 0 438 C
|
||||
ATOM 5761 C CB ? SER Cxp 211 ? 43.393 41.351 17.194 0.00 0 438 C
|
||||
ATOM 5762 O OG ? SER Cxp 211 ? 44.690 40.816 16.932 -2.69 0 438 C
|
||||
ATOM 5763 N N ? PRO Cxp 212 ? 41.986 44.168 18.561 0.00 0 439 C
|
||||
ATOM 5769 C CD ? PRO Cxp 212 ? 42.913 45.141 17.978 0.00 0 439 C
|
||||
ATOM 4333 C CG ? GLN Cxp 25 ? 57.937 44.506 13.117 0.00 0 252 C
|
||||
ATOM 4334 C CD ? GLN Cxp 25 ? 58.140 44.074 14.570 0.00 0 252 C
|
||||
ATOM 4336 N NE2 ? GLN Cxp 25 ? 57.317 44.634 15.447 -3.70 0 252 C
|
||||
ATOM 4863 C CG ? ASN Cxp 95 ? 56.450 45.916 18.682 0.00 0 322 C
|
||||
ATOM 4864 O OD1 ? ASN Cxp 95 ? 57.197 45.110 18.091 -1.07 0 322 C
|
||||
ATOM 4865 N ND2 ? ASN Cxp 95 ? 55.216 45.598 19.076 -2.19 0 322 C
|
||||
ATOM 4878 C CB ? LEU Cxp 97 ? 52.072 45.045 19.798 0.00 0 324 C
|
||||
ATOM 4879 C CG ? LEU Cxp 97 ? 50.969 44.044 19.437 0.00 0 324 C
|
||||
ATOM 4880 C CD1 ? LEU Cxp 97 ? 49.761 44.248 20.276 0.00 0 324 C
|
||||
ATOM 4881 C CD2 ? LEU Cxp 97 ? 50.593 44.115 17.960 0.00 0 324 C
|
||||
ATOM 4887 C CG ? ASP Cxp 98 ? 55.860 41.893 19.062 0.00 0 325 C
|
||||
ATOM 4888 O OD1 ? ASP Cxp 98 ? 54.677 41.521 18.699 -1.21 0 325 C
|
||||
ATOM 4889 O OD2 ? ASP Cxp 98 ? 56.786 42.248 18.314 -0.81 0 325 C
|
||||
ATOM 4918 C CZ ? ARG Cxp 101 ? 49.462 40.492 19.046 0.00 0 328 C
|
||||
ATOM 4919 N NH1 ? ARG Cxp 101 ? 50.350 40.227 18.081 0.00 0 328 C
|
||||
ATOM 4920 N NH2 ? ARG Cxp 101 ? 48.245 40.967 18.717 -4.37 0 328 C
|
||||
ATOM 5228 C CA ? ARG Cxp 140 ? 52.572 48.482 17.477 0.00 0 367 C
|
||||
ATOM 5231 C CB ? ARG Cxp 140 ? 51.995 47.931 16.151 0.00 0 367 C
|
||||
ATOM 5232 C CG ? ARG Cxp 140 ? 51.028 48.941 15.459 0.00 0 367 C
|
||||
ATOM 5233 C CD ? ARG Cxp 140 ? 50.432 48.475 14.044 0.00 0 367 C
|
||||
ATOM 5234 N NE ? ARG Cxp 140 ? 49.548 49.572 13.599 0.00 0 367 C
|
||||
ATOM 5235 C CZ ? ARG Cxp 140 ? 48.267 49.698 13.935 0.00 0 367 C
|
||||
ATOM 5236 N NH1 ? ARG Cxp 140 ? 47.627 48.774 14.674 -1.09 0 367 C
|
||||
ATOM 5390 C CG ? MET Cxp 161 ? 51.437 44.843 9.511 0.00 0 388 C
|
||||
ATOM 5391 S SD ? MET Cxp 161 ? 51.160 45.713 11.081 0.00 0 388 C
|
||||
ATOM 5392 C CE ? MET Cxp 161 ? 52.846 46.104 11.575 0.00 0 388 C
|
||||
ATOM 5397 C CB ? THR Cxp 165 ? 47.238 45.564 10.982 0.00 0 392 C
|
||||
ATOM 5398 O OG1 ? THR Cxp 165 ? 47.400 44.396 11.802 0.00 0 392 C
|
||||
ATOM 5399 C CG2 ? THR Cxp 165 ? 47.480 46.843 11.828 0.00 0 392 C
|
||||
ATOM 5503 C CZ2 ? TRP Cxp 178 ? 45.272 47.586 16.723 0.00 0 405 C
|
||||
ATOM 5504 C CZ3 ? TRP Cxp 178 ? 44.309 47.583 14.487 0.00 0 405 C
|
||||
ATOM 5505 C CH2 ? TRP Cxp 178 ? 44.938 46.925 15.557 0.00 0 405 C
|
||||
ATOM 5710 C CD ? GLU Cxp 204 ? 46.676 48.081 20.306 0.00 0 431 C
|
||||
ATOM 5711 O OE1 ? GLU Cxp 204 ? 47.381 47.181 19.730 -1.07 0 431 C
|
||||
ATOM 5748 O O ? GLY Cxp 209 ? 47.404 41.186 21.362 -1.48 0 436 C
|
||||
ATOM 5751 C C ? MET Cxp 210 ? 44.503 42.095 20.629 0.00 0 437 C
|
||||
ATOM 5752 O O ? MET Cxp 210 ? 44.713 43.310 20.759 -2.14 0 437 C
|
||||
ATOM 5757 N N ? SER Cxp 211 ? 44.156 41.534 19.480 -0.42 0 438 C
|
||||
ATOM 5758 C CA ? SER Cxp 211 ? 43.542 42.277 18.397 0.00 0 438 C
|
||||
ATOM 5759 C C ? SER Cxp 211 ? 42.199 42.862 18.815 0.00 0 438 C
|
||||
ATOM 5761 C CB ? SER Cxp 211 ? 43.393 41.351 17.194 0.00 0 438 C
|
||||
ATOM 5762 O OG ? SER Cxp 211 ? 44.690 40.816 16.932 -2.69 0 438 C
|
||||
ATOM 5763 N N ? PRO Cxp 212 ? 41.986 44.168 18.561 0.00 0 439 C
|
||||
ATOM 5769 C CD ? PRO Cxp 212 ? 42.913 45.141 17.978 0.00 0 439 C
|
||||
#
|
||||
|
||||
Some files were not shown because too many files have changed in this diff Show More
Reference in New Issue
Block a user