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Add some dummy files containing all residues and a corresponding "folded" structure

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Kevin Wu
2023-03-06 11:50:58 -08:00
parent 43a6b7a367
commit 592e4ec32a
2 changed files with 171 additions and 0 deletions
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2
data/all_residues.fa Normal file
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>foobar
RHKDESTNQCGPAVILMFYW

169
data/all_residues.pdb Normal file
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ATOM 1 N ARG A 0 7.458 0.844 -6.711 1.00 44.21 N
ATOM 2 CA ARG A 0 6.803 1.887 -5.928 1.00 44.21 C
ATOM 3 C ARG A 0 6.247 1.324 -4.624 1.00 44.21 C
ATOM 4 O ARG A 0 5.298 0.537 -4.637 1.00 44.21 O
ATOM 5 CB ARG A 0 5.682 2.543 -6.736 1.00 44.21 C
ATOM 6 CG ARG A 0 6.176 3.412 -7.882 1.00 44.21 C
ATOM 7 CD ARG A 0 5.029 4.128 -8.581 1.00 44.21 C
ATOM 8 NE ARG A 0 5.123 4.008 -10.033 1.00 44.21 N
ATOM 9 CZ ARG A 0 4.270 4.552 -10.896 1.00 44.21 C
ATOM 10 NH1 ARG A 0 3.237 5.268 -10.468 1.00 44.21 N
ATOM 11 NH2 ARG A 0 4.450 4.379 -12.197 1.00 44.21 N
ATOM 12 N HIS A 1 7.100 0.435 -4.005 1.00 45.04 N
ATOM 13 CA HIS A 1 7.254 0.088 -2.596 1.00 45.04 C
ATOM 14 C HIS A 1 5.920 0.161 -1.861 1.00 45.04 C
ATOM 15 O HIS A 1 5.280 1.215 -1.832 1.00 45.04 O
ATOM 16 CB HIS A 1 8.275 1.010 -1.926 1.00 45.04 C
ATOM 17 CG HIS A 1 9.474 0.292 -1.394 1.00 45.04 C
ATOM 18 ND1 HIS A 1 10.399 0.897 -0.572 1.00 45.04 N
ATOM 19 CD2 HIS A 1 9.895 -0.983 -1.566 1.00 45.04 C
ATOM 20 CE1 HIS A 1 11.342 0.023 -0.261 1.00 45.04 C
ATOM 21 NE2 HIS A 1 11.059 -1.126 -0.852 1.00 45.04 N
ATOM 22 N LYS A 2 5.023 -0.738 -2.242 1.00 49.22 N
ATOM 23 CA LYS A 2 3.907 -1.286 -1.476 1.00 49.22 C
ATOM 24 C LYS A 2 3.791 -0.611 -0.112 1.00 49.22 C
ATOM 25 O LYS A 2 4.488 -0.987 0.833 1.00 49.22 O
ATOM 26 CB LYS A 2 4.066 -2.797 -1.302 1.00 49.22 C
ATOM 27 CG LYS A 2 3.010 -3.619 -2.026 1.00 49.22 C
ATOM 28 CD LYS A 2 3.334 -5.107 -1.984 1.00 49.22 C
ATOM 29 CE LYS A 2 2.132 -5.953 -2.379 1.00 49.22 C
ATOM 30 NZ LYS A 2 2.499 -7.012 -3.366 1.00 49.22 N
ATOM 31 N ASP A 3 3.885 0.735 -0.185 1.00 49.73 N
ATOM 32 CA ASP A 3 3.594 1.486 1.033 1.00 49.73 C
ATOM 33 C ASP A 3 2.353 0.937 1.733 1.00 49.73 C
ATOM 34 O ASP A 3 1.232 1.365 1.448 1.00 49.73 O
ATOM 35 CB ASP A 3 3.404 2.971 0.715 1.00 49.73 C
ATOM 36 CG ASP A 3 4.718 3.711 0.536 1.00 49.73 C
ATOM 37 OD1 ASP A 3 5.464 3.877 1.525 1.00 49.73 O
ATOM 38 OD2 ASP A 3 5.009 4.135 -0.604 1.00 49.73 O
ATOM 39 N GLU A 4 2.250 -0.442 1.764 1.00 52.21 N
ATOM 40 CA GLU A 4 1.193 -1.171 2.459 1.00 52.21 C
ATOM 41 C GLU A 4 1.364 -1.082 3.973 1.00 52.21 C
ATOM 42 O GLU A 4 0.883 -1.946 4.709 1.00 52.21 O
ATOM 43 CB GLU A 4 1.170 -2.636 2.017 1.00 52.21 C
ATOM 44 CG GLU A 4 0.413 -2.875 0.719 1.00 52.21 C
ATOM 45 CD GLU A 4 0.625 -4.268 0.148 1.00 52.21 C
ATOM 46 OE1 GLU A 4 -0.370 -5.000 -0.053 1.00 52.21 O
ATOM 47 OE2 GLU A 4 1.797 -4.630 -0.100 1.00 52.21 O
ATOM 48 N SER A 5 2.392 -0.340 4.393 1.00 51.03 N
ATOM 49 CA SER A 5 2.405 -0.231 5.849 1.00 51.03 C
ATOM 50 C SER A 5 1.556 0.944 6.323 1.00 51.03 C
ATOM 51 O SER A 5 1.777 1.476 7.413 1.00 51.03 O
ATOM 52 CB SER A 5 3.837 -0.077 6.362 1.00 51.03 C
ATOM 53 OG SER A 5 4.347 1.208 6.051 1.00 51.03 O
ATOM 54 N THR A 6 0.874 1.654 5.420 1.00 53.10 N
ATOM 55 CA THR A 6 -0.099 2.643 5.871 1.00 53.10 C
ATOM 56 C THR A 6 -1.033 2.045 6.919 1.00 53.10 C
ATOM 57 O THR A 6 -1.796 1.122 6.624 1.00 53.10 O
ATOM 58 CB THR A 6 -0.927 3.189 4.693 1.00 53.10 C
ATOM 59 OG1 THR A 6 -0.054 3.468 3.591 1.00 53.10 O
ATOM 60 CG2 THR A 6 -1.660 4.468 5.082 1.00 53.10 C
ATOM 61 N ASN A 7 -0.618 1.400 7.955 1.00 51.53 N
ATOM 62 CA ASN A 7 -1.176 1.475 9.301 1.00 51.53 C
ATOM 63 C ASN A 7 -2.692 1.302 9.289 1.00 51.53 C
ATOM 64 O ASN A 7 -3.388 1.936 8.494 1.00 51.53 O
ATOM 65 CB ASN A 7 -0.798 2.800 9.966 1.00 51.53 C
ATOM 66 CG ASN A 7 0.642 2.825 10.440 1.00 51.53 C
ATOM 67 OD1 ASN A 7 1.165 1.820 10.929 1.00 51.53 O
ATOM 68 ND2 ASN A 7 1.293 3.974 10.299 1.00 51.53 N
ATOM 69 N GLN A 8 -3.099 0.084 8.944 1.00 55.06 N
ATOM 70 CA GLN A 8 -4.375 -0.527 9.302 1.00 55.06 C
ATOM 71 C GLN A 8 -5.212 0.413 10.165 1.00 55.06 C
ATOM 72 O GLN A 8 -5.707 0.018 11.222 1.00 55.06 O
ATOM 73 CB GLN A 8 -4.150 -1.851 10.034 1.00 55.06 C
ATOM 74 CG GLN A 8 -3.894 -3.031 9.106 1.00 55.06 C
ATOM 75 CD GLN A 8 -3.381 -4.255 9.841 1.00 55.06 C
ATOM 76 OE1 GLN A 8 -3.040 -4.186 11.027 1.00 55.06 O
ATOM 77 NE2 GLN A 8 -3.320 -5.383 9.143 1.00 55.06 N
ATOM 78 N CYS A 9 -4.644 1.527 10.480 1.00 55.71 N
ATOM 79 CA CYS A 9 -5.705 2.374 11.014 1.00 55.71 C
ATOM 80 C CYS A 9 -6.810 2.577 9.984 1.00 55.71 C
ATOM 81 O CYS A 9 -6.534 2.891 8.825 1.00 55.71 O
ATOM 82 CB CYS A 9 -5.143 3.728 11.447 1.00 55.71 C
ATOM 83 SG CYS A 9 -6.331 4.758 12.336 1.00 55.71 S
ATOM 84 N GLY A 10 -7.271 1.478 9.465 1.00 58.15 N
ATOM 85 CA GLY A 10 -8.479 1.528 8.657 1.00 58.15 C
ATOM 86 C GLY A 10 -9.019 2.935 8.478 1.00 58.15 C
ATOM 87 O GLY A 10 -8.513 3.881 9.084 1.00 58.15 O
ATOM 88 N PRO A 11 -9.375 3.229 7.305 1.00 61.21 N
ATOM 89 CA PRO A 11 -9.978 4.528 6.998 1.00 61.21 C
ATOM 90 C PRO A 11 -10.839 5.064 8.139 1.00 61.21 C
ATOM 91 O PRO A 11 -11.005 6.279 8.275 1.00 61.21 O
ATOM 92 CB PRO A 11 -10.830 4.238 5.760 1.00 61.21 C
ATOM 93 CG PRO A 11 -10.649 2.776 5.506 1.00 61.21 C
ATOM 94 CD PRO A 11 -9.731 2.219 6.556 1.00 61.21 C
ATOM 95 N ALA A 12 -11.293 4.220 8.986 1.00 61.37 N
ATOM 96 CA ALA A 12 -12.207 4.650 10.041 1.00 61.37 C
ATOM 97 C ALA A 12 -11.469 5.446 11.115 1.00 61.37 C
ATOM 98 O ALA A 12 -11.988 6.442 11.624 1.00 61.37 O
ATOM 99 CB ALA A 12 -12.907 3.444 10.664 1.00 61.37 C
ATOM 100 N VAL A 13 -10.311 4.982 11.464 1.00 60.44 N
ATOM 101 CA VAL A 13 -9.553 5.652 12.516 1.00 60.44 C
ATOM 102 C VAL A 13 -9.078 7.017 12.021 1.00 60.44 C
ATOM 103 O VAL A 13 -9.070 7.990 12.778 1.00 60.44 O
ATOM 104 CB VAL A 13 -8.347 4.803 12.976 1.00 60.44 C
ATOM 105 CG1 VAL A 13 -7.552 5.534 14.055 1.00 60.44 C
ATOM 106 CG2 VAL A 13 -8.818 3.441 13.484 1.00 60.44 C
ATOM 107 N ILE A 14 -8.727 7.057 10.748 1.00 61.91 N
ATOM 108 CA ILE A 14 -8.281 8.327 10.187 1.00 61.91 C
ATOM 109 C ILE A 14 -9.412 9.350 10.263 1.00 61.91 C
ATOM 110 O ILE A 14 -9.183 10.514 10.599 1.00 61.91 O
ATOM 111 CB ILE A 14 -7.804 8.163 8.727 1.00 61.91 C
ATOM 112 CG1 ILE A 14 -6.553 7.278 8.670 1.00 61.91 C
ATOM 113 CG2 ILE A 14 -7.538 9.530 8.089 1.00 61.91 C
ATOM 114 CD1 ILE A 14 -6.189 6.812 7.267 1.00 61.91 C
ATOM 115 N LEU A 15 -10.608 8.897 9.913 1.00 60.35 N
ATOM 116 CA LEU A 15 -11.765 9.785 9.919 1.00 60.35 C
ATOM 117 C LEU A 15 -12.046 10.304 11.325 1.00 60.35 C
ATOM 118 O LEU A 15 -12.460 11.453 11.496 1.00 60.35 O
ATOM 119 CB LEU A 15 -12.999 9.062 9.373 1.00 60.35 C
ATOM 120 CG LEU A 15 -13.004 8.767 7.872 1.00 60.35 C
ATOM 121 CD1 LEU A 15 -14.116 7.782 7.529 1.00 60.35 C
ATOM 122 CD2 LEU A 15 -13.162 10.057 7.075 1.00 60.35 C
ATOM 123 N MET A 16 -11.668 9.575 12.282 1.00 60.96 N
ATOM 124 CA MET A 16 -11.975 9.962 13.656 1.00 60.96 C
ATOM 125 C MET A 16 -11.019 11.045 14.143 1.00 60.96 C
ATOM 126 O MET A 16 -11.413 11.930 14.905 1.00 60.96 O
ATOM 127 CB MET A 16 -11.908 8.748 14.585 1.00 60.96 C
ATOM 128 CG MET A 16 -13.125 7.842 14.500 1.00 60.96 C
ATOM 129 SD MET A 16 -13.258 6.706 15.934 1.00 60.96 S
ATOM 130 CE MET A 16 -14.615 5.640 15.373 1.00 60.96 C
ATOM 131 N PHE A 17 -9.801 11.066 13.593 1.00 59.63 N
ATOM 132 CA PHE A 17 -8.859 12.055 14.104 1.00 59.63 C
ATOM 133 C PHE A 17 -9.000 13.375 13.355 1.00 59.63 C
ATOM 134 O PHE A 17 -8.672 14.436 13.889 1.00 59.63 O
ATOM 135 CB PHE A 17 -7.422 11.538 13.992 1.00 59.63 C
ATOM 136 CG PHE A 17 -7.084 10.461 14.987 1.00 59.63 C
ATOM 137 CD1 PHE A 17 -6.810 10.780 16.311 1.00 59.63 C
ATOM 138 CD2 PHE A 17 -7.041 9.129 14.598 1.00 59.63 C
ATOM 139 CE1 PHE A 17 -6.497 9.785 17.235 1.00 59.63 C
ATOM 140 CE2 PHE A 17 -6.729 8.129 15.515 1.00 59.63 C
ATOM 141 CZ PHE A 17 -6.457 8.459 16.832 1.00 59.63 C
ATOM 142 N TYR A 18 -9.312 13.197 12.060 1.00 61.96 N
ATOM 143 CA TYR A 18 -9.442 14.459 11.342 1.00 61.96 C
ATOM 144 C TYR A 18 -10.789 15.113 11.627 1.00 61.96 C
ATOM 145 O TYR A 18 -10.916 16.338 11.573 1.00 61.96 O
ATOM 146 CB TYR A 18 -9.277 14.240 9.835 1.00 61.96 C
ATOM 147 CG TYR A 18 -7.839 14.248 9.374 1.00 61.96 C
ATOM 148 CD1 TYR A 18 -7.195 15.442 9.058 1.00 61.96 C
ATOM 149 CD2 TYR A 18 -7.123 13.062 9.253 1.00 61.96 C
ATOM 150 CE1 TYR A 18 -5.871 15.454 8.632 1.00 61.96 C
ATOM 151 CE2 TYR A 18 -5.799 13.062 8.828 1.00 61.96 C
ATOM 152 CZ TYR A 18 -5.182 14.261 8.520 1.00 61.96 C
ATOM 153 OH TYR A 18 -3.872 14.267 8.098 1.00 61.96 O
ATOM 154 N TRP A 19 -11.717 14.211 12.004 1.00 60.80 N
ATOM 155 CA TRP A 19 -12.955 14.894 12.366 1.00 60.80 C
ATOM 156 C TRP A 19 -12.856 15.497 13.763 1.00 60.80 C
ATOM 157 O TRP A 19 -13.341 16.605 14.003 1.00 60.80 O
ATOM 158 CB TRP A 19 -14.142 13.930 12.295 1.00 60.80 C
ATOM 159 CG TRP A 19 -14.480 13.480 10.906 1.00 60.80 C
ATOM 160 CD1 TRP A 19 -13.827 12.536 10.164 1.00 60.80 C
ATOM 161 CD2 TRP A 19 -15.552 13.961 10.090 1.00 60.80 C
ATOM 162 NE1 TRP A 19 -14.429 12.400 8.934 1.00 60.80 N
ATOM 163 CE2 TRP A 19 -15.490 13.262 8.863 1.00 60.80 C
ATOM 164 CE3 TRP A 19 -16.562 14.915 10.277 1.00 60.80 C
ATOM 165 CZ2 TRP A 19 -16.400 13.489 7.828 1.00 60.80 C
ATOM 166 CZ3 TRP A 19 -17.466 15.138 9.245 1.00 60.80 C
ATOM 167 CH2 TRP A 19 -17.377 14.427 8.037 1.00 60.80 C
TER 168 TRP A 19
END