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25 lines
866 B
YAML
25 lines
866 B
YAML
entities:
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# Specify a designed protein chain
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# random number between 12 and 20 of designed residues (inclusive)
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- protein:
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id: G
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sequence: 12..20
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# Specification of the target which is extracted from a .cif file
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- file:
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path: 5cqg.cif
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# Which chain and residues in the .cif file to use as target (uses only chain A here)
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include:
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- chain:
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id: A
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# Which regions of the target the design should or should NOT bind to
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# Here we specify that the design should bind to residues 343, 344, and 251 on chain A
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binding_types:
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- chain:
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id: A
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binding: 343,344,251
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# Which regions of the target should have their structure specified
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# Here we specify that all included target residues should have their structure specified
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structure_groups: "all"
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