| [ | |
| { | |
| "sequences": [ | |
| { | |
| "proteinChain": { | |
| "sequence": "YMLDLQPETTDLYCGGGGSGGGGSGGGGSIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDMGGGGSGGGGSGGGGSGGGGSGSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDGETRKVKAHSQTHRVDLGTLRGCYNQSEAGSHTVQRMYGCDVGSDWRFLRGYHQYAYDGKDYIALKEDLRSWTAADMCAQTTKHKWEAAHVAEQLRAYLEGTCVEWLRRYLENGKETLQRTDAPKTHMTHHAVSDHEATLRCWALSFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGQEQRYTCHVQHEGLPKPLTLRWEHHHHHH", | |
| "count": 1, | |
| "msa": { | |
| "precomputed_msa_dir": "./examples/7st3/msa/1/", | |
| "pairing_db": "uniref100" | |
| } | |
| } | |
| }, | |
| { | |
| "proteinChain": { | |
| "sequence": "EVKLVESGGGLVQPGGSLRLSCAASGSIFSINTMGWYRQTPGKQRDLVADISSGGSTKYGDSVKGRFTISRDNTKNTVYLQMNSLKPEDTAVYYCYGLSYSNDDYWGQGTQVTVSS", | |
| "count": 1, | |
| "msa": { | |
| "precomputed_msa_dir": "./examples/7st3/msa/2/", | |
| "pairing_db": "uniref100" | |
| } | |
| } | |
| } | |
| ], | |
| "modelSeeds": [], | |
| "name": "7st3_base" | |
| }, | |
| { | |
| "sequences": [ | |
| { | |
| "proteinChain": { | |
| "sequence": "YMLDLQPETTDLYCGGGGSGGGGSGGGGSIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDMGGGGSGGGGSGGGGSGGGGSGSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDGETRKVKAHSQTHRVDLGTLRGCYNQSEAGSHTVQRMYGCDVGSDWRFLRGYHQYAYDGKDYIALKEDLRSWTAADMCAQTTKHKWEAAHVAEQLRAYLEGTCVEWLRRYLENGKETLQRTDAPKTHMTHHAVSDHEATLRCWALSFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGQEQRYTCHVQHEGLPKPLTLRWEHHHHHH", | |
| "count": 1, | |
| "msa": { | |
| "precomputed_msa_dir": "./examples/7st3/msa/1/", | |
| "pairing_db": "uniref100" | |
| } | |
| } | |
| }, | |
| { | |
| "proteinChain": { | |
| "sequence": "EVKLVESGGGLVQPGGSLRLSCAASGSIFSINTMGWYRQTPGKQRDLVADISSGGSTKYGDSVKGRFTISRDNTKNTVYLQMNSLKPEDTAVYYCYGLSYSNDDYWGQGTQVTVSS", | |
| "count": 1, | |
| "msa": { | |
| "precomputed_msa_dir": "./examples/7st3/msa/2/", | |
| "pairing_db": "uniref100" | |
| } | |
| } | |
| } | |
| ], | |
| "modelSeeds": [], | |
| "name": "7st3_pocket_1_8", | |
| "constraint": { | |
| "pocket": { | |
| "binder_chain": [ | |
| "2", | |
| 1 | |
| ], | |
| "contact_residues": [ | |
| [ | |
| "1", | |
| 1, | |
| 69 | |
| ] | |
| ], | |
| "max_distance": 8 | |
| } | |
| } | |
| }, | |
| { | |
| "sequences": [ | |
| { | |
| "proteinChain": { | |
| "sequence": "YMLDLQPETTDLYCGGGGSGGGGSGGGGSIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDMGGGGSGGGGSGGGGSGGGGSGSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDGETRKVKAHSQTHRVDLGTLRGCYNQSEAGSHTVQRMYGCDVGSDWRFLRGYHQYAYDGKDYIALKEDLRSWTAADMCAQTTKHKWEAAHVAEQLRAYLEGTCVEWLRRYLENGKETLQRTDAPKTHMTHHAVSDHEATLRCWALSFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGQEQRYTCHVQHEGLPKPLTLRWEHHHHHH", | |
| "count": 1, | |
| "msa": { | |
| "precomputed_msa_dir": "./examples/7st3/msa/1/", | |
| "pairing_db": "uniref100" | |
| } | |
| } | |
| }, | |
| { | |
| "proteinChain": { | |
| "sequence": "EVKLVESGGGLVQPGGSLRLSCAASGSIFSINTMGWYRQTPGKQRDLVADISSGGSTKYGDSVKGRFTISRDNTKNTVYLQMNSLKPEDTAVYYCYGLSYSNDDYWGQGTQVTVSS", | |
| "count": 1, | |
| "msa": { | |
| "precomputed_msa_dir": "./examples/7st3/msa/2/", | |
| "pairing_db": "uniref100" | |
| } | |
| } | |
| } | |
| ], | |
| "modelSeeds": [], | |
| "name": "7st3_token_1_15", | |
| "constraint": { | |
| "contact": [ | |
| { | |
| "residue1": [ | |
| "1", | |
| 1, | |
| 72 | |
| ], | |
| "residue2": [ | |
| "2", | |
| 1, | |
| 103 | |
| ], | |
| "max_distance": 15 | |
| } | |
| ] | |
| } | |
| }, | |
| { | |
| "sequences": [ | |
| { | |
| "proteinChain": { | |
| "sequence": "MSSPLKNALVTAMLAGGALSSPTKQHVGIPVNASPEVGPGKYSFKQVRNPNYKFNGPLSVKKTYLKYGVPIPAWLEDAVQNSTSGLAERSTGSATTTPIDSLDDAYITPVQIGTPAQTLNLDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYGDGSSSSGDVYTDTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKASLDSPVFTADLGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKSTSIDGIADTGTTLLYLPATVVSAYWAQVSGAKSSSSVGGYVFPCSATLPSFTFGVGSARIVIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGATTPTLGFASK", | |
| "count": 1, | |
| "msa": { | |
| "precomputed_msa_dir": "./examples/5sak/1/", | |
| "pairing_db": "uniref100" | |
| } | |
| } | |
| }, | |
| { | |
| "ligand": {"ligand": "CCD_ZRY", "count": 1} | |
| } | |
| ], | |
| "modelSeeds": [], | |
| "name": "5sak_base" | |
| }, | |
| { | |
| "sequences": [ | |
| { | |
| "proteinChain": { | |
| "sequence": "MSSPLKNALVTAMLAGGALSSPTKQHVGIPVNASPEVGPGKYSFKQVRNPNYKFNGPLSVKKTYLKYGVPIPAWLEDAVQNSTSGLAERSTGSATTTPIDSLDDAYITPVQIGTPAQTLNLDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYGDGSSSSGDVYTDTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKASLDSPVFTADLGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKSTSIDGIADTGTTLLYLPATVVSAYWAQVSGAKSSSSVGGYVFPCSATLPSFTFGVGSARIVIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGATTPTLGFASK", | |
| "count": 1, | |
| "msa": { | |
| "precomputed_msa_dir": "./examples/5sak/1/", | |
| "pairing_db": "uniref100" | |
| } | |
| } | |
| }, | |
| { | |
| "ligand": {"ligand": "CCD_ZRY", "count": 1} | |
| } | |
| ], | |
| "modelSeeds": [], | |
| "name": "5sak_atom_1_3_5", | |
| "constraint": { | |
| "contact": [ | |
| { | |
| "atom1": ["1", 1, 311, "CG2"], | |
| "atom2": ["2", 1, 1, "C10"], | |
| "max_distance": 5, | |
| "min_distance": 3 | |
| } | |
| ] | |
| } | |
| } | |
| ] |