[ { "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 } ] } } ]