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{
"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
}
]
}
}
] |