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AIDO.StructurePrediction

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  1. data/example.json +240 -0
data/example.json ADDED
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+ [
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+ {
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+ "name": "n_27",
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+ "sequences": [
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+ {
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+ "proteinChain": {
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+ "sequence": "ELQLVESGGGLVQPGGSLSLSCEVSGFSFDDVDNFIIAWFRQAPGKEREGVSFLRKYDMSTYYAESVKGRFTISSDNARDTVYLQMTNLKPEDTAVYYCALDREGFVFEQGMDFWGKGTQVTVSS",
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+ "count": 1,
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+ "msa": {
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+ "precomputed_msa_dir": "/msa_database//40/409022d50b8e11c68dcd105ef71cb22b",
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+ "non_pairing_msa_names": [
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+ "mmdb_envdb_hits.a3m",
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+ "mmdb_uniref30_hits.a3m"
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+ ],
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+ "pairing_db": "uniref100"
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+ }
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+ }
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+ }
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+ ]
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+ },
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+ {
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+ "name": "a_19",
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+ "sequences": [
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+ {
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+ "proteinChain": {
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+ "sequence": "EVQLQQSGAELVKPGASVKLSCTASGFNIKDTYVHWVKQRPEQGLEWIGRIDPANGYTKYDPKFQGKATITADTSSNTAYLQLSSLTSEDTAVYYCVRPLYDYYAMDYWGQGTSVTVSS",
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+ "count": 1,
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+ "msa": {
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+ "precomputed_msa_dir": "/msa_database//04/04f576349a6841c5148cb4f4bf2d61a0",
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+ "non_pairing_msa_names": [
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+ "mmdb_envdb_hits.a3m",
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+ "mmdb_uniref30_hits.a3m"
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+ ],
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+ "pairing_db": "uniref100"
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+ }
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+ }
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+ },
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+ {
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+ "proteinChain": {
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+ "sequence": "DILMTQSPSSMSVSLGDTVSITCHASQGISSNIGWLQQKPGKSFMGLIYYGTNLVDGVPSRFSGSGSGADYSLTISSLDSEDFADYYCVQYAQLPYTFGGGTKLEIK",
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+ "count": 1,
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+ "precomputed_msa_dir": "/msa_database//98/98c4c262485cdd7e54c866d5364a40ca",
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+ "non_pairing_msa_names": [
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+ "mmdb_envdb_hits.a3m",
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+ "mmdb_uniref30_hits.a3m"
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+ ],
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+ "pairing_db": "uniref100"
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+ }
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+ }
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+ }
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+ ]
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+ },
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+ {
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+ "name": "rl_1",
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+ "sequences": [
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+ {
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+ "rnaSequence": {
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+ "sequence": "UUGGGUUCCCUCACCCCAAUCAUAAAAAGG",
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+ "count": 1
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+ }
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+ },
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+ {
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+ "ligand": {
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+ "ligand": "CCD_PRF",
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+ "count": 1
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+ }
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+ }
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+ ]
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+ },
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+ {
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+ "name": "rna_1",
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+ "sequences": [
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+ {
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+ "rnaSequence": {
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+ "sequence": "GCCCGGAUAGCUCAGUCGGUAGAGCAGCGGCUAAAACAGCUCUGGGACCCCAGAGGCCCACGUGGCGGCUAGUACUCCGGUAUUGCGGUACCCUUGUACGCCUGUUUUAGCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCC",
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+ "count": 1
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+ }
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+ }
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+ ]
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+ },
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+ {
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+ "name": "pp_5",
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+ "sequences": [
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+ {
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+ "proteinChain": {
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+ "sequence": "KDFLPLYFGWFLTKKSSETLRKAGQVFLEELGNHKAFKKELRHFIEKLELVSYFGKRPPGVLHCTTKFCDYGKAAGAEEYAQQEVVKRSYGKAFKLSISALFVTPKTAGAQVVLTDQELQLWPSSASEGLPPGSRAHVTLGCAADVQPVQTGLDLLDILQQVKGGSQGEAVGELPRGKLYSLGKGRWMLSLTKKMEVKAIFTGYYG",
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+ "mmdb_envdb_hits.a3m",
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+ "mmdb_uniref30_hits.a3m"
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+ ],
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+ "pairing_db": "uniref100"
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+ }
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+ }
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+ },
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+ {
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+ "proteinChain": {
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+ "sequence": "VQLEESGGGLVQPGGSLRLSCAASGFTFSSYVMSWVRQAPGKGLEWVSDINSGGSRTYYTDSVKGRFTISRDNAKNTLYLQMNSLKPEDTAVYYCARDSLLSTRYLHTSERGQGTQVTVSS",
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+ "non_pairing_msa_names": [
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+ ],
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+ "pairing_db": "uniref100"
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+ }
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+ }
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+ }
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+ ]
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+ },
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+ {
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+ "name": "pl_2",
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+ "sequences": [
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+ {
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+ "proteinChain": {
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+ "sequence": "STGSATTTPIDSLDDAYITPVQIGTPAQTLNLDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYGDGSSSSGDVYTDTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKASLDSPVFTADLGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKSTSIDGIADTGTTLLYLPATVVSAYWAQVSGAKSSSSVGGYVFPCSATLPSFTFGVGSARIVIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGATTPTLGFASK",
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+ ],
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+ "pairing_db": "uniref100"
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+ }
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+ }
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+ },
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+ {
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+ "ligand": {
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+ "ligand": "CCD_ZRY",
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+ "count": 1
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+ }
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+ }
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+ ]
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+ },
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+ {
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+ "name": "gpm_47",
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+ "sequences": [
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+ {
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+ "proteinChain": {
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+ "sequence": "KLRNVMYYGDWSIWGGQGNFYPKDIPADKLTHLNFAFMDFNSSGELIYCDKDAAIGHPLGNLGVTYGDVNGGILNAFQVLKSENPNLKIGVSLGGWSKSGDFSTIAATPSIRAKFVENVMKFIKYTNMDFVDIDWEYPGDYREPDKTDNINDEGTPNASAGDKENYILLLQDLKEALNKQGKELGKVYELSVALPAGVSKIEKGIDVDKLFNIVDFANIMTYDMAGAWSTTSGHQTALYTNPNAPEEYKGLSVDESVKYYISQGAEREKIVVGAAYYTRGWEQVSDKGTDPNNPGLFGEAAVVNKDADLSPTPGALNEAPMKNGEGGRAGGVWGYNALDKLKSKYTGLKEYWDDSAKAPYLYNSETGAFFTYDNIRSIQEKAKYVKENNLGGIIGWMASQDATTNSTKRDELTTATKESLFGKEDLPKYEIKYTENDITCTVTPVKQSWGSGGVLKMSITNNEKLDESGEVLSTVETSAKTVKNMKVYIKTDGIAITGSQYPAGPVTKEGDYYVIDFGKISDGKLMKAGITFTFDLNLDKAIEDTNNIISIEVSQRMYQTSPEFNRQTIWENT",
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+ "mmdb_envdb_hits.a3m",
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+ ],
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+ "pairing_db": "uniref100"
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+ }
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+ ]
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+ },
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+ "name": "na_8",
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+ "sequences": [
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+ {
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+ "proteinChain": {
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+ "sequence": "QMQLVESGGGLVQAGGSLRLSCAVSGSIFSIITLAWYRQAPGKPRENVATITRGSRTSYADSVKGRFTISKDNAKSTVYLQMNKLKPEDTADYYCNAEGPAGYWGQGTPVTVS",
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+ ],
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+ "pairing_db": "uniref100"
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+ }
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+ }
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+ },
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+ {
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+ "proteinChain": {
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+ "sequence": "SGDVEFRNVTFTYPGRDVPALRNINLKIPAGKTVALVGRSGSGKSTIASLITRFYDIDEGEILMDGHDLREYTLASLRNQVALVSQNVHLFNDTVANNIAYARTEQYSREQIEEAARMAYAMDFINKMDNGLDTVIGENGVLLSGGQRQRIAIARALLRDSPILILDEATSALDTESERAIQAALDELQKNRTSLVIAHRLSTIEKADEIVVVEDGVIVERGTHNDLLEHRGVYAQLHKMQFGQA",
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+ "mmdb_uniref30_hits.a3m"
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+ }
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+ }
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+ }
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+ ]
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+ },
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+ {
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+ "name": "aa_32",
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+ "sequences": [
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+ {
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+ "proteinChain": {
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+ "sequence": "EVQLVESGGGLVQPGGSLRLSCAASGFTFSTYSMNWVRQAPGKGLEWVSYISYRSRTIYYADSVKGRFTISRDNARNSLYLQMNSLRDEDTAVYYCARWGYGSGGFDYWGQGTLVTVSS",
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+ }
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+ {
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+ "proteinChain": {
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+ "sequence": "EIVLTQSPGTLSLSPGERATLSCRASQSVSSSYLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGSSFTFGPGTKVDIK",
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+ ],
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+ "pairing_db": "uniref100"
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+ }
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+ }
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+ },
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+ {
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+ "proteinChain": {
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+ "sequence": "GSTVPPMVNVTRSEASEGNITVTCRASSFYPRNIILTWRQDGVSLSHDTQQWGDVLPDGNGTYQTWVATRICRGEEQRFTCYMEHSGNHSTHPVPSGHHHHHH",
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+ "count": 1,
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+ "non_pairing_msa_names": [
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+ ],
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+ }
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+ ]
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+ }
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+
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+ ]