system_id stringlengths 17 57 | split stringclasses 1
value | entry_pdb_id stringlengths 4 4 | entry_determination_method stringclasses 8
values | entry_resolution float32 0.64 37 ⌀ | is_experimental bool 1
class | protein_sequence stringlengths 2 5.16k | protein_chain_id stringclasses 455
values | protein_instance_chain stringlengths 3 5 | ligand_smiles stringlengths 2 604 | ligand_ccd_code stringlengths 1 135 | ligand_instance_chain stringlengths 3 5 | ligand_is_proper bool 2
classes | ligand_is_covalent bool 2
classes | ligand_molecular_weight float32 7.02 3.45k | system_pass_validation_criteria bool 2
classes | system_num_protein_chains int32 1 5 | system_num_ligand_chains int32 1 5 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1n4p__3__1.E_1.F__1.X | train | 1n4p | X-RAY DIFFRACTION | 2.65 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | F | 1.F | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO[P@](=O)(O)OP(=O)(O)O | GRG | 1.X | true | false | 450.193634 | true | 2 | 1 |
1n4r__1__1.A_1.B_1.M__1.M_1.RA_1.S_1.T_1.U | train | 1n4r | X-RAY DIFFRACTION | 2.8 | true | MAATEGVGESAPGGEPGQPEQPPPPPPPPPAQQPQEEEMAAEAGEAAASPMDDGFLSLDSPTYVLYRDRAEWADIDPVPQNDGPSPVVQIIYSEKFRDVYDYFRAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLRSLQKDLQEEMNYIIAIIEEQPKNYQVWHHRRVLVEWLKDPSQELEFIADILNQDAKNYHAWQHRQWVIQEFRLWDNELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSRYPNLLNQLLDLQPSHSSPYLIAFLVDIYE... | A | 1.A | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | THR-LYS-CYS-VAL-ILE-LEU | 1.M | true | true | 675.398926 | true | 3 | 5 |
1n4r__1__1.A_1.B_1.M__1.M_1.RA_1.S_1.T_1.U | train | 1n4r | X-RAY DIFFRACTION | 2.8 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | B | 1.B | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | THR-LYS-CYS-VAL-ILE-LEU | 1.M | true | true | 675.398926 | true | 3 | 5 |
1n4r__1__1.A_1.B_1.M__1.M_1.RA_1.S_1.T_1.U | train | 1n4r | X-RAY DIFFRACTION | 2.8 | true | MAATEGVGESAPGGEPGQPEQPPPPPPPPPAQQPQEEEMAAEAGEAAASPMDDGFLSLDSPTYVLYRDRAEWADIDPVPQNDGPSPVVQIIYSEKFRDVYDYFRAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLRSLQKDLQEEMNYIIAIIEEQPKNYQVWHHRRVLVEWLKDPSQELEFIADILNQDAKNYHAWQHRQWVIQEFRLWDNELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSRYPNLLNQLLDLQPSHSSPYLIAFLVDIYE... | A | 1.A | C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C | GER | 1.RA | true | true | 274.266052 | true | 3 | 5 |
1n4r__1__1.A_1.B_1.M__1.M_1.RA_1.S_1.T_1.U | train | 1n4r | X-RAY DIFFRACTION | 2.8 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | B | 1.B | C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C | GER | 1.RA | true | true | 274.266052 | true | 3 | 5 |
1n4r__1__1.A_1.B_1.M__1.M_1.RA_1.S_1.T_1.U | train | 1n4r | X-RAY DIFFRACTION | 2.8 | true | KKKSKTKCVIL | M | 1.M | C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C | GER | 1.RA | true | true | 274.266052 | true | 3 | 5 |
1n4r__1__1.A_1.B_1.M__1.M_1.RA_1.S_1.T_1.U | train | 1n4r | X-RAY DIFFRACTION | 2.8 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | B | 1.B | [Zn+2] | ZN | 1.T | false | false | 63.928043 | true | 3 | 5 |
1n4r__1__1.A_1.B_1.M__1.M_1.RA_1.S_1.T_1.U | train | 1n4r | X-RAY DIFFRACTION | 2.8 | true | KKKSKTKCVIL | M | 1.M | [Zn+2] | ZN | 1.T | false | false | 63.928043 | true | 3 | 5 |
1n4q__4__1.G_1.H_1.P__1.CA_1.EA_1.P | train | 1n4q | X-RAY DIFFRACTION | 2.4 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | H | 1.H | [Zn+2] | ZN | 1.CA | false | false | 63.928043 | true | 3 | 3 |
1n4q__4__1.G_1.H_1.P__1.CA_1.EA_1.P | train | 1n4q | X-RAY DIFFRACTION | 2.4 | true | KKKSKTKCVIL | P | 1.P | [Zn+2] | ZN | 1.CA | false | false | 63.928043 | true | 3 | 3 |
1n4q__4__1.G_1.H_1.P__1.CA_1.EA_1.P | train | 1n4q | X-RAY DIFFRACTION | 2.4 | true | MAATEGVGESAPGGEPGQPEQPPPPPPPPPAQQPQEEEMAAEAGEAAASPMDDGFLSLDSPTYVLYRDRAEWADIDPVPQNDGPSPVVQIIYSEKFRDVYDYFRAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLRSLQKDLQEEMNYIIAIIEEQPKNYQVWHHRRVLVEWLKDPSQELEFIADILNQDAKNYHAWQHRQWVIQEFRLWDNELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSRYPNLLNQLLDLQPSHSSPYLIAFLVDIYE... | G | 1.G | CC(C)=CCC/C(C)=C/CC/C(C)=C/CCN(C)CCO[P@](=O)(O)OP(=O)(O)O | MGM | 1.EA | true | false | 453.204529 | true | 3 | 3 |
1n4q__4__1.G_1.H_1.P__1.CA_1.EA_1.P | train | 1n4q | X-RAY DIFFRACTION | 2.4 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | H | 1.H | CC(C)=CCC/C(C)=C/CC/C(C)=C/CCN(C)CCO[P@](=O)(O)OP(=O)(O)O | MGM | 1.EA | true | false | 453.204529 | true | 3 | 3 |
1n4q__4__1.G_1.H_1.P__1.CA_1.EA_1.P | train | 1n4q | X-RAY DIFFRACTION | 2.4 | true | KKKSKTKCVIL | P | 1.P | CC(C)=CCC/C(C)=C/CC/C(C)=C/CCN(C)CCO[P@](=O)(O)OP(=O)(O)O | MGM | 1.EA | true | false | 453.204529 | true | 3 | 3 |
1n4q__4__1.G_1.H_1.P__1.CA_1.EA_1.P | train | 1n4q | X-RAY DIFFRACTION | 2.4 | true | MAATEGVGESAPGGEPGQPEQPPPPPPPPPAQQPQEEEMAAEAGEAAASPMDDGFLSLDSPTYVLYRDRAEWADIDPVPQNDGPSPVVQIIYSEKFRDVYDYFRAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLRSLQKDLQEEMNYIIAIIEEQPKNYQVWHHRRVLVEWLKDPSQELEFIADILNQDAKNYHAWQHRQWVIQEFRLWDNELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSRYPNLLNQLLDLQPSHSSPYLIAFLVDIYE... | G | 1.G | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | LYS-CYS-VAL-ILE-LEU | 1.P | true | false | 574.351257 | true | 3 | 3 |
1n4q__4__1.G_1.H_1.P__1.CA_1.EA_1.P | train | 1n4q | X-RAY DIFFRACTION | 2.4 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | H | 1.H | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | LYS-CYS-VAL-ILE-LEU | 1.P | true | false | 574.351257 | true | 3 | 3 |
1n3t__2__1.M_2.M_2.N__2.CA | train | 1n3t | X-RAY DIFFRACTION | 3.2 | true | PSLSKEAALVHEALVARGLETPLRPPVHEMDNETRKSLIAGHMTEIMQLLNLDLADDSLMETPHRIAKMYVDEIFSGLDYANFPKITLIENKMKVDEMVTVRDITLTSTCEHHFVTIDGKATVAYIPKDSVIGLSKINRIVQFFAQRPQVQERLTQQILIALQTLLGTNNVAVSIDAVHYSVKARGIRDATSATTTTSLGGLFKSSQNTRHEFLRAVRHHN | M | 1.M | Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | GTP | 2.CA | true | false | 522.990662 | false | 3 | 1 |
1n4q__5__1.I_1.J_1.Q__1.FA_1.HA_1.Q | train | 1n4q | X-RAY DIFFRACTION | 2.4 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | J | 1.J | [Zn+2] | ZN | 1.FA | false | false | 63.928043 | true | 3 | 3 |
1n4q__5__1.I_1.J_1.Q__1.FA_1.HA_1.Q | train | 1n4q | X-RAY DIFFRACTION | 2.4 | true | KKKSKTKCVIL | Q | 1.Q | [Zn+2] | ZN | 1.FA | false | false | 63.928043 | true | 3 | 3 |
1n4q__5__1.I_1.J_1.Q__1.FA_1.HA_1.Q | train | 1n4q | X-RAY DIFFRACTION | 2.4 | true | MAATEGVGESAPGGEPGQPEQPPPPPPPPPAQQPQEEEMAAEAGEAAASPMDDGFLSLDSPTYVLYRDRAEWADIDPVPQNDGPSPVVQIIYSEKFRDVYDYFRAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLRSLQKDLQEEMNYIIAIIEEQPKNYQVWHHRRVLVEWLKDPSQELEFIADILNQDAKNYHAWQHRQWVIQEFRLWDNELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSRYPNLLNQLLDLQPSHSSPYLIAFLVDIYE... | I | 1.I | CC(C)=CCC/C(C)=C/CC/C(C)=C/CCN(C)CCO[P@](=O)(O)OP(=O)(O)O | MGM | 1.HA | true | false | 453.204529 | true | 3 | 3 |
1n4q__5__1.I_1.J_1.Q__1.FA_1.HA_1.Q | train | 1n4q | X-RAY DIFFRACTION | 2.4 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | J | 1.J | CC(C)=CCC/C(C)=C/CC/C(C)=C/CCN(C)CCO[P@](=O)(O)OP(=O)(O)O | MGM | 1.HA | true | false | 453.204529 | true | 3 | 3 |
1n4q__5__1.I_1.J_1.Q__1.FA_1.HA_1.Q | train | 1n4q | X-RAY DIFFRACTION | 2.4 | true | KKKSKTKCVIL | Q | 1.Q | CC(C)=CCC/C(C)=C/CC/C(C)=C/CCN(C)CCO[P@](=O)(O)OP(=O)(O)O | MGM | 1.HA | true | false | 453.204529 | true | 3 | 3 |
1n4q__5__1.I_1.J_1.Q__1.FA_1.HA_1.Q | train | 1n4q | X-RAY DIFFRACTION | 2.4 | true | MAATEGVGESAPGGEPGQPEQPPPPPPPPPAQQPQEEEMAAEAGEAAASPMDDGFLSLDSPTYVLYRDRAEWADIDPVPQNDGPSPVVQIIYSEKFRDVYDYFRAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLRSLQKDLQEEMNYIIAIIEEQPKNYQVWHHRRVLVEWLKDPSQELEFIADILNQDAKNYHAWQHRQWVIQEFRLWDNELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSRYPNLLNQLLDLQPSHSSPYLIAFLVDIYE... | I | 1.I | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | LYS-CYS-VAL-ILE-LEU | 1.Q | true | false | 574.351257 | true | 3 | 3 |
1n4q__5__1.I_1.J_1.Q__1.FA_1.HA_1.Q | train | 1n4q | X-RAY DIFFRACTION | 2.4 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | J | 1.J | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | LYS-CYS-VAL-ILE-LEU | 1.Q | true | false | 574.351257 | true | 3 | 3 |
1n45__1__1.A__1.D | train | 1n45 | X-RAY DIFFRACTION | 1.5 | true | MERPQPDSMPQDLSEALKEATKEVHTQAENAEFMRNFQKGQVTRDGFKLVMASLYHIYVALEEEIERNKESPVFAPVYFPEELHRKAALEQDLAFWYGPRWQEVIPYTPAMQRYVKRLHEVGRTEPELLVAHAYTRYLGDLSGGQVLKKIAQKALDLPSSGEGLAFFTFPNIASATKFKQLYRSRMNSLEMTPAVRQRVIEEAKTAFLLNIQLFEELQELLTHDTKDQSPSRA | A | 1.A | C=CC1=C(C)C2=Cc3c(C)c(CCC(=O)O)c4n3[Fe]35<-N6=C(C=c7c(C=C)c(C)c(n73)=CC1=N->52)C(C)=C(CCC(=O)O)C6=C4 | HEM | 1.D | true | false | 616.177307 | false | 1 | 1 |
1n4s__1__1.A_1.B_1.M__1.M_1.NA_1.U | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | MAATEGVGESAPGGEPGQPEQPPPPPPPPPAQQPQEEEMAAEAGEAAASPMDDGFLSLDSPTYVLYRDRAEWADIDPVPQNDGPSPVVQIIYSEKFRDVYDYFRAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLRSLQKDLQEEMNYIIAIIEEQPKNYQVWHHRRVLVEWLKDPSQELEFIADILNQDAKNYHAWQHRQWVIQEFRLWDNELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSRYPNLLNQLLDLQPSHSSPYLIAFLVDIYE... | A | 1.A | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | CYS-VAL-ILE-LEU | 1.M | true | true | 446.256287 | false | 3 | 3 |
1n4s__1__1.A_1.B_1.M__1.M_1.NA_1.U | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | B | 1.B | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | CYS-VAL-ILE-LEU | 1.M | true | true | 446.256287 | false | 3 | 3 |
1n4s__1__1.A_1.B_1.M__1.M_1.NA_1.U | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | MAATEGVGESAPGGEPGQPEQPPPPPPPPPAQQPQEEEMAAEAGEAAASPMDDGFLSLDSPTYVLYRDRAEWADIDPVPQNDGPSPVVQIIYSEKFRDVYDYFRAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLRSLQKDLQEEMNYIIAIIEEQPKNYQVWHHRRVLVEWLKDPSQELEFIADILNQDAKNYHAWQHRQWVIQEFRLWDNELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSRYPNLLNQLLDLQPSHSSPYLIAFLVDIYE... | A | 1.A | C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C | GER | 1.NA | true | true | 274.266052 | false | 3 | 3 |
1n4s__1__1.A_1.B_1.M__1.M_1.NA_1.U | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | B | 1.B | C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C | GER | 1.NA | true | true | 274.266052 | false | 3 | 3 |
1n4s__1__1.A_1.B_1.M__1.M_1.NA_1.U | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | KKKSKTKCVIL | M | 1.M | C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C | GER | 1.NA | true | true | 274.266052 | false | 3 | 3 |
1n4s__1__1.A_1.B_1.M__1.M_1.NA_1.U | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | MAATEGVGESAPGGEPGQPEQPPPPPPPPPAQQPQEEEMAAEAGEAAASPMDDGFLSLDSPTYVLYRDRAEWADIDPVPQNDGPSPVVQIIYSEKFRDVYDYFRAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLRSLQKDLQEEMNYIIAIIEEQPKNYQVWHHRRVLVEWLKDPSQELEFIADILNQDAKNYHAWQHRQWVIQEFRLWDNELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSRYPNLLNQLLDLQPSHSSPYLIAFLVDIYE... | A | 1.A | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO[P@](=O)(O)OP(=O)(O)O | GRG | 1.U | true | false | 450.193634 | false | 3 | 3 |
1n4s__1__1.A_1.B_1.M__1.M_1.NA_1.U | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | B | 1.B | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO[P@](=O)(O)OP(=O)(O)O | GRG | 1.U | true | false | 450.193634 | false | 3 | 3 |
1n4s__1__1.A_1.B_1.M__1.M_1.NA_1.U | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | KKKSKTKCVIL | M | 1.M | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO[P@](=O)(O)OP(=O)(O)O | GRG | 1.U | true | false | 450.193634 | false | 3 | 3 |
1n4s__4__1.G_1.H_1.P__1.FA_1.P_1.QA | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | MAATEGVGESAPGGEPGQPEQPPPPPPPPPAQQPQEEEMAAEAGEAAASPMDDGFLSLDSPTYVLYRDRAEWADIDPVPQNDGPSPVVQIIYSEKFRDVYDYFRAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLRSLQKDLQEEMNYIIAIIEEQPKNYQVWHHRRVLVEWLKDPSQELEFIADILNQDAKNYHAWQHRQWVIQEFRLWDNELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSRYPNLLNQLLDLQPSHSSPYLIAFLVDIYE... | G | 1.G | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO[P@](=O)(O)OP(=O)(O)O | GRG | 1.FA | true | false | 450.193634 | false | 3 | 3 |
1n4s__4__1.G_1.H_1.P__1.FA_1.P_1.QA | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | H | 1.H | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO[P@](=O)(O)OP(=O)(O)O | GRG | 1.FA | true | false | 450.193634 | false | 3 | 3 |
1n4s__4__1.G_1.H_1.P__1.FA_1.P_1.QA | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | KKKSKTKCVIL | P | 1.P | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO[P@](=O)(O)OP(=O)(O)O | GRG | 1.FA | true | false | 450.193634 | false | 3 | 3 |
1n4s__4__1.G_1.H_1.P__1.FA_1.P_1.QA | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | MAATEGVGESAPGGEPGQPEQPPPPPPPPPAQQPQEEEMAAEAGEAAASPMDDGFLSLDSPTYVLYRDRAEWADIDPVPQNDGPSPVVQIIYSEKFRDVYDYFRAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLRSLQKDLQEEMNYIIAIIEEQPKNYQVWHHRRVLVEWLKDPSQELEFIADILNQDAKNYHAWQHRQWVIQEFRLWDNELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSRYPNLLNQLLDLQPSHSSPYLIAFLVDIYE... | G | 1.G | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | CYS-VAL-ILE-LEU | 1.P | true | false | 446.256287 | false | 3 | 3 |
1n4s__4__1.G_1.H_1.P__1.FA_1.P_1.QA | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | H | 1.H | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | CYS-VAL-ILE-LEU | 1.P | true | false | 446.256287 | false | 3 | 3 |
1n4s__4__1.G_1.H_1.P__1.FA_1.P_1.QA | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | H | 1.H | C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C | GER | 1.QA | true | false | 274.266052 | false | 3 | 3 |
1n4s__4__1.G_1.H_1.P__1.FA_1.P_1.QA | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | KKKSKTKCVIL | P | 1.P | C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C | GER | 1.QA | true | false | 274.266052 | false | 3 | 3 |
1n4q__3__1.E_1.F_1.O__1.AA_1.O_1.Y | train | 1n4q | X-RAY DIFFRACTION | 2.4 | true | MAATEGVGESAPGGEPGQPEQPPPPPPPPPAQQPQEEEMAAEAGEAAASPMDDGFLSLDSPTYVLYRDRAEWADIDPVPQNDGPSPVVQIIYSEKFRDVYDYFRAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLRSLQKDLQEEMNYIIAIIEEQPKNYQVWHHRRVLVEWLKDPSQELEFIADILNQDAKNYHAWQHRQWVIQEFRLWDNELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSRYPNLLNQLLDLQPSHSSPYLIAFLVDIYE... | E | 1.E | CC(C)=CCC/C(C)=C/CC/C(C)=C/CCN(C)CCO[P@](=O)(O)OP(=O)(O)O | MGM | 1.AA | true | false | 453.204529 | true | 3 | 3 |
1n4q__3__1.E_1.F_1.O__1.AA_1.O_1.Y | train | 1n4q | X-RAY DIFFRACTION | 2.4 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | F | 1.F | CC(C)=CCC/C(C)=C/CC/C(C)=C/CCN(C)CCO[P@](=O)(O)OP(=O)(O)O | MGM | 1.AA | true | false | 453.204529 | true | 3 | 3 |
1n4q__3__1.E_1.F_1.O__1.AA_1.O_1.Y | train | 1n4q | X-RAY DIFFRACTION | 2.4 | true | KKKSKTKCVIL | O | 1.O | CC(C)=CCC/C(C)=C/CC/C(C)=C/CCN(C)CCO[P@](=O)(O)OP(=O)(O)O | MGM | 1.AA | true | false | 453.204529 | true | 3 | 3 |
1n4q__3__1.E_1.F_1.O__1.AA_1.O_1.Y | train | 1n4q | X-RAY DIFFRACTION | 2.4 | true | MAATEGVGESAPGGEPGQPEQPPPPPPPPPAQQPQEEEMAAEAGEAAASPMDDGFLSLDSPTYVLYRDRAEWADIDPVPQNDGPSPVVQIIYSEKFRDVYDYFRAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLRSLQKDLQEEMNYIIAIIEEQPKNYQVWHHRRVLVEWLKDPSQELEFIADILNQDAKNYHAWQHRQWVIQEFRLWDNELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSRYPNLLNQLLDLQPSHSSPYLIAFLVDIYE... | E | 1.E | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | LYS-CYS-VAL-ILE-LEU | 1.O | true | false | 574.351257 | true | 3 | 3 |
1n4q__3__1.E_1.F_1.O__1.AA_1.O_1.Y | train | 1n4q | X-RAY DIFFRACTION | 2.4 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | F | 1.F | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | LYS-CYS-VAL-ILE-LEU | 1.O | true | false | 574.351257 | true | 3 | 3 |
1n4q__3__1.E_1.F_1.O__1.AA_1.O_1.Y | train | 1n4q | X-RAY DIFFRACTION | 2.4 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | F | 1.F | [Zn+2] | ZN | 1.Y | false | false | 63.928043 | true | 3 | 3 |
1n4q__3__1.E_1.F_1.O__1.AA_1.O_1.Y | train | 1n4q | X-RAY DIFFRACTION | 2.4 | true | KKKSKTKCVIL | O | 1.O | [Zn+2] | ZN | 1.Y | false | false | 63.928043 | true | 3 | 3 |
1n4p__1__1.A_1.B__1.Q | train | 1n4p | X-RAY DIFFRACTION | 2.65 | true | MAATEGVGESAPGGEPGQPEQPPPPPPPPPAQQPQEEEMAAEAGEAAASPMDDGFLSLDSPTYVLYRDRAEWADIDPVPQNDGPSPVVQIIYSEKFRDVYDYFRAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLRSLQKDLQEEMNYIIAIIEEQPKNYQVWHHRRVLVEWLKDPSQELEFIADILNQDAKNYHAWQHRQWVIQEFRLWDNELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSRYPNLLNQLLDLQPSHSSPYLIAFLVDIYE... | A | 1.A | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO[P@](=O)(O)OP(=O)(O)O | GRG | 1.Q | true | false | 450.193634 | true | 2 | 1 |
1n4p__1__1.A_1.B__1.Q | train | 1n4p | X-RAY DIFFRACTION | 2.65 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | B | 1.B | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO[P@](=O)(O)OP(=O)(O)O | GRG | 1.Q | true | false | 450.193634 | true | 2 | 1 |
1n4s__2__1.C_1.D_1.N__1.N_1.OA_1.Y | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | MAATEGVGESAPGGEPGQPEQPPPPPPPPPAQQPQEEEMAAEAGEAAASPMDDGFLSLDSPTYVLYRDRAEWADIDPVPQNDGPSPVVQIIYSEKFRDVYDYFRAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLRSLQKDLQEEMNYIIAIIEEQPKNYQVWHHRRVLVEWLKDPSQELEFIADILNQDAKNYHAWQHRQWVIQEFRLWDNELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSRYPNLLNQLLDLQPSHSSPYLIAFLVDIYE... | C | 1.C | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | CYS-VAL-ILE-LEU | 1.N | true | false | 446.256287 | false | 3 | 3 |
1n4s__2__1.C_1.D_1.N__1.N_1.OA_1.Y | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | D | 1.D | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | CYS-VAL-ILE-LEU | 1.N | true | false | 446.256287 | false | 3 | 3 |
1n4s__2__1.C_1.D_1.N__1.N_1.OA_1.Y | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | MAATEGVGESAPGGEPGQPEQPPPPPPPPPAQQPQEEEMAAEAGEAAASPMDDGFLSLDSPTYVLYRDRAEWADIDPVPQNDGPSPVVQIIYSEKFRDVYDYFRAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLRSLQKDLQEEMNYIIAIIEEQPKNYQVWHHRRVLVEWLKDPSQELEFIADILNQDAKNYHAWQHRQWVIQEFRLWDNELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSRYPNLLNQLLDLQPSHSSPYLIAFLVDIYE... | C | 1.C | C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C | GER | 1.OA | true | false | 274.266052 | false | 3 | 3 |
1n4s__2__1.C_1.D_1.N__1.N_1.OA_1.Y | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | D | 1.D | C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C | GER | 1.OA | true | false | 274.266052 | false | 3 | 3 |
1n4s__2__1.C_1.D_1.N__1.N_1.OA_1.Y | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | KKKSKTKCVIL | N | 1.N | C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C | GER | 1.OA | true | false | 274.266052 | false | 3 | 3 |
1n4s__2__1.C_1.D_1.N__1.N_1.OA_1.Y | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | MAATEGVGESAPGGEPGQPEQPPPPPPPPPAQQPQEEEMAAEAGEAAASPMDDGFLSLDSPTYVLYRDRAEWADIDPVPQNDGPSPVVQIIYSEKFRDVYDYFRAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLRSLQKDLQEEMNYIIAIIEEQPKNYQVWHHRRVLVEWLKDPSQELEFIADILNQDAKNYHAWQHRQWVIQEFRLWDNELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSRYPNLLNQLLDLQPSHSSPYLIAFLVDIYE... | C | 1.C | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO[P@](=O)(O)OP(=O)(O)O | GRG | 1.Y | true | false | 450.193634 | false | 3 | 3 |
1n4s__2__1.C_1.D_1.N__1.N_1.OA_1.Y | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | D | 1.D | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO[P@](=O)(O)OP(=O)(O)O | GRG | 1.Y | true | false | 450.193634 | false | 3 | 3 |
1n4s__2__1.C_1.D_1.N__1.N_1.OA_1.Y | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | KKKSKTKCVIL | N | 1.N | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO[P@](=O)(O)OP(=O)(O)O | GRG | 1.Y | true | false | 450.193634 | false | 3 | 3 |
1n4r__5__1.I_1.J_1.Q__1.JA_1.KA_1.MA_1.Q_1.VA | train | 1n4r | X-RAY DIFFRACTION | 2.8 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | J | 1.J | [Zn+2] | ZN | 1.KA | false | false | 63.928043 | true | 3 | 5 |
1n4r__5__1.I_1.J_1.Q__1.JA_1.KA_1.MA_1.Q_1.VA | train | 1n4r | X-RAY DIFFRACTION | 2.8 | true | KKKSKTKCVIL | Q | 1.Q | [Zn+2] | ZN | 1.KA | false | false | 63.928043 | true | 3 | 5 |
1n4r__5__1.I_1.J_1.Q__1.JA_1.KA_1.MA_1.Q_1.VA | train | 1n4r | X-RAY DIFFRACTION | 2.8 | true | MAATEGVGESAPGGEPGQPEQPPPPPPPPPAQQPQEEEMAAEAGEAAASPMDDGFLSLDSPTYVLYRDRAEWADIDPVPQNDGPSPVVQIIYSEKFRDVYDYFRAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLRSLQKDLQEEMNYIIAIIEEQPKNYQVWHHRRVLVEWLKDPSQELEFIADILNQDAKNYHAWQHRQWVIQEFRLWDNELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSRYPNLLNQLLDLQPSHSSPYLIAFLVDIYE... | I | 1.I | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | THR-LYS-CYS-VAL-ILE-LEU | 1.Q | true | false | 675.398926 | true | 3 | 5 |
1n4r__5__1.I_1.J_1.Q__1.JA_1.KA_1.MA_1.Q_1.VA | train | 1n4r | X-RAY DIFFRACTION | 2.8 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | J | 1.J | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | THR-LYS-CYS-VAL-ILE-LEU | 1.Q | true | false | 675.398926 | true | 3 | 5 |
1n4r__5__1.I_1.J_1.Q__1.JA_1.KA_1.MA_1.Q_1.VA | train | 1n4r | X-RAY DIFFRACTION | 2.8 | true | MAATEGVGESAPGGEPGQPEQPPPPPPPPPAQQPQEEEMAAEAGEAAASPMDDGFLSLDSPTYVLYRDRAEWADIDPVPQNDGPSPVVQIIYSEKFRDVYDYFRAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLRSLQKDLQEEMNYIIAIIEEQPKNYQVWHHRRVLVEWLKDPSQELEFIADILNQDAKNYHAWQHRQWVIQEFRLWDNELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSRYPNLLNQLLDLQPSHSSPYLIAFLVDIYE... | I | 1.I | C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C | GER | 1.VA | true | false | 274.266052 | true | 3 | 5 |
1n4r__5__1.I_1.J_1.Q__1.JA_1.KA_1.MA_1.Q_1.VA | train | 1n4r | X-RAY DIFFRACTION | 2.8 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | J | 1.J | C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C | GER | 1.VA | true | false | 274.266052 | true | 3 | 5 |
1n4r__5__1.I_1.J_1.Q__1.JA_1.KA_1.MA_1.Q_1.VA | train | 1n4r | X-RAY DIFFRACTION | 2.8 | true | KKKSKTKCVIL | Q | 1.Q | C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C | GER | 1.VA | true | false | 274.266052 | true | 3 | 5 |
1n4r__4__1.G_1.H_1.P__1.FA_1.GA_1.IA_1.P_1.UA | train | 1n4r | X-RAY DIFFRACTION | 2.8 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | H | 1.H | [Zn+2] | ZN | 1.GA | false | false | 63.928043 | false | 3 | 5 |
1n4r__4__1.G_1.H_1.P__1.FA_1.GA_1.IA_1.P_1.UA | train | 1n4r | X-RAY DIFFRACTION | 2.8 | true | KKKSKTKCVIL | P | 1.P | [Zn+2] | ZN | 1.GA | false | false | 63.928043 | false | 3 | 5 |
1n4r__4__1.G_1.H_1.P__1.FA_1.GA_1.IA_1.P_1.UA | train | 1n4r | X-RAY DIFFRACTION | 2.8 | true | MAATEGVGESAPGGEPGQPEQPPPPPPPPPAQQPQEEEMAAEAGEAAASPMDDGFLSLDSPTYVLYRDRAEWADIDPVPQNDGPSPVVQIIYSEKFRDVYDYFRAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLRSLQKDLQEEMNYIIAIIEEQPKNYQVWHHRRVLVEWLKDPSQELEFIADILNQDAKNYHAWQHRQWVIQEFRLWDNELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSRYPNLLNQLLDLQPSHSSPYLIAFLVDIYE... | G | 1.G | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | THR-LYS-CYS-VAL-ILE-LEU | 1.P | true | false | 675.398926 | false | 3 | 5 |
1n4r__4__1.G_1.H_1.P__1.FA_1.GA_1.IA_1.P_1.UA | train | 1n4r | X-RAY DIFFRACTION | 2.8 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | H | 1.H | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | THR-LYS-CYS-VAL-ILE-LEU | 1.P | true | false | 675.398926 | false | 3 | 5 |
1n4r__4__1.G_1.H_1.P__1.FA_1.GA_1.IA_1.P_1.UA | train | 1n4r | X-RAY DIFFRACTION | 2.8 | true | MAATEGVGESAPGGEPGQPEQPPPPPPPPPAQQPQEEEMAAEAGEAAASPMDDGFLSLDSPTYVLYRDRAEWADIDPVPQNDGPSPVVQIIYSEKFRDVYDYFRAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLRSLQKDLQEEMNYIIAIIEEQPKNYQVWHHRRVLVEWLKDPSQELEFIADILNQDAKNYHAWQHRQWVIQEFRLWDNELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSRYPNLLNQLLDLQPSHSSPYLIAFLVDIYE... | G | 1.G | C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C | GER | 1.UA | true | false | 274.266052 | false | 3 | 5 |
1n4r__4__1.G_1.H_1.P__1.FA_1.GA_1.IA_1.P_1.UA | train | 1n4r | X-RAY DIFFRACTION | 2.8 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | H | 1.H | C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C | GER | 1.UA | true | false | 274.266052 | false | 3 | 5 |
1n4r__4__1.G_1.H_1.P__1.FA_1.GA_1.IA_1.P_1.UA | train | 1n4r | X-RAY DIFFRACTION | 2.8 | true | KKKSKTKCVIL | P | 1.P | C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C | GER | 1.UA | true | false | 274.266052 | false | 3 | 5 |
1n4v__1__1.A__1.B | train | 1n4v | X-RAY DIFFRACTION | 1 | true | DNGGYVPAVVIGTGYGAAVSALRLGEAGVQTLMLEMGQLWNQPGPDGNIFCGMLNPDKRSSWFKNRTEAPLGSFLWLDVVNRNIDPYAGVLDRVNYDQMSVYVGRGVGGGSLVNGGMAVEPKRSYFEEILPRVDSSEMYDRYFPRANSMLRVNHIDTKWFEDTEWYKFARVSREQAGKAGLGTVFVPNVYDFGYMQREAAGEVPKSALATEVIYGNNHGKQSLDKTYLAAALGTGKVTIQTLHQVKTIRQTKDGGYALTVEQKDTDGKLLATKEISCRYLFLGAGSLGSTELLVRARDTGTLPNLNSEVGAGWGPNGNIM... | A | 1.A | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c2cc1C | FAD | 1.B | true | false | 785.157104 | false | 1 | 1 |
1n4r__2__1.C_1.D_1.N__1.N_1.SA_1.W_1.X_1.Z | train | 1n4r | X-RAY DIFFRACTION | 2.8 | true | MAATEGVGESAPGGEPGQPEQPPPPPPPPPAQQPQEEEMAAEAGEAAASPMDDGFLSLDSPTYVLYRDRAEWADIDPVPQNDGPSPVVQIIYSEKFRDVYDYFRAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLRSLQKDLQEEMNYIIAIIEEQPKNYQVWHHRRVLVEWLKDPSQELEFIADILNQDAKNYHAWQHRQWVIQEFRLWDNELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSRYPNLLNQLLDLQPSHSSPYLIAFLVDIYE... | C | 1.C | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | THR-LYS-CYS-VAL-ILE-LEU | 1.N | true | false | 675.398926 | true | 3 | 5 |
1n4r__2__1.C_1.D_1.N__1.N_1.SA_1.W_1.X_1.Z | train | 1n4r | X-RAY DIFFRACTION | 2.8 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | D | 1.D | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | THR-LYS-CYS-VAL-ILE-LEU | 1.N | true | false | 675.398926 | true | 3 | 5 |
1n4r__2__1.C_1.D_1.N__1.N_1.SA_1.W_1.X_1.Z | train | 1n4r | X-RAY DIFFRACTION | 2.8 | true | MAATEGVGESAPGGEPGQPEQPPPPPPPPPAQQPQEEEMAAEAGEAAASPMDDGFLSLDSPTYVLYRDRAEWADIDPVPQNDGPSPVVQIIYSEKFRDVYDYFRAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLRSLQKDLQEEMNYIIAIIEEQPKNYQVWHHRRVLVEWLKDPSQELEFIADILNQDAKNYHAWQHRQWVIQEFRLWDNELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSRYPNLLNQLLDLQPSHSSPYLIAFLVDIYE... | C | 1.C | C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C | GER | 1.SA | true | false | 274.266052 | true | 3 | 5 |
1n4r__2__1.C_1.D_1.N__1.N_1.SA_1.W_1.X_1.Z | train | 1n4r | X-RAY DIFFRACTION | 2.8 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | D | 1.D | C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C | GER | 1.SA | true | false | 274.266052 | true | 3 | 5 |
1n4r__2__1.C_1.D_1.N__1.N_1.SA_1.W_1.X_1.Z | train | 1n4r | X-RAY DIFFRACTION | 2.8 | true | KKKSKTKCVIL | N | 1.N | C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C | GER | 1.SA | true | false | 274.266052 | true | 3 | 5 |
1n4r__2__1.C_1.D_1.N__1.N_1.SA_1.W_1.X_1.Z | train | 1n4r | X-RAY DIFFRACTION | 2.8 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | D | 1.D | [Zn+2] | ZN | 1.X | false | false | 63.928043 | true | 3 | 5 |
1n4r__2__1.C_1.D_1.N__1.N_1.SA_1.W_1.X_1.Z | train | 1n4r | X-RAY DIFFRACTION | 2.8 | true | KKKSKTKCVIL | N | 1.N | [Zn+2] | ZN | 1.X | false | false | 63.928043 | true | 3 | 5 |
1n4q__6__1.K_1.L_1.R__1.KA_1.LA_1.R | train | 1n4q | X-RAY DIFFRACTION | 2.4 | true | MAATEGVGESAPGGEPGQPEQPPPPPPPPPAQQPQEEEMAAEAGEAAASPMDDGFLSLDSPTYVLYRDRAEWADIDPVPQNDGPSPVVQIIYSEKFRDVYDYFRAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLRSLQKDLQEEMNYIIAIIEEQPKNYQVWHHRRVLVEWLKDPSQELEFIADILNQDAKNYHAWQHRQWVIQEFRLWDNELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSRYPNLLNQLLDLQPSHSSPYLIAFLVDIYE... | K | 1.K | CC(C)=CCC/C(C)=C/CC/C(C)=C/CCN(C)CCO[P@](=O)(O)OP(=O)(O)O | MGM | 1.KA | true | false | 453.204529 | true | 3 | 3 |
1n4q__6__1.K_1.L_1.R__1.KA_1.LA_1.R | train | 1n4q | X-RAY DIFFRACTION | 2.4 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | L | 1.L | CC(C)=CCC/C(C)=C/CC/C(C)=C/CCN(C)CCO[P@](=O)(O)OP(=O)(O)O | MGM | 1.KA | true | false | 453.204529 | true | 3 | 3 |
1n4q__6__1.K_1.L_1.R__1.KA_1.LA_1.R | train | 1n4q | X-RAY DIFFRACTION | 2.4 | true | KKKSKTKCVIL | R | 1.R | CC(C)=CCC/C(C)=C/CC/C(C)=C/CCN(C)CCO[P@](=O)(O)OP(=O)(O)O | MGM | 1.KA | true | false | 453.204529 | true | 3 | 3 |
1n4q__6__1.K_1.L_1.R__1.KA_1.LA_1.R | train | 1n4q | X-RAY DIFFRACTION | 2.4 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | L | 1.L | C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C | GER | 1.LA | true | false | 274.266052 | true | 3 | 3 |
1n4q__6__1.K_1.L_1.R__1.KA_1.LA_1.R | train | 1n4q | X-RAY DIFFRACTION | 2.4 | true | KKKSKTKCVIL | R | 1.R | C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C | GER | 1.LA | true | false | 274.266052 | true | 3 | 3 |
1n4q__6__1.K_1.L_1.R__1.KA_1.LA_1.R | train | 1n4q | X-RAY DIFFRACTION | 2.4 | true | MAATEGVGESAPGGEPGQPEQPPPPPPPPPAQQPQEEEMAAEAGEAAASPMDDGFLSLDSPTYVLYRDRAEWADIDPVPQNDGPSPVVQIIYSEKFRDVYDYFRAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLRSLQKDLQEEMNYIIAIIEEQPKNYQVWHHRRVLVEWLKDPSQELEFIADILNQDAKNYHAWQHRQWVIQEFRLWDNELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSRYPNLLNQLLDLQPSHSSPYLIAFLVDIYE... | K | 1.K | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | LYS-CYS-VAL-ILE-LEU | 1.R | true | true | 574.351257 | true | 3 | 3 |
1n4q__6__1.K_1.L_1.R__1.KA_1.LA_1.R | train | 1n4q | X-RAY DIFFRACTION | 2.4 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | L | 1.L | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | LYS-CYS-VAL-ILE-LEU | 1.R | true | true | 574.351257 | true | 3 | 3 |
1n4s__5__1.I_1.J_1.Q__1.IA_1.Q_1.RA | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | MAATEGVGESAPGGEPGQPEQPPPPPPPPPAQQPQEEEMAAEAGEAAASPMDDGFLSLDSPTYVLYRDRAEWADIDPVPQNDGPSPVVQIIYSEKFRDVYDYFRAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLRSLQKDLQEEMNYIIAIIEEQPKNYQVWHHRRVLVEWLKDPSQELEFIADILNQDAKNYHAWQHRQWVIQEFRLWDNELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSRYPNLLNQLLDLQPSHSSPYLIAFLVDIYE... | I | 1.I | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO[P@](=O)(O)OP(=O)(O)O | GRG | 1.IA | true | false | 450.193634 | false | 3 | 3 |
1n4s__5__1.I_1.J_1.Q__1.IA_1.Q_1.RA | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | J | 1.J | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO[P@](=O)(O)OP(=O)(O)O | GRG | 1.IA | true | false | 450.193634 | false | 3 | 3 |
1n4s__5__1.I_1.J_1.Q__1.IA_1.Q_1.RA | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | KKKSKTKCVIL | Q | 1.Q | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO[P@](=O)(O)OP(=O)(O)O | GRG | 1.IA | true | false | 450.193634 | false | 3 | 3 |
1n4s__5__1.I_1.J_1.Q__1.IA_1.Q_1.RA | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | MAATEGVGESAPGGEPGQPEQPPPPPPPPPAQQPQEEEMAAEAGEAAASPMDDGFLSLDSPTYVLYRDRAEWADIDPVPQNDGPSPVVQIIYSEKFRDVYDYFRAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLRSLQKDLQEEMNYIIAIIEEQPKNYQVWHHRRVLVEWLKDPSQELEFIADILNQDAKNYHAWQHRQWVIQEFRLWDNELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSRYPNLLNQLLDLQPSHSSPYLIAFLVDIYE... | I | 1.I | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | CYS-VAL-ILE-LEU | 1.Q | true | false | 446.256287 | false | 3 | 3 |
1n4s__5__1.I_1.J_1.Q__1.IA_1.Q_1.RA | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | J | 1.J | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | CYS-VAL-ILE-LEU | 1.Q | true | false | 446.256287 | false | 3 | 3 |
1n4s__5__1.I_1.J_1.Q__1.IA_1.Q_1.RA | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | J | 1.J | C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C | GER | 1.RA | true | false | 274.266052 | false | 3 | 3 |
1n4s__5__1.I_1.J_1.Q__1.IA_1.Q_1.RA | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | KKKSKTKCVIL | Q | 1.Q | C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C | GER | 1.RA | true | false | 274.266052 | false | 3 | 3 |
1n4s__3__1.E_1.F_1.O__1.BA_1.O_1.PA | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | MAATEGVGESAPGGEPGQPEQPPPPPPPPPAQQPQEEEMAAEAGEAAASPMDDGFLSLDSPTYVLYRDRAEWADIDPVPQNDGPSPVVQIIYSEKFRDVYDYFRAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLRSLQKDLQEEMNYIIAIIEEQPKNYQVWHHRRVLVEWLKDPSQELEFIADILNQDAKNYHAWQHRQWVIQEFRLWDNELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSRYPNLLNQLLDLQPSHSSPYLIAFLVDIYE... | E | 1.E | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO[P@](=O)(O)OP(=O)(O)O | GRG | 1.BA | true | false | 450.193634 | false | 3 | 3 |
1n4s__3__1.E_1.F_1.O__1.BA_1.O_1.PA | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | F | 1.F | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO[P@](=O)(O)OP(=O)(O)O | GRG | 1.BA | true | false | 450.193634 | false | 3 | 3 |
1n4s__3__1.E_1.F_1.O__1.BA_1.O_1.PA | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | KKKSKTKCVIL | O | 1.O | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO[P@](=O)(O)OP(=O)(O)O | GRG | 1.BA | true | false | 450.193634 | false | 3 | 3 |
1n4s__3__1.E_1.F_1.O__1.BA_1.O_1.PA | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | MAATEGVGESAPGGEPGQPEQPPPPPPPPPAQQPQEEEMAAEAGEAAASPMDDGFLSLDSPTYVLYRDRAEWADIDPVPQNDGPSPVVQIIYSEKFRDVYDYFRAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLRSLQKDLQEEMNYIIAIIEEQPKNYQVWHHRRVLVEWLKDPSQELEFIADILNQDAKNYHAWQHRQWVIQEFRLWDNELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSRYPNLLNQLLDLQPSHSSPYLIAFLVDIYE... | E | 1.E | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | CYS-VAL-ILE-LEU | 1.O | true | false | 446.256287 | false | 3 | 3 |
1n4s__3__1.E_1.F_1.O__1.BA_1.O_1.PA | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | F | 1.F | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | CYS-VAL-ILE-LEU | 1.O | true | false | 446.256287 | false | 3 | 3 |
1n4s__3__1.E_1.F_1.O__1.BA_1.O_1.PA | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | MAATEGVGESAPGGEPGQPEQPPPPPPPPPAQQPQEEEMAAEAGEAAASPMDDGFLSLDSPTYVLYRDRAEWADIDPVPQNDGPSPVVQIIYSEKFRDVYDYFRAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLRSLQKDLQEEMNYIIAIIEEQPKNYQVWHHRRVLVEWLKDPSQELEFIADILNQDAKNYHAWQHRQWVIQEFRLWDNELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSRYPNLLNQLLDLQPSHSSPYLIAFLVDIYE... | E | 1.E | C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C | GER | 1.PA | true | false | 274.266052 | false | 3 | 3 |
1n4s__3__1.E_1.F_1.O__1.BA_1.O_1.PA | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | F | 1.F | C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C | GER | 1.PA | true | false | 274.266052 | false | 3 | 3 |
1n4s__3__1.E_1.F_1.O__1.BA_1.O_1.PA | train | 1n4s | X-RAY DIFFRACTION | 2.6 | true | KKKSKTKCVIL | O | 1.O | C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C | GER | 1.PA | true | false | 274.266052 | false | 3 | 3 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.