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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1piv__3__1.D_5.B_5.D__5.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | QGIEDLISEVAQGALTLSLPKQQDSLPDTKASGPAHSKEVPALTAVETGATNPLAPSDTVQTRHVVQRRSRSESTIESFFARGACVAIIEVDNEQPTTRAQKLFAMWRITYKDTVQLRRKLEFFTYSRFDMEFTFVVTANFTNANNGHALNQVYQIMYIPPGAPTPKSWDDYTWQTSSNPSIFYTYGAAPARISVPYVGLANAYSHFYDGFAKVPLKTDANDQIGDSLYSAMTVDDFGVLAVRVVNDHNPTKVTSKVRIYMKPKHVRVWCPRPPRAVPYYGPGVDYRNNLDPLSEKGLTTY | B | 5.B | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 5.F | true | false | 342.194336 | false | 3 | 1 |
1piv__1__58.B_58.D_59.D__58.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | QGIEDLISEVAQGALTLSLPKQQDSLPDTKASGPAHSKEVPALTAVETGATNPLAPSDTVQTRHVVQRRSRSESTIESFFARGACVAIIEVDNEQPTTRAQKLFAMWRITYKDTVQLRRKLEFFTYSRFDMEFTFVVTANFTNANNGHALNQVYQIMYIPPGAPTPKSWDDYTWQTSSNPSIFYTYGAAPARISVPYVGLANAYSHFYDGFAKVPLKTDANDQIGDSLYSAMTVDDFGVLAVRVVNDHNPTKVTSKVRIYMKPKHVRVWCPRPPRAVPYYGPGVDYRNNLDPLSEKGLTTY | B | 58.B | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 58.F | true | false | 342.194336 | false | 3 | 1 |
1piv__1__58.B_58.D_59.D__58.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GLPVLNTPGSNQYLTSDNHQSPCAIPEFDVTPPIDIPGEVKNMMELAEIDTMIPLNLESTKRNTMDMYRVTLSDSADLSQPILCLSLSPAFDPRLSHTMLGEVLNYYTHWAGSLKFTFLFCGSMMATGKILVAYAPPGAQPPTSRKEAMLGTHVIWDLGLQSSCTMVVPWISNVTYRQTTQDSFTEGGYISMFYQTRIVVPLSTPKSMSMLGFVSACNDFSVRLLRDTTHISQSALPQ | D | 58.D | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 58.F | true | false | 342.194336 | false | 3 | 1 |
1piv__3__1.A_1.E_2.E_3.A__2.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | ISEV | A | 1.A | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 2.A | true | false | 430.242737 | false | 4 | 1 |
1piv__3__1.A_1.E_2.E_3.A__2.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GAQVSSQKVGAHENSNRAYGGSTINYTTINYYKDSASNAASKQDYSQDPSKFTEPLKDVLIKTAPALN | E | 1.E | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 2.A | true | false | 430.242737 | false | 4 | 1 |
1piv__3__2.B_2.D_3.D__2.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | QGIEDLISEVAQGALTLSLPKQQDSLPDTKASGPAHSKEVPALTAVETGATNPLAPSDTVQTRHVVQRRSRSESTIESFFARGACVAIIEVDNEQPTTRAQKLFAMWRITYKDTVQLRRKLEFFTYSRFDMEFTFVVTANFTNANNGHALNQVYQIMYIPPGAPTPKSWDDYTWQTSSNPSIFYTYGAAPARISVPYVGLANAYSHFYDGFAKVPLKTDANDQIGDSLYSAMTVDDFGVLAVRVVNDHNPTKVTSKVRIYMKPKHVRVWCPRPPRAVPYYGPGVDYRNNLDPLSEKGLTTY | B | 2.B | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 2.F | true | false | 342.194336 | false | 3 | 1 |
1piv__3__2.B_2.D_3.D__2.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GLPVLNTPGSNQYLTSDNHQSPCAIPEFDVTPPIDIPGEVKNMMELAEIDTMIPLNLESTKRNTMDMYRVTLSDSADLSQPILCLSLSPAFDPRLSHTMLGEVLNYYTHWAGSLKFTFLFCGSMMATGKILVAYAPPGAQPPTSRKEAMLGTHVIWDLGLQSSCTMVVPWISNVTYRQTTQDSFTEGGYISMFYQTRIVVPLSTPKSMSMLGFVSACNDFSVRLLRDTTHISQSALPQ | D | 2.D | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 2.F | true | false | 342.194336 | false | 3 | 1 |
1piv__1__8.B_8.D_9.D__8.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | QGIEDLISEVAQGALTLSLPKQQDSLPDTKASGPAHSKEVPALTAVETGATNPLAPSDTVQTRHVVQRRSRSESTIESFFARGACVAIIEVDNEQPTTRAQKLFAMWRITYKDTVQLRRKLEFFTYSRFDMEFTFVVTANFTNANNGHALNQVYQIMYIPPGAPTPKSWDDYTWQTSSNPSIFYTYGAAPARISVPYVGLANAYSHFYDGFAKVPLKTDANDQIGDSLYSAMTVDDFGVLAVRVVNDHNPTKVTSKVRIYMKPKHVRVWCPRPPRAVPYYGPGVDYRNNLDPLSEKGLTTY | B | 8.B | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 8.F | true | false | 342.194336 | false | 3 | 1 |
1piv__1__8.B_8.D_9.D__8.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GLPVLNTPGSNQYLTSDNHQSPCAIPEFDVTPPIDIPGEVKNMMELAEIDTMIPLNLESTKRNTMDMYRVTLSDSADLSQPILCLSLSPAFDPRLSHTMLGEVLNYYTHWAGSLKFTFLFCGSMMATGKILVAYAPPGAQPPTSRKEAMLGTHVIWDLGLQSSCTMVVPWISNVTYRQTTQDSFTEGGYISMFYQTRIVVPLSTPKSMSMLGFVSACNDFSVRLLRDTTHISQSALPQ | D | 8.D | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 8.F | true | false | 342.194336 | false | 3 | 1 |
1piv__3__3.B_3.D_4.D__3.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | QGIEDLISEVAQGALTLSLPKQQDSLPDTKASGPAHSKEVPALTAVETGATNPLAPSDTVQTRHVVQRRSRSESTIESFFARGACVAIIEVDNEQPTTRAQKLFAMWRITYKDTVQLRRKLEFFTYSRFDMEFTFVVTANFTNANNGHALNQVYQIMYIPPGAPTPKSWDDYTWQTSSNPSIFYTYGAAPARISVPYVGLANAYSHFYDGFAKVPLKTDANDQIGDSLYSAMTVDDFGVLAVRVVNDHNPTKVTSKVRIYMKPKHVRVWCPRPPRAVPYYGPGVDYRNNLDPLSEKGLTTY | B | 3.B | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 3.F | true | false | 342.194336 | false | 3 | 1 |
1piv__3__3.B_3.D_4.D__3.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GLPVLNTPGSNQYLTSDNHQSPCAIPEFDVTPPIDIPGEVKNMMELAEIDTMIPLNLESTKRNTMDMYRVTLSDSADLSQPILCLSLSPAFDPRLSHTMLGEVLNYYTHWAGSLKFTFLFCGSMMATGKILVAYAPPGAQPPTSRKEAMLGTHVIWDLGLQSSCTMVVPWISNVTYRQTTQDSFTEGGYISMFYQTRIVVPLSTPKSMSMLGFVSACNDFSVRLLRDTTHISQSALPQ | D | 3.D | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 3.F | true | false | 342.194336 | false | 3 | 1 |
1piv__4__1.A_1.E_2.E__2.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | ISEV | A | 1.A | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 2.A | true | false | 430.242737 | false | 3 | 1 |
1piv__4__1.A_1.E_2.E__2.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GAQVSSQKVGAHENSNRAYGGSTINYTTINYYKDSASNAASKQDYSQDPSKFTEPLKDVLIKTAPALN | E | 1.E | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 2.A | true | false | 430.242737 | false | 3 | 1 |
1piv__3__2.A_2.E_3.E_4.A__3.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | ISEV | A | 2.A | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 3.A | true | false | 430.242737 | false | 4 | 1 |
1piv__3__2.A_2.E_3.E_4.A__3.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GAQVSSQKVGAHENSNRAYGGSTINYTTINYYKDSASNAASKQDYSQDPSKFTEPLKDVLIKTAPALN | E | 2.E | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 3.A | true | false | 430.242737 | false | 4 | 1 |
1piv__3__3.A_3.E_4.E_5.A__4.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | ISEV | A | 3.A | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 4.A | true | false | 430.242737 | false | 4 | 1 |
1piv__3__3.A_3.E_4.E_5.A__4.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GAQVSSQKVGAHENSNRAYGGSTINYTTINYYKDSASNAASKQDYSQDPSKFTEPLKDVLIKTAPALN | E | 3.E | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 4.A | true | false | 430.242737 | false | 4 | 1 |
1piv__3__4.B_4.D_5.D__4.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | QGIEDLISEVAQGALTLSLPKQQDSLPDTKASGPAHSKEVPALTAVETGATNPLAPSDTVQTRHVVQRRSRSESTIESFFARGACVAIIEVDNEQPTTRAQKLFAMWRITYKDTVQLRRKLEFFTYSRFDMEFTFVVTANFTNANNGHALNQVYQIMYIPPGAPTPKSWDDYTWQTSSNPSIFYTYGAAPARISVPYVGLANAYSHFYDGFAKVPLKTDANDQIGDSLYSAMTVDDFGVLAVRVVNDHNPTKVTSKVRIYMKPKHVRVWCPRPPRAVPYYGPGVDYRNNLDPLSEKGLTTY | B | 4.B | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 4.F | true | false | 342.194336 | false | 3 | 1 |
1piv__3__4.B_4.D_5.D__4.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GLPVLNTPGSNQYLTSDNHQSPCAIPEFDVTPPIDIPGEVKNMMELAEIDTMIPLNLESTKRNTMDMYRVTLSDSADLSQPILCLSLSPAFDPRLSHTMLGEVLNYYTHWAGSLKFTFLFCGSMMATGKILVAYAPPGAQPPTSRKEAMLGTHVIWDLGLQSSCTMVVPWISNVTYRQTTQDSFTEGGYISMFYQTRIVVPLSTPKSMSMLGFVSACNDFSVRLLRDTTHISQSALPQ | D | 4.D | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 4.F | true | false | 342.194336 | false | 3 | 1 |
1piv__4__1.E_2.A__1.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GAQVSSQKVGAHENSNRAYGGSTINYTTINYYKDSASNAASKQDYSQDPSKFTEPLKDVLIKTAPALN | E | 1.E | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 1.A | true | false | 430.242737 | false | 2 | 1 |
1piv__4__1.E_2.A__1.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | ISEV | A | 2.A | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 1.A | true | false | 430.242737 | false | 2 | 1 |
1piv__4__1.B_1.D_2.D__1.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | QGIEDLISEVAQGALTLSLPKQQDSLPDTKASGPAHSKEVPALTAVETGATNPLAPSDTVQTRHVVQRRSRSESTIESFFARGACVAIIEVDNEQPTTRAQKLFAMWRITYKDTVQLRRKLEFFTYSRFDMEFTFVVTANFTNANNGHALNQVYQIMYIPPGAPTPKSWDDYTWQTSSNPSIFYTYGAAPARISVPYVGLANAYSHFYDGFAKVPLKTDANDQIGDSLYSAMTVDDFGVLAVRVVNDHNPTKVTSKVRIYMKPKHVRVWCPRPPRAVPYYGPGVDYRNNLDPLSEKGLTTY | B | 1.B | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 1.F | true | false | 342.194336 | false | 3 | 1 |
1piv__4__1.B_1.D_2.D__1.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GLPVLNTPGSNQYLTSDNHQSPCAIPEFDVTPPIDIPGEVKNMMELAEIDTMIPLNLESTKRNTMDMYRVTLSDSADLSQPILCLSLSPAFDPRLSHTMLGEVLNYYTHWAGSLKFTFLFCGSMMATGKILVAYAPPGAQPPTSRKEAMLGTHVIWDLGLQSSCTMVVPWISNVTYRQTTQDSFTEGGYISMFYQTRIVVPLSTPKSMSMLGFVSACNDFSVRLLRDTTHISQSALPQ | D | 1.D | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 1.F | true | false | 342.194336 | false | 3 | 1 |
1piv__4__5.A_5.E_6.E__6.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | ISEV | A | 5.A | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 6.A | true | false | 430.242737 | false | 3 | 1 |
1piv__4__5.A_5.E_6.E__6.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GAQVSSQKVGAHENSNRAYGGSTINYTTINYYKDSASNAASKQDYSQDPSKFTEPLKDVLIKTAPALN | E | 5.E | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 6.A | true | false | 430.242737 | false | 3 | 1 |
1piv__4__2.B_2.D__2.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | QGIEDLISEVAQGALTLSLPKQQDSLPDTKASGPAHSKEVPALTAVETGATNPLAPSDTVQTRHVVQRRSRSESTIESFFARGACVAIIEVDNEQPTTRAQKLFAMWRITYKDTVQLRRKLEFFTYSRFDMEFTFVVTANFTNANNGHALNQVYQIMYIPPGAPTPKSWDDYTWQTSSNPSIFYTYGAAPARISVPYVGLANAYSHFYDGFAKVPLKTDANDQIGDSLYSAMTVDDFGVLAVRVVNDHNPTKVTSKVRIYMKPKHVRVWCPRPPRAVPYYGPGVDYRNNLDPLSEKGLTTY | B | 2.B | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 2.F | true | false | 342.194336 | false | 2 | 1 |
1piv__4__2.B_2.D__2.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GLPVLNTPGSNQYLTSDNHQSPCAIPEFDVTPPIDIPGEVKNMMELAEIDTMIPLNLESTKRNTMDMYRVTLSDSADLSQPILCLSLSPAFDPRLSHTMLGEVLNYYTHWAGSLKFTFLFCGSMMATGKILVAYAPPGAQPPTSRKEAMLGTHVIWDLGLQSSCTMVVPWISNVTYRQTTQDSFTEGGYISMFYQTRIVVPLSTPKSMSMLGFVSACNDFSVRLLRDTTHISQSALPQ | D | 2.D | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 2.F | true | false | 342.194336 | false | 2 | 1 |
1piv__4__5.B_5.D_6.D__5.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | QGIEDLISEVAQGALTLSLPKQQDSLPDTKASGPAHSKEVPALTAVETGATNPLAPSDTVQTRHVVQRRSRSESTIESFFARGACVAIIEVDNEQPTTRAQKLFAMWRITYKDTVQLRRKLEFFTYSRFDMEFTFVVTANFTNANNGHALNQVYQIMYIPPGAPTPKSWDDYTWQTSSNPSIFYTYGAAPARISVPYVGLANAYSHFYDGFAKVPLKTDANDQIGDSLYSAMTVDDFGVLAVRVVNDHNPTKVTSKVRIYMKPKHVRVWCPRPPRAVPYYGPGVDYRNNLDPLSEKGLTTY | B | 5.B | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 5.F | true | false | 342.194336 | false | 3 | 1 |
1piv__4__5.B_5.D_6.D__5.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GLPVLNTPGSNQYLTSDNHQSPCAIPEFDVTPPIDIPGEVKNMMELAEIDTMIPLNLESTKRNTMDMYRVTLSDSADLSQPILCLSLSPAFDPRLSHTMLGEVLNYYTHWAGSLKFTFLFCGSMMATGKILVAYAPPGAQPPTSRKEAMLGTHVIWDLGLQSSCTMVVPWISNVTYRQTTQDSFTEGGYISMFYQTRIVVPLSTPKSMSMLGFVSACNDFSVRLLRDTTHISQSALPQ | D | 5.D | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 5.F | true | false | 342.194336 | false | 3 | 1 |
1piv__4__3.E_4.A_4.E__3.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GAQVSSQKVGAHENSNRAYGGSTINYTTINYYKDSASNAASKQDYSQDPSKFTEPLKDVLIKTAPALN | E | 3.E | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 3.A | true | false | 430.242737 | false | 3 | 1 |
1piv__4__3.E_4.A_4.E__3.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | ISEV | A | 4.A | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 3.A | true | false | 430.242737 | false | 3 | 1 |
1piv__4__3.B_3.D__3.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | QGIEDLISEVAQGALTLSLPKQQDSLPDTKASGPAHSKEVPALTAVETGATNPLAPSDTVQTRHVVQRRSRSESTIESFFARGACVAIIEVDNEQPTTRAQKLFAMWRITYKDTVQLRRKLEFFTYSRFDMEFTFVVTANFTNANNGHALNQVYQIMYIPPGAPTPKSWDDYTWQTSSNPSIFYTYGAAPARISVPYVGLANAYSHFYDGFAKVPLKTDANDQIGDSLYSAMTVDDFGVLAVRVVNDHNPTKVTSKVRIYMKPKHVRVWCPRPPRAVPYYGPGVDYRNNLDPLSEKGLTTY | B | 3.B | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 3.F | true | false | 342.194336 | false | 2 | 1 |
1piv__4__3.B_3.D__3.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GLPVLNTPGSNQYLTSDNHQSPCAIPEFDVTPPIDIPGEVKNMMELAEIDTMIPLNLESTKRNTMDMYRVTLSDSADLSQPILCLSLSPAFDPRLSHTMLGEVLNYYTHWAGSLKFTFLFCGSMMATGKILVAYAPPGAQPPTSRKEAMLGTHVIWDLGLQSSCTMVVPWISNVTYRQTTQDSFTEGGYISMFYQTRIVVPLSTPKSMSMLGFVSACNDFSVRLLRDTTHISQSALPQ | D | 3.D | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 3.F | true | false | 342.194336 | false | 2 | 1 |
1piv__4__5.E_6.A__5.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GAQVSSQKVGAHENSNRAYGGSTINYTTINYYKDSASNAASKQDYSQDPSKFTEPLKDVLIKTAPALN | E | 5.E | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 5.A | true | false | 430.242737 | false | 2 | 1 |
1piv__4__5.E_6.A__5.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | ISEV | A | 6.A | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 5.A | true | false | 430.242737 | false | 2 | 1 |
1piv__4__3.D_4.B_4.D__4.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GLPVLNTPGSNQYLTSDNHQSPCAIPEFDVTPPIDIPGEVKNMMELAEIDTMIPLNLESTKRNTMDMYRVTLSDSADLSQPILCLSLSPAFDPRLSHTMLGEVLNYYTHWAGSLKFTFLFCGSMMATGKILVAYAPPGAQPPTSRKEAMLGTHVIWDLGLQSSCTMVVPWISNVTYRQTTQDSFTEGGYISMFYQTRIVVPLSTPKSMSMLGFVSACNDFSVRLLRDTTHISQSALPQ | D | 3.D | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 4.F | true | false | 342.194336 | false | 3 | 1 |
1piv__4__3.D_4.B_4.D__4.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | QGIEDLISEVAQGALTLSLPKQQDSLPDTKASGPAHSKEVPALTAVETGATNPLAPSDTVQTRHVVQRRSRSESTIESFFARGACVAIIEVDNEQPTTRAQKLFAMWRITYKDTVQLRRKLEFFTYSRFDMEFTFVVTANFTNANNGHALNQVYQIMYIPPGAPTPKSWDDYTWQTSSNPSIFYTYGAAPARISVPYVGLANAYSHFYDGFAKVPLKTDANDQIGDSLYSAMTVDDFGVLAVRVVNDHNPTKVTSKVRIYMKPKHVRVWCPRPPRAVPYYGPGVDYRNNLDPLSEKGLTTY | B | 4.B | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 4.F | true | false | 342.194336 | false | 3 | 1 |
1piv__5__1.B_1.D__1.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | QGIEDLISEVAQGALTLSLPKQQDSLPDTKASGPAHSKEVPALTAVETGATNPLAPSDTVQTRHVVQRRSRSESTIESFFARGACVAIIEVDNEQPTTRAQKLFAMWRITYKDTVQLRRKLEFFTYSRFDMEFTFVVTANFTNANNGHALNQVYQIMYIPPGAPTPKSWDDYTWQTSSNPSIFYTYGAAPARISVPYVGLANAYSHFYDGFAKVPLKTDANDQIGDSLYSAMTVDDFGVLAVRVVNDHNPTKVTSKVRIYMKPKHVRVWCPRPPRAVPYYGPGVDYRNNLDPLSEKGLTTY | B | 1.B | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 1.F | true | false | 342.194336 | false | 2 | 1 |
1piv__5__1.B_1.D__1.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GLPVLNTPGSNQYLTSDNHQSPCAIPEFDVTPPIDIPGEVKNMMELAEIDTMIPLNLESTKRNTMDMYRVTLSDSADLSQPILCLSLSPAFDPRLSHTMLGEVLNYYTHWAGSLKFTFLFCGSMMATGKILVAYAPPGAQPPTSRKEAMLGTHVIWDLGLQSSCTMVVPWISNVTYRQTTQDSFTEGGYISMFYQTRIVVPLSTPKSMSMLGFVSACNDFSVRLLRDTTHISQSALPQ | D | 1.D | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 1.F | true | false | 342.194336 | false | 2 | 1 |
1piv__4__3.A_4.E__4.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | ISEV | A | 3.A | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 4.A | true | false | 430.242737 | false | 2 | 1 |
1piv__4__3.A_4.E__4.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GAQVSSQKVGAHENSNRAYGGSTINYTTINYYKDSASNAASKQDYSQDPSKFTEPLKDVLIKTAPALN | E | 4.E | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 4.A | true | false | 430.242737 | false | 2 | 1 |
1piv__6__1.A_4.A_4.E_5.E__5.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | ISEV | A | 1.A | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 5.A | true | false | 430.242737 | false | 4 | 1 |
1piv__6__1.A_4.A_4.E_5.E__5.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GAQVSSQKVGAHENSNRAYGGSTINYTTINYYKDSASNAASKQDYSQDPSKFTEPLKDVLIKTAPALN | E | 4.E | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 5.A | true | false | 430.242737 | false | 4 | 1 |
1piv__6__1.E_2.A_5.A_5.E__1.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GAQVSSQKVGAHENSNRAYGGSTINYTTINYYKDSASNAASKQDYSQDPSKFTEPLKDVLIKTAPALN | E | 1.E | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 1.A | true | false | 430.242737 | false | 4 | 1 |
1piv__6__1.E_2.A_5.A_5.E__1.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | ISEV | A | 2.A | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 1.A | true | false | 430.242737 | false | 4 | 1 |
1piv__6__1.D_5.B_5.D__5.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GLPVLNTPGSNQYLTSDNHQSPCAIPEFDVTPPIDIPGEVKNMMELAEIDTMIPLNLESTKRNTMDMYRVTLSDSADLSQPILCLSLSPAFDPRLSHTMLGEVLNYYTHWAGSLKFTFLFCGSMMATGKILVAYAPPGAQPPTSRKEAMLGTHVIWDLGLQSSCTMVVPWISNVTYRQTTQDSFTEGGYISMFYQTRIVVPLSTPKSMSMLGFVSACNDFSVRLLRDTTHISQSALPQ | D | 1.D | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 5.F | true | false | 342.194336 | false | 3 | 1 |
1piv__6__1.D_5.B_5.D__5.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | QGIEDLISEVAQGALTLSLPKQQDSLPDTKASGPAHSKEVPALTAVETGATNPLAPSDTVQTRHVVQRRSRSESTIESFFARGACVAIIEVDNEQPTTRAQKLFAMWRITYKDTVQLRRKLEFFTYSRFDMEFTFVVTANFTNANNGHALNQVYQIMYIPPGAPTPKSWDDYTWQTSSNPSIFYTYGAAPARISVPYVGLANAYSHFYDGFAKVPLKTDANDQIGDSLYSAMTVDDFGVLAVRVVNDHNPTKVTSKVRIYMKPKHVRVWCPRPPRAVPYYGPGVDYRNNLDPLSEKGLTTY | B | 5.B | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 5.F | true | false | 342.194336 | false | 3 | 1 |
1piv__4__6.B_6.D__6.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | QGIEDLISEVAQGALTLSLPKQQDSLPDTKASGPAHSKEVPALTAVETGATNPLAPSDTVQTRHVVQRRSRSESTIESFFARGACVAIIEVDNEQPTTRAQKLFAMWRITYKDTVQLRRKLEFFTYSRFDMEFTFVVTANFTNANNGHALNQVYQIMYIPPGAPTPKSWDDYTWQTSSNPSIFYTYGAAPARISVPYVGLANAYSHFYDGFAKVPLKTDANDQIGDSLYSAMTVDDFGVLAVRVVNDHNPTKVTSKVRIYMKPKHVRVWCPRPPRAVPYYGPGVDYRNNLDPLSEKGLTTY | B | 6.B | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 6.F | true | false | 342.194336 | false | 2 | 1 |
1piv__4__6.B_6.D__6.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GLPVLNTPGSNQYLTSDNHQSPCAIPEFDVTPPIDIPGEVKNMMELAEIDTMIPLNLESTKRNTMDMYRVTLSDSADLSQPILCLSLSPAFDPRLSHTMLGEVLNYYTHWAGSLKFTFLFCGSMMATGKILVAYAPPGAQPPTSRKEAMLGTHVIWDLGLQSSCTMVVPWISNVTYRQTTQDSFTEGGYISMFYQTRIVVPLSTPKSMSMLGFVSACNDFSVRLLRDTTHISQSALPQ | D | 6.D | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 6.F | true | false | 342.194336 | false | 2 | 1 |
1piv__6__11.A_11.E_12.E_13.A__12.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | ISEV | A | 11.A | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 12.A | true | false | 430.242737 | false | 4 | 1 |
1piv__6__11.A_11.E_12.E_13.A__12.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GAQVSSQKVGAHENSNRAYGGSTINYTTINYYKDSASNAASKQDYSQDPSKFTEPLKDVLIKTAPALN | E | 11.E | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 12.A | true | false | 430.242737 | false | 4 | 1 |
1piv__6__10.A_10.E_6.E_7.A__6.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | ISEV | A | 10.A | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 6.A | true | false | 430.242737 | false | 4 | 1 |
1piv__6__10.A_10.E_6.E_7.A__6.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GAQVSSQKVGAHENSNRAYGGSTINYTTINYYKDSASNAASKQDYSQDPSKFTEPLKDVLIKTAPALN | E | 10.E | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 6.A | true | false | 430.242737 | false | 4 | 1 |
1piv__6__10.E_6.A_9.A_9.E__10.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GAQVSSQKVGAHENSNRAYGGSTINYTTINYYKDSASNAASKQDYSQDPSKFTEPLKDVLIKTAPALN | E | 10.E | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 10.A | true | false | 430.242737 | false | 4 | 1 |
1piv__6__10.E_6.A_9.A_9.E__10.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | ISEV | A | 6.A | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 10.A | true | false | 430.242737 | false | 4 | 1 |
1piv__5__1.E__1.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GAQVSSQKVGAHENSNRAYGGSTINYTTINYYKDSASNAASKQDYSQDPSKFTEPLKDVLIKTAPALN | E | 1.E | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 1.A | true | false | 430.242737 | false | 1 | 1 |
1piv__6__10.A_8.A_8.E_9.E__9.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | ISEV | A | 10.A | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 9.A | true | false | 430.242737 | false | 4 | 1 |
1piv__6__10.A_8.A_8.E_9.E__9.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GAQVSSQKVGAHENSNRAYGGSTINYTTINYYKDSASNAASKQDYSQDPSKFTEPLKDVLIKTAPALN | E | 8.E | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 9.A | true | false | 430.242737 | false | 4 | 1 |
1piv__6__10.D_9.B_9.D__9.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GLPVLNTPGSNQYLTSDNHQSPCAIPEFDVTPPIDIPGEVKNMMELAEIDTMIPLNLESTKRNTMDMYRVTLSDSADLSQPILCLSLSPAFDPRLSHTMLGEVLNYYTHWAGSLKFTFLFCGSMMATGKILVAYAPPGAQPPTSRKEAMLGTHVIWDLGLQSSCTMVVPWISNVTYRQTTQDSFTEGGYISMFYQTRIVVPLSTPKSMSMLGFVSACNDFSVRLLRDTTHISQSALPQ | D | 10.D | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 9.F | true | false | 342.194336 | false | 3 | 1 |
1piv__6__10.D_9.B_9.D__9.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | QGIEDLISEVAQGALTLSLPKQQDSLPDTKASGPAHSKEVPALTAVETGATNPLAPSDTVQTRHVVQRRSRSESTIESFFARGACVAIIEVDNEQPTTRAQKLFAMWRITYKDTVQLRRKLEFFTYSRFDMEFTFVVTANFTNANNGHALNQVYQIMYIPPGAPTPKSWDDYTWQTSSNPSIFYTYGAAPARISVPYVGLANAYSHFYDGFAKVPLKTDANDQIGDSLYSAMTVDDFGVLAVRVVNDHNPTKVTSKVRIYMKPKHVRVWCPRPPRAVPYYGPGVDYRNNLDPLSEKGLTTY | B | 9.B | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 9.F | true | false | 342.194336 | false | 3 | 1 |
1piv__6__1.A_1.E_2.E_3.A__2.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | ISEV | A | 1.A | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 2.A | true | false | 430.242737 | false | 4 | 1 |
1piv__6__1.A_1.E_2.E_3.A__2.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GAQVSSQKVGAHENSNRAYGGSTINYTTINYYKDSASNAASKQDYSQDPSKFTEPLKDVLIKTAPALN | E | 1.E | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 2.A | true | false | 430.242737 | false | 4 | 1 |
1piv__6__11.B_11.D_12.D__11.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | QGIEDLISEVAQGALTLSLPKQQDSLPDTKASGPAHSKEVPALTAVETGATNPLAPSDTVQTRHVVQRRSRSESTIESFFARGACVAIIEVDNEQPTTRAQKLFAMWRITYKDTVQLRRKLEFFTYSRFDMEFTFVVTANFTNANNGHALNQVYQIMYIPPGAPTPKSWDDYTWQTSSNPSIFYTYGAAPARISVPYVGLANAYSHFYDGFAKVPLKTDANDQIGDSLYSAMTVDDFGVLAVRVVNDHNPTKVTSKVRIYMKPKHVRVWCPRPPRAVPYYGPGVDYRNNLDPLSEKGLTTY | B | 11.B | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 11.F | true | false | 342.194336 | false | 3 | 1 |
1piv__6__11.B_11.D_12.D__11.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GLPVLNTPGSNQYLTSDNHQSPCAIPEFDVTPPIDIPGEVKNMMELAEIDTMIPLNLESTKRNTMDMYRVTLSDSADLSQPILCLSLSPAFDPRLSHTMLGEVLNYYTHWAGSLKFTFLFCGSMMATGKILVAYAPPGAQPPTSRKEAMLGTHVIWDLGLQSSCTMVVPWISNVTYRQTTQDSFTEGGYISMFYQTRIVVPLSTPKSMSMLGFVSACNDFSVRLLRDTTHISQSALPQ | D | 11.D | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 11.F | true | false | 342.194336 | false | 3 | 1 |
1piv__6__11.E_12.A_15.A_15.E__11.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GAQVSSQKVGAHENSNRAYGGSTINYTTINYYKDSASNAASKQDYSQDPSKFTEPLKDVLIKTAPALN | E | 11.E | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 11.A | true | false | 430.242737 | false | 4 | 1 |
1piv__6__11.E_12.A_15.A_15.E__11.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | ISEV | A | 12.A | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 11.A | true | false | 430.242737 | false | 4 | 1 |
1piv__6__10.B_10.D_6.D__10.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | QGIEDLISEVAQGALTLSLPKQQDSLPDTKASGPAHSKEVPALTAVETGATNPLAPSDTVQTRHVVQRRSRSESTIESFFARGACVAIIEVDNEQPTTRAQKLFAMWRITYKDTVQLRRKLEFFTYSRFDMEFTFVVTANFTNANNGHALNQVYQIMYIPPGAPTPKSWDDYTWQTSSNPSIFYTYGAAPARISVPYVGLANAYSHFYDGFAKVPLKTDANDQIGDSLYSAMTVDDFGVLAVRVVNDHNPTKVTSKVRIYMKPKHVRVWCPRPPRAVPYYGPGVDYRNNLDPLSEKGLTTY | B | 10.B | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 10.F | true | false | 342.194336 | false | 3 | 1 |
1piv__6__10.B_10.D_6.D__10.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GLPVLNTPGSNQYLTSDNHQSPCAIPEFDVTPPIDIPGEVKNMMELAEIDTMIPLNLESTKRNTMDMYRVTLSDSADLSQPILCLSLSPAFDPRLSHTMLGEVLNYYTHWAGSLKFTFLFCGSMMATGKILVAYAPPGAQPPTSRKEAMLGTHVIWDLGLQSSCTMVVPWISNVTYRQTTQDSFTEGGYISMFYQTRIVVPLSTPKSMSMLGFVSACNDFSVRLLRDTTHISQSALPQ | D | 10.D | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 10.F | true | false | 342.194336 | false | 3 | 1 |
1piv__6__12.A_12.E_13.E_14.A__13.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | ISEV | A | 12.A | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 13.A | true | false | 430.242737 | false | 4 | 1 |
1piv__6__12.A_12.E_13.E_14.A__13.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GAQVSSQKVGAHENSNRAYGGSTINYTTINYYKDSASNAASKQDYSQDPSKFTEPLKDVLIKTAPALN | E | 12.E | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 13.A | true | false | 430.242737 | false | 4 | 1 |
1piv__6__11.A_14.A_14.E_15.E__15.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | ISEV | A | 11.A | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 15.A | true | false | 430.242737 | false | 4 | 1 |
1piv__6__11.A_14.A_14.E_15.E__15.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GAQVSSQKVGAHENSNRAYGGSTINYTTINYYKDSASNAASKQDYSQDPSKFTEPLKDVLIKTAPALN | E | 14.E | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 15.A | true | false | 430.242737 | false | 4 | 1 |
1piv__6__11.D_15.B_15.D__15.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GLPVLNTPGSNQYLTSDNHQSPCAIPEFDVTPPIDIPGEVKNMMELAEIDTMIPLNLESTKRNTMDMYRVTLSDSADLSQPILCLSLSPAFDPRLSHTMLGEVLNYYTHWAGSLKFTFLFCGSMMATGKILVAYAPPGAQPPTSRKEAMLGTHVIWDLGLQSSCTMVVPWISNVTYRQTTQDSFTEGGYISMFYQTRIVVPLSTPKSMSMLGFVSACNDFSVRLLRDTTHISQSALPQ | D | 11.D | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 15.F | true | false | 342.194336 | false | 3 | 1 |
1piv__6__11.D_15.B_15.D__15.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | QGIEDLISEVAQGALTLSLPKQQDSLPDTKASGPAHSKEVPALTAVETGATNPLAPSDTVQTRHVVQRRSRSESTIESFFARGACVAIIEVDNEQPTTRAQKLFAMWRITYKDTVQLRRKLEFFTYSRFDMEFTFVVTANFTNANNGHALNQVYQIMYIPPGAPTPKSWDDYTWQTSSNPSIFYTYGAAPARISVPYVGLANAYSHFYDGFAKVPLKTDANDQIGDSLYSAMTVDDFGVLAVRVVNDHNPTKVTSKVRIYMKPKHVRVWCPRPPRAVPYYGPGVDYRNNLDPLSEKGLTTY | B | 15.B | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 15.F | true | false | 342.194336 | false | 3 | 1 |
1piv__6__1.B_1.D_2.D__1.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | QGIEDLISEVAQGALTLSLPKQQDSLPDTKASGPAHSKEVPALTAVETGATNPLAPSDTVQTRHVVQRRSRSESTIESFFARGACVAIIEVDNEQPTTRAQKLFAMWRITYKDTVQLRRKLEFFTYSRFDMEFTFVVTANFTNANNGHALNQVYQIMYIPPGAPTPKSWDDYTWQTSSNPSIFYTYGAAPARISVPYVGLANAYSHFYDGFAKVPLKTDANDQIGDSLYSAMTVDDFGVLAVRVVNDHNPTKVTSKVRIYMKPKHVRVWCPRPPRAVPYYGPGVDYRNNLDPLSEKGLTTY | B | 1.B | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 1.F | true | false | 342.194336 | false | 3 | 1 |
1piv__6__1.B_1.D_2.D__1.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GLPVLNTPGSNQYLTSDNHQSPCAIPEFDVTPPIDIPGEVKNMMELAEIDTMIPLNLESTKRNTMDMYRVTLSDSADLSQPILCLSLSPAFDPRLSHTMLGEVLNYYTHWAGSLKFTFLFCGSMMATGKILVAYAPPGAQPPTSRKEAMLGTHVIWDLGLQSSCTMVVPWISNVTYRQTTQDSFTEGGYISMFYQTRIVVPLSTPKSMSMLGFVSACNDFSVRLLRDTTHISQSALPQ | D | 1.D | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 1.F | true | false | 342.194336 | false | 3 | 1 |
1piv__6__2.A_2.E_3.E_4.A__3.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | ISEV | A | 2.A | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 3.A | true | false | 430.242737 | false | 4 | 1 |
1piv__6__2.A_2.E_3.E_4.A__3.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GAQVSSQKVGAHENSNRAYGGSTINYTTINYYKDSASNAASKQDYSQDPSKFTEPLKDVLIKTAPALN | E | 2.E | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 3.A | true | false | 430.242737 | false | 4 | 1 |
1piv__6__2.B_2.D_3.D__2.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | QGIEDLISEVAQGALTLSLPKQQDSLPDTKASGPAHSKEVPALTAVETGATNPLAPSDTVQTRHVVQRRSRSESTIESFFARGACVAIIEVDNEQPTTRAQKLFAMWRITYKDTVQLRRKLEFFTYSRFDMEFTFVVTANFTNANNGHALNQVYQIMYIPPGAPTPKSWDDYTWQTSSNPSIFYTYGAAPARISVPYVGLANAYSHFYDGFAKVPLKTDANDQIGDSLYSAMTVDDFGVLAVRVVNDHNPTKVTSKVRIYMKPKHVRVWCPRPPRAVPYYGPGVDYRNNLDPLSEKGLTTY | B | 2.B | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 2.F | true | false | 342.194336 | false | 3 | 1 |
1piv__6__2.B_2.D_3.D__2.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GLPVLNTPGSNQYLTSDNHQSPCAIPEFDVTPPIDIPGEVKNMMELAEIDTMIPLNLESTKRNTMDMYRVTLSDSADLSQPILCLSLSPAFDPRLSHTMLGEVLNYYTHWAGSLKFTFLFCGSMMATGKILVAYAPPGAQPPTSRKEAMLGTHVIWDLGLQSSCTMVVPWISNVTYRQTTQDSFTEGGYISMFYQTRIVVPLSTPKSMSMLGFVSACNDFSVRLLRDTTHISQSALPQ | D | 2.D | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 2.F | true | false | 342.194336 | false | 3 | 1 |
1piv__6__13.B_13.D_14.D__13.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | QGIEDLISEVAQGALTLSLPKQQDSLPDTKASGPAHSKEVPALTAVETGATNPLAPSDTVQTRHVVQRRSRSESTIESFFARGACVAIIEVDNEQPTTRAQKLFAMWRITYKDTVQLRRKLEFFTYSRFDMEFTFVVTANFTNANNGHALNQVYQIMYIPPGAPTPKSWDDYTWQTSSNPSIFYTYGAAPARISVPYVGLANAYSHFYDGFAKVPLKTDANDQIGDSLYSAMTVDDFGVLAVRVVNDHNPTKVTSKVRIYMKPKHVRVWCPRPPRAVPYYGPGVDYRNNLDPLSEKGLTTY | B | 13.B | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 13.F | true | false | 342.194336 | false | 3 | 1 |
1piv__6__13.B_13.D_14.D__13.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GLPVLNTPGSNQYLTSDNHQSPCAIPEFDVTPPIDIPGEVKNMMELAEIDTMIPLNLESTKRNTMDMYRVTLSDSADLSQPILCLSLSPAFDPRLSHTMLGEVLNYYTHWAGSLKFTFLFCGSMMATGKILVAYAPPGAQPPTSRKEAMLGTHVIWDLGLQSSCTMVVPWISNVTYRQTTQDSFTEGGYISMFYQTRIVVPLSTPKSMSMLGFVSACNDFSVRLLRDTTHISQSALPQ | D | 13.D | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 13.F | true | false | 342.194336 | false | 3 | 1 |
1piv__6__13.A_13.E_14.E_15.A__14.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | ISEV | A | 13.A | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 14.A | true | false | 430.242737 | false | 4 | 1 |
1piv__6__13.A_13.E_14.E_15.A__14.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GAQVSSQKVGAHENSNRAYGGSTINYTTINYYKDSASNAASKQDYSQDPSKFTEPLKDVLIKTAPALN | E | 13.E | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 14.A | true | false | 430.242737 | false | 4 | 1 |
1piv__6__12.B_12.D_13.D__12.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | QGIEDLISEVAQGALTLSLPKQQDSLPDTKASGPAHSKEVPALTAVETGATNPLAPSDTVQTRHVVQRRSRSESTIESFFARGACVAIIEVDNEQPTTRAQKLFAMWRITYKDTVQLRRKLEFFTYSRFDMEFTFVVTANFTNANNGHALNQVYQIMYIPPGAPTPKSWDDYTWQTSSNPSIFYTYGAAPARISVPYVGLANAYSHFYDGFAKVPLKTDANDQIGDSLYSAMTVDDFGVLAVRVVNDHNPTKVTSKVRIYMKPKHVRVWCPRPPRAVPYYGPGVDYRNNLDPLSEKGLTTY | B | 12.B | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 12.F | true | false | 342.194336 | false | 3 | 1 |
1piv__6__12.B_12.D_13.D__12.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GLPVLNTPGSNQYLTSDNHQSPCAIPEFDVTPPIDIPGEVKNMMELAEIDTMIPLNLESTKRNTMDMYRVTLSDSADLSQPILCLSLSPAFDPRLSHTMLGEVLNYYTHWAGSLKFTFLFCGSMMATGKILVAYAPPGAQPPTSRKEAMLGTHVIWDLGLQSSCTMVVPWISNVTYRQTTQDSFTEGGYISMFYQTRIVVPLSTPKSMSMLGFVSACNDFSVRLLRDTTHISQSALPQ | D | 12.D | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 12.F | true | false | 342.194336 | false | 3 | 1 |
1piv__6__14.B_14.D_15.D__14.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | QGIEDLISEVAQGALTLSLPKQQDSLPDTKASGPAHSKEVPALTAVETGATNPLAPSDTVQTRHVVQRRSRSESTIESFFARGACVAIIEVDNEQPTTRAQKLFAMWRITYKDTVQLRRKLEFFTYSRFDMEFTFVVTANFTNANNGHALNQVYQIMYIPPGAPTPKSWDDYTWQTSSNPSIFYTYGAAPARISVPYVGLANAYSHFYDGFAKVPLKTDANDQIGDSLYSAMTVDDFGVLAVRVVNDHNPTKVTSKVRIYMKPKHVRVWCPRPPRAVPYYGPGVDYRNNLDPLSEKGLTTY | B | 14.B | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 14.F | true | false | 342.194336 | false | 3 | 1 |
1piv__6__14.B_14.D_15.D__14.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GLPVLNTPGSNQYLTSDNHQSPCAIPEFDVTPPIDIPGEVKNMMELAEIDTMIPLNLESTKRNTMDMYRVTLSDSADLSQPILCLSLSPAFDPRLSHTMLGEVLNYYTHWAGSLKFTFLFCGSMMATGKILVAYAPPGAQPPTSRKEAMLGTHVIWDLGLQSSCTMVVPWISNVTYRQTTQDSFTEGGYISMFYQTRIVVPLSTPKSMSMLGFVSACNDFSVRLLRDTTHISQSALPQ | D | 14.D | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 14.F | true | false | 342.194336 | false | 3 | 1 |
1piv__6__3.A_3.E_4.E_5.A__4.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | ISEV | A | 3.A | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 4.A | true | false | 430.242737 | false | 4 | 1 |
1piv__6__3.A_3.E_4.E_5.A__4.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GAQVSSQKVGAHENSNRAYGGSTINYTTINYYKDSASNAASKQDYSQDPSKFTEPLKDVLIKTAPALN | E | 3.E | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 4.A | true | false | 430.242737 | false | 4 | 1 |
1piv__6__3.B_3.D_4.D__3.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | QGIEDLISEVAQGALTLSLPKQQDSLPDTKASGPAHSKEVPALTAVETGATNPLAPSDTVQTRHVVQRRSRSESTIESFFARGACVAIIEVDNEQPTTRAQKLFAMWRITYKDTVQLRRKLEFFTYSRFDMEFTFVVTANFTNANNGHALNQVYQIMYIPPGAPTPKSWDDYTWQTSSNPSIFYTYGAAPARISVPYVGLANAYSHFYDGFAKVPLKTDANDQIGDSLYSAMTVDDFGVLAVRVVNDHNPTKVTSKVRIYMKPKHVRVWCPRPPRAVPYYGPGVDYRNNLDPLSEKGLTTY | B | 3.B | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 3.F | true | false | 342.194336 | false | 3 | 1 |
1piv__6__3.B_3.D_4.D__3.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GLPVLNTPGSNQYLTSDNHQSPCAIPEFDVTPPIDIPGEVKNMMELAEIDTMIPLNLESTKRNTMDMYRVTLSDSADLSQPILCLSLSPAFDPRLSHTMLGEVLNYYTHWAGSLKFTFLFCGSMMATGKILVAYAPPGAQPPTSRKEAMLGTHVIWDLGLQSSCTMVVPWISNVTYRQTTQDSFTEGGYISMFYQTRIVVPLSTPKSMSMLGFVSACNDFSVRLLRDTTHISQSALPQ | D | 3.D | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 3.F | true | false | 342.194336 | false | 3 | 1 |
1piv__6__7.A_7.E_8.E_9.A__8.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | ISEV | A | 7.A | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 8.A | true | false | 430.242737 | false | 4 | 1 |
1piv__6__7.A_7.E_8.E_9.A__8.A | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GAQVSSQKVGAHENSNRAYGGSTINYTTINYYKDSASNAASKQDYSQDPSKFTEPLKDVLIKTAPALN | E | 7.E | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)C(C)C | ILE-SER-GLU-VAL | 8.A | true | false | 430.242737 | false | 4 | 1 |
1piv__6__6.B_6.D_7.D__6.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | QGIEDLISEVAQGALTLSLPKQQDSLPDTKASGPAHSKEVPALTAVETGATNPLAPSDTVQTRHVVQRRSRSESTIESFFARGACVAIIEVDNEQPTTRAQKLFAMWRITYKDTVQLRRKLEFFTYSRFDMEFTFVVTANFTNANNGHALNQVYQIMYIPPGAPTPKSWDDYTWQTSSNPSIFYTYGAAPARISVPYVGLANAYSHFYDGFAKVPLKTDANDQIGDSLYSAMTVDDFGVLAVRVVNDHNPTKVTSKVRIYMKPKHVRVWCPRPPRAVPYYGPGVDYRNNLDPLSEKGLTTY | B | 6.B | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 6.F | true | false | 342.194336 | false | 3 | 1 |
1piv__6__6.B_6.D_7.D__6.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GLPVLNTPGSNQYLTSDNHQSPCAIPEFDVTPPIDIPGEVKNMMELAEIDTMIPLNLESTKRNTMDMYRVTLSDSADLSQPILCLSLSPAFDPRLSHTMLGEVLNYYTHWAGSLKFTFLFCGSMMATGKILVAYAPPGAQPPTSRKEAMLGTHVIWDLGLQSSCTMVVPWISNVTYRQTTQDSFTEGGYISMFYQTRIVVPLSTPKSMSMLGFVSACNDFSVRLLRDTTHISQSALPQ | D | 6.D | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 6.F | true | false | 342.194336 | false | 3 | 1 |
1piv__6__4.B_4.D_5.D__4.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | QGIEDLISEVAQGALTLSLPKQQDSLPDTKASGPAHSKEVPALTAVETGATNPLAPSDTVQTRHVVQRRSRSESTIESFFARGACVAIIEVDNEQPTTRAQKLFAMWRITYKDTVQLRRKLEFFTYSRFDMEFTFVVTANFTNANNGHALNQVYQIMYIPPGAPTPKSWDDYTWQTSSNPSIFYTYGAAPARISVPYVGLANAYSHFYDGFAKVPLKTDANDQIGDSLYSAMTVDDFGVLAVRVVNDHNPTKVTSKVRIYMKPKHVRVWCPRPPRAVPYYGPGVDYRNNLDPLSEKGLTTY | B | 4.B | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 4.F | true | false | 342.194336 | false | 3 | 1 |
1piv__6__4.B_4.D_5.D__4.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GLPVLNTPGSNQYLTSDNHQSPCAIPEFDVTPPIDIPGEVKNMMELAEIDTMIPLNLESTKRNTMDMYRVTLSDSADLSQPILCLSLSPAFDPRLSHTMLGEVLNYYTHWAGSLKFTFLFCGSMMATGKILVAYAPPGAQPPTSRKEAMLGTHVIWDLGLQSSCTMVVPWISNVTYRQTTQDSFTEGGYISMFYQTRIVVPLSTPKSMSMLGFVSACNDFSVRLLRDTTHISQSALPQ | D | 4.D | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 4.F | true | false | 342.194336 | false | 3 | 1 |
1piv__6__7.B_7.D_8.D__7.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | QGIEDLISEVAQGALTLSLPKQQDSLPDTKASGPAHSKEVPALTAVETGATNPLAPSDTVQTRHVVQRRSRSESTIESFFARGACVAIIEVDNEQPTTRAQKLFAMWRITYKDTVQLRRKLEFFTYSRFDMEFTFVVTANFTNANNGHALNQVYQIMYIPPGAPTPKSWDDYTWQTSSNPSIFYTYGAAPARISVPYVGLANAYSHFYDGFAKVPLKTDANDQIGDSLYSAMTVDDFGVLAVRVVNDHNPTKVTSKVRIYMKPKHVRVWCPRPPRAVPYYGPGVDYRNNLDPLSEKGLTTY | B | 7.B | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 7.F | true | false | 342.194336 | false | 3 | 1 |
1piv__6__7.B_7.D_8.D__7.F | train | 1piv | X-RAY DIFFRACTION | 2.9 | true | GLPVLNTPGSNQYLTSDNHQSPCAIPEFDVTPPIDIPGEVKNMMELAEIDTMIPLNLESTKRNTMDMYRVTLSDSADLSQPILCLSLSPAFDPRLSHTMLGEVLNYYTHWAGSLKFTFLFCGSMMATGKILVAYAPPGAQPPTSRKEAMLGTHVIWDLGLQSSCTMVVPWISNVTYRQTTQDSFTEGGYISMFYQTRIVVPLSTPKSMSMLGFVSACNDFSVRLLRDTTHISQSALPQ | D | 7.D | Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1 | W71 | 7.F | true | false | 342.194336 | false | 3 | 1 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.