Spaces:
Sleeping
Sleeping
| ./generate/2p16/1_relaxed_docked.pdbqt | |
| OpenBabel04112508453D | |
| 34 38 0 0 0 0 0 0 0 0999 V2000 | |
| 7.7050 45.5450 64.9910 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.1970 44.7220 63.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.4860 43.7030 62.5690 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.7850 45.9970 65.6140 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.2110 44.5320 63.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.7520 45.9020 65.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.9410 45.2630 64.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.0610 45.1050 64.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.0090 44.7840 63.4860 C 0 0 0 0 0 2 0 0 0 0 0 0 | |
| 5.4230 43.5690 63.0240 C 0 0 0 0 0 2 0 0 0 0 0 0 | |
| 8.8880 45.6390 65.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.3060 45.5940 65.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.8490 46.6680 65.4280 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 10.6990 44.7310 66.0470 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 9.6930 46.6000 65.1210 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 9.4490 44.8490 65.7520 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 12.4090 45.6290 65.9830 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 13.1110 44.7980 66.3400 C 0 0 0 0 0 1 0 0 0 0 0 0 | |
| 4.5670 46.3980 65.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.6440 45.9250 65.7710 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6710 47.3710 66.1430 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.7000 42.8760 61.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.6600 41.4770 61.6860 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 7.2450 43.3550 60.2290 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 7.2220 40.5970 60.6530 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 7.8170 42.4510 59.2100 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 7.8010 41.1270 59.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.3110 40.3900 58.6770 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.5820 40.0200 57.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.5860 39.9570 58.6900 C 0 0 0 0 0 2 0 0 0 0 0 0 | |
| 6.5430 40.3520 57.7700 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.0240 39.1000 56.8250 C 0 0 0 0 0 2 0 0 0 0 0 0 | |
| 9.9040 38.9410 57.9510 C 0 0 0 0 0 2 0 0 0 0 0 0 | |
| 9.3650 39.1060 56.7210 C 0 0 0 0 0 2 0 0 0 0 0 0 | |
| 1 11 1 0 0 0 0 | |
| 1 4 1 0 0 0 0 | |
| 2 5 2 0 0 0 0 | |
| 3 10 1 0 0 0 0 | |
| 3 5 1 0 0 0 0 | |
| 5 8 1 0 0 0 0 | |
| 6 4 2 0 0 0 0 | |
| 6 19 1 0 0 0 0 | |
| 7 6 1 0 0 0 0 | |
| 8 7 2 0 0 0 0 | |
| 8 1 1 0 0 0 0 | |
| 9 7 1 0 0 0 0 | |
| 10 9 1 0 0 0 0 | |
| 11 16 1 0 0 0 0 | |
| 12 17 1 0 0 0 0 | |
| 12 14 1 0 0 0 0 | |
| 13 12 2 0 0 0 0 | |
| 15 11 2 0 0 0 0 | |
| 15 13 1 0 0 0 0 | |
| 16 14 2 0 0 0 0 | |
| 17 18 1 0 0 0 0 | |
| 19 21 1 0 0 0 0 | |
| 20 19 2 0 0 0 0 | |
| 22 23 1 0 0 0 0 | |
| 22 3 1 0 0 0 0 | |
| 24 22 2 0 0 0 0 | |
| 25 23 2 0 0 0 0 | |
| 26 27 2 0 0 0 0 | |
| 26 24 1 0 0 0 0 | |
| 27 25 1 0 0 0 0 | |
| 28 30 1 0 0 0 0 | |
| 28 27 1 0 0 0 0 | |
| 29 28 1 0 0 0 0 | |
| 31 29 2 0 0 0 0 | |
| 32 29 1 0 0 0 0 | |
| 33 30 1 0 0 0 0 | |
| 34 32 1 0 0 0 0 | |
| 34 33 1 0 0 0 0 | |
| M END | |
| > <MODEL> | |
| 1 | |
| > <REMARK> | |
| VINA RESULT: -14.479 0.000 0.000 | |
| INTER + INTRA: -18.797 | |
| INTER: -18.670 | |
| INTRA: -0.127 | |
| UNBOUND: -0.086 | |
| Flexibility Score: inf | |
| Active torsions [ 5 ] -> [ 5 ] | |
| > <TORSDO> | |
| F 5 | |
| $$$$ | |