Spaces:
Sleeping
Sleeping
| ./generate/2p16/3_relaxed_docked.pdbqt | |
| OpenBabel04112508453D | |
| 34 38 0 0 0 0 0 0 0 0999 V2000 | |
| 5.3550 44.5820 60.6970 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.4670 42.3560 60.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.4750 42.0710 58.6020 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.7360 45.5460 60.1280 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.5570 42.7900 59.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.1930 45.5190 59.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.0750 44.3630 58.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.6090 43.9060 59.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.4220 43.7230 57.8250 C 0 0 0 0 0 2 0 0 0 0 0 0 | |
| 5.5140 42.7190 57.6240 C 0 0 0 0 0 2 0 0 0 0 0 0 | |
| 4.8440 44.5670 61.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.9390 44.6930 64.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0790 44.6660 63.2280 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 5.0120 44.6190 63.9780 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 3.5840 44.6850 62.1200 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 5.3870 44.5290 62.7230 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 3.4740 44.8520 65.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3270 45.8450 65.6550 C 0 0 0 0 0 1 0 0 0 0 0 0 | |
| 6.7780 46.4690 58.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.3660 46.9280 57.5070 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.7430 46.6890 58.6680 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.2510 40.7210 58.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.2350 39.8050 58.7540 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 4.2270 40.2400 57.4160 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 6.1870 38.4200 58.1990 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 4.2270 38.9110 56.8670 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 5.2090 38.0730 57.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.2530 36.9640 56.7760 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6470 36.1220 57.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.8840 36.6360 55.6320 C 0 0 0 0 0 2 0 0 0 0 0 0 | |
| 4.1270 36.3760 58.3170 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6500 34.7640 56.9610 C 0 0 0 0 0 2 0 0 0 0 0 0 | |
| 6.0900 35.3420 55.3970 C 0 0 0 0 0 2 0 0 0 0 0 0 | |
| 4.9480 34.6760 55.6500 C 0 0 0 0 0 2 0 0 0 0 0 0 | |
| 1 11 1 0 0 0 0 | |
| 3 5 1 0 0 0 0 | |
| 4 1 1 0 0 0 0 | |
| 5 8 1 0 0 0 0 | |
| 5 2 2 0 0 0 0 | |
| 6 4 2 0 0 0 0 | |
| 7 6 1 0 0 0 0 | |
| 7 8 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 | |
| 10 3 1 0 0 0 0 | |
| 11 15 2 0 0 0 0 | |
| 11 16 1 0 0 0 0 | |
| 12 17 1 0 0 0 0 | |
| 13 12 2 0 0 0 0 | |
| 14 12 1 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 | |
| 19 6 1 0 0 0 0 | |
| 20 19 2 0 0 0 0 | |
| 22 3 1 0 0 0 0 | |
| 22 23 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 27 1 0 0 0 0 | |
| 28 29 1 0 0 0 0 | |
| 29 31 2 0 0 0 0 | |
| 30 28 1 0 0 0 0 | |
| 32 29 1 0 0 0 0 | |
| 33 30 1 0 0 0 0 | |
| 33 34 1 0 0 0 0 | |
| 34 32 1 0 0 0 0 | |
| M END | |
| > <MODEL> | |
| 1 | |
| > <REMARK> | |
| VINA RESULT: -8.182 0.000 0.000 | |
| INTER + INTRA: -10.735 | |
| INTER: -10.252 | |
| INTRA: -0.483 | |
| UNBOUND: -0.162 | |
| Flexibility Score: inf | |
| Active torsions [ 5 ] -> [ 5 ] | |
| > <TORSDO> | |
| F 5 | |
| $$$$ | |