Spaces:
Sleeping
Sleeping
| ./generate/2p16/2_relaxed_docked.pdbqt | |
| OpenBabel04112508453D | |
| 34 38 0 0 0 0 0 0 0 0999 V2000 | |
| 4.5830 44.4340 61.4810 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6280 42.7150 60.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2950 41.2050 61.3790 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.0800 44.8190 62.4510 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.3620 42.4310 61.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4610 44.1870 63.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.6160 43.1930 62.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2510 43.3910 61.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.1460 41.9980 62.8720 C 0 0 0 0 0 2 0 0 0 0 0 0 | |
| 4.0420 41.0390 62.5180 C 0 0 0 0 0 2 0 0 0 0 0 0 | |
| 5.2750 45.1190 60.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.5380 46.6620 59.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.2290 45.8580 59.8480 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 5.4460 46.6840 59.2050 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 6.5620 45.1860 60.6170 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 4.8940 45.8360 60.0130 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 7.1630 47.3610 58.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.8200 48.1000 57.8080 C 0 0 0 0 0 1 0 0 0 0 0 0 | |
| 2.7310 44.4470 64.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.9370 44.0930 65.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.8980 45.0260 64.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5330 39.9880 60.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.8600 39.5270 60.7060 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 3.5490 39.3330 59.8850 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 6.1710 38.4260 59.7370 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 3.8980 38.2960 58.9290 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 5.2010 37.9090 58.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.5340 37.0830 58.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.3320 35.9320 58.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.0360 37.3230 56.8240 C 0 0 0 0 0 2 0 0 0 0 0 0 | |
| 4.9130 35.7110 59.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.6910 34.8500 57.5350 C 0 0 0 0 0 2 0 0 0 0 0 0 | |
| 6.6090 36.3500 56.1820 C 0 0 0 0 0 2 0 0 0 0 0 0 | |
| 5.7940 35.2610 56.2760 C 0 0 0 0 0 2 0 0 0 0 0 0 | |
| 1 8 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 | |
| 4 6 2 0 0 0 0 | |
| 5 3 1 0 0 0 0 | |
| 5 8 1 0 0 0 0 | |
| 6 19 1 0 0 0 0 | |
| 7 9 1 0 0 0 0 | |
| 7 6 1 0 0 0 0 | |
| 8 7 2 0 0 0 0 | |
| 10 9 1 0 0 0 0 | |
| 11 1 1 0 0 0 0 | |
| 12 14 2 0 0 0 0 | |
| 12 13 1 0 0 0 0 | |
| 13 15 2 0 0 0 0 | |
| 14 16 1 0 0 0 0 | |
| 15 11 1 0 0 0 0 | |
| 16 11 2 0 0 0 0 | |
| 17 12 1 0 0 0 0 | |
| 18 17 1 0 0 0 0 | |
| 19 20 2 0 0 0 0 | |
| 21 19 1 0 0 0 0 | |
| 22 3 1 0 0 0 0 | |
| 23 22 1 0 0 0 0 | |
| 24 22 2 0 0 0 0 | |
| 25 23 2 0 0 0 0 | |
| 26 24 1 0 0 0 0 | |
| 27 26 2 0 0 0 0 | |
| 27 25 1 0 0 0 0 | |
| 28 29 1 0 0 0 0 | |
| 28 27 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 34 1 0 0 0 0 | |
| 33 30 1 0 0 0 0 | |
| 34 32 1 0 0 0 0 | |
| M END | |
| > <MODEL> | |
| 1 | |
| > <REMARK> | |
| VINA RESULT: -6.990 0.000 0.000 | |
| INTER + INTRA: -9.631 | |
| INTER: -9.087 | |
| INTRA: -0.544 | |
| UNBOUND: -0.597 | |
| Flexibility Score: inf | |
| Active torsions [ 5 ] -> [ 5 ] | |
| > <TORSDO> | |
| F 5 | |
| $$$$ | |