Complex | MolDock scorea | Rerank scoreb | E-interactionc | E-H-bondd | LE1 | LE3 |
---|---|---|---|---|---|---|
1 | −139.825 | −117.051 | −163.472 | −1.852 | −3.995 | −3.344 |
2 | −139.934 | −108.900 | −148.876 | −1.498 | −4.373 | −3.403 |
3 | −147.450 | −89.409 | −158.070 | −2.620 | −4.337 | −2.630 |
4 | −139.765 | −68.890 | −145.643 | −2.500 | −4.509 | −2.222 |
5 | −137.994 | −65.142 | −150.248 | −1.834 | −4.451 | −2.101 |
6 | −144.459 | −88.283 | −151.585 | −2.500 | −4.514 | −2.759 |
7 | −142.277 | −117.257 | −149.356 | −3.739 | −4.446 | −3.664 |
8 | −139.488 | −68.780 | −154.356 | −1.764 | −4.500 | −2.219 |
9 | −142.525 | −112.260 | −151.491 | −3.130 | −4.598 | −3.621 |
10 | −141.901 | −65.527 | −157.535 | −6.497 | −4.300 | −1.986 |
11 | −144.286 | −8.428 | −156.225 | −2.122 | −4.509 | −0.263 |
12 | −139.632 | −118.097 | −158.816 | −2.918 | −4.504 | −3.810 |
13 | −138.905 | −110.602 | −155.144 | −4.813 | −4.481 | −3.568 |
14 | −162.670 | −124.079 | −168.509 | −3.217 | −4.076 | −3.545 |
15 | −144.133 | −117.688 | −152.972 | −2.332 | −4.504 | −3.678 |
16 | −152.301 | −128.722 | −172.423 | −0.045 | −4.479 | −3.786 |
17 | −150.734 | −125.396 | −162.417 | −1.940 | −4.433 | −3.688 |
18 | −143.411 | −113.953 | −151.463 | −3.475 | −4.626 | −3.676 |
19 | −142.213 | −113.563 | −150.359 | −0.940 | −4.588 | −3.663 |
20 | −145.590 | −115.160 | −153.277 | −3.019 | −4.696 | −3.715 |
21 | −157.755 | −118.218 | −160.847 | −2.902 | −4.541 | −3.684 |
22 | −149.608 | −118.191 | −160.997 | −5.409 | −4.675 | −3.693 |
23 | −142.708 | −115.654 | −152.599 | −3.188 | −4.460 | −3.614 |
24 | −146.940 | −121.689 | −161.087 | −0.132 | −4.740 | −3.925 |
25 | −145.794 | −112.681 | −158.923 | −5.189 | −4.703 | −3.635 |
26 | −151.926 | −120.707 | −153.136 | −3.361 | −4.435 | −3.585 |
27 | −144.135 | −110.120 | −166.439 | −2.182 | −4.118 | −3.146 |
28 | −145.964 | −121.512 | −158.434 | −2.481 | −4.293 | −3.574 |
29 | −136.121 | −108.690 | −142.829 | −2.500 | −4.391 | −3.506 |
30 | −167.610 | −122.290 | −173.673 | −3.778 | −4.439 | −2.655 |
31 | −136.246 | −108.025 | −144.947 | −1.755 | −4.258 | −3.376 |
Vem. | −154.482 | −116.174 | −164.502 | −4.370 | −4.681 | −3.520 |