Table 2.
Statistics of the LP/MS filter docking run
|
Docking statistics of the filter run | ||||
|---|---|---|---|---|
| Cluster No.a | distance to patch 1 (Å)b | distance to patch 2 (Å) | HADDOCK scorec | No. of structuresd |
| 1 |
14.90 |
2.58 |
-80.0 |
44 (2) |
| 2 |
11.39 |
3.47 |
-73.6 |
51 (1) |
| 3 |
4.54 |
18.63 |
-73.4 |
24 (3) |
| 4 |
7.45 |
15.01 |
-60.9 |
5 (8) |
| 5 |
13.52 |
4.35 |
-60.5 |
6 (7) |
| 6 |
23.12 |
3.57 |
-56.8 |
15 (5) |
| 7 |
15.26 |
4.18 |
-50.4 |
15 (4) |
| 8 |
19.99 |
4.08 |
-49.4 |
4 (9) |
| 9 | 8.52 | 6.07 | -46.5 | 9 (6) |
a: Ranked by HADDOCK score.
b: The average distance of all residues in the interface of the docked model towards the center of the interface of the reference structure.
c: The average HADDOCK score of the four lowest energy structures in the cluster.
d: In parentheses the rank concerning the number of structure is shown.