Table 3 Pair-wise Atom-Atom RMSD (Ǻ) (checking all automorphisms) of all 5 poses obtained.
(A) AChE | ||||||
|---|---|---|---|---|---|---|
Poses | Pose 1 | Pose 2 | Pose 3 | Pose 4 | Pose 5 | RMSDaverage |
Pose 1 | 1.394 | 1.473 | 6.61 | 6.471 | 3.987 | |
Pose 2 | 1.394 | 6.941 | 1.473 | 6.928 | 4.184 | |
Pose 3 | 1.473 | 6.941 | 6.61 | 1.51 | 4.134 | |
Pose 4 | 6.61 | 1.473 | 6.61 | 6.874 | 5.392 | |
Pose 5 | 6.471 | 6.928 | 1.51 | 6.874 | 5.446 | |
(B) BChE | ||||||
Poses | Pose 1 | Pose 2 | Pose 3 | Pose 4 | Pose 5 | RMSD average |
Pose 1 | 2.198 | 7.576 | 5.99 | 6.144 | 5.477 | |
Pose 2 | 2.198 | 5.995 | 4.297 | 1.018 | 3.377 | |
Pose 3 | 7.576 | 5.995 | 4.456 | 4.578 | 5.651 | |
Pose 4 | 5.99 | 4.297 | 4.456 | 6.205 | 5.237 | |
Pose 5 | 6.144 | 1.018 | 4.578 | 6.205 | 4.486 | |