Table 7.
Conservation of the pattern of interactions formed by cliff partners at the same binding pocket.
| Protein | Contact similarity (complexA, complexB) ≥ 50% | |||
|---|---|---|---|---|
| Template docking | Free Docking | |||
| Lig-A: X-ray | Lig-A: ALiBERO-Set | Lig-B only | Lig-A and Lig-B | |
| CDK2 | 22/26 (85%) | 23/26 (88%) | 20/26 (77%) | 20/26 (77%) |
|
| ||||
| THRB | 22/24 (92%) | 15/24 (63%) | 19/24 (79%) | 21/24 (88%) |
|
| ||||
| HS90A | 17/17 (100%) | 17/17 (100%) | 6/17 (35%) | 7/17 (42%) |
|
| ||||
| FA10 | 7/11 (64%) | 10/11 (91%) | 4/11 (36%) | 6/11 (55%) |
|
| ||||
| LKHA4 | 13/26 (56%) | 13/26 (56%) | 9/23 (39%) | 7/23 (30%) |
|
| ||||
| BACE1 | 17/18 (94%) | 18/18 (100%) | 15/18 (83%) | 15/18 (83%) |
|
| ||||
| SRC | 15/15 (100%) | 15/15 (100%) | 7/15 (47%) | 7/15 (47%) |
|
| ||||
| MK14 | 6/7 (86%) | 5/7 (71%) | 2/7 (29%) | 4/7 (57%) |
|
| ||||
| CHK1 | 4/5 (80%) | 4/5 (80%) | 5/5 (100%) | 5/5 (100%) |