TABLE 3.
The consensus score (average rank) of each ligand‐induced fit model in each cluster
| Initial model | ID | Ligscore1 | Ligscore2 | ‐PLP1 | ‐PLP2 | Jain | ‐PMF | ‐PMF04 | Ludi_1 | Ludi_2 | Ludi_3 | Consensus score |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| MOD1 | 1_3 | 1 | 1 | 1 | 1 | 3 | 5 | 6 | 2 | 2 | 5 | 2.7 |
| 1_1 | 2 | 2 | 4 | 3 | 2 | 4 | 5 | 3 | 1 | 3 | 2.9 | |
| 1_5 | 3 | 4 | 2 | 2 | 6 | 2 | 2 | 4 | 3 | 1 | 2.9 | |
| 1_4 | 4 | 3 | 6 | 6 | 1 | 3 | 3 | 1 | 4 | 4 | 3.5 | |
| 1_7 | 6 | 6 | 3 | 4 | 5 | 1 | 1 | 6 | 6 | 2 | 4 | |
| 1_6 | 5 | 5 | 5 | 5 | 4 | 6 | 4 | 5 | 5 | 6 | 5 | |
| MOD2 | 2_3 | 3 | 1 | 1 | 1 | 2 | 2 | 1 | 1 | 1 | 2 | 1.5 |
| 2_2 | 2 | 2 | 2 | 2 | 1 | 1 | 2 | 2 | 2 | 1 | 1.7 | |
| 2_1 | 1 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 2.8 | |
| MOD3 | 3_2 | 1 | 2 | 1 | 2 | 2 | 1 | 1 | 2 | 1 | 1 | 1.4 |
| 3_1 | 2 | 1 | 2 | 1 | 1 | 2 | 2 | 1 | 2 | 2 | 1.6 | |
| 3_3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 |