Table 4.
The parameters of the five protein pockets in BIK predicted by PockDrug-Server
| Diameter hull | Polar residues | Smallest size | Nlys atom | Ntrp atom | Aromatic residues | Volume hull | Otyr atom | Nb RES | Surface hull | Ooh atom | Hydrophobic kyte | Radius cylinder | Aliphatic residues | Nd1 atom | Hydrophobic residues | Druggability scores | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| pocket2_atm | 11.6 | 0.5 | 7.2 | 0.0 | 0.0 | 0.4 | 256.3 | 0.0 | 8.0 | 224.3 | 0.0 | 0.5 | 5.6 | 0.1 | 0.0 | 0.8 | 0.98 |
| pocket1_atm | 12.6 | 0.6 | 6.6 | 0.0 | 0.0 | 0.2 | 337.5 | 0.0 | 9.0 | 265.4 | 0.0 | 0.4 | 6.0 | 0.2 | 0.0 | 0.7 | 0.95 |
| pocket0_atm | 16.5 | 0.5 | 7.6 | 0.0 | 0.0 | 0.2 | 560.6 | 0.0 | 11.0 | 394.6 | 0.0 | 0.2 | 8.5 | 0.4 | 0.0 | 0.6 | 0.89 |
| pocket4_atm | 13.1 | 0.6 | 7.0 | 0.0 | 0.0 | 0.1 | 348.9 | 0.0 | 8.0 | 282.2 | 0.0 | 0.8 | 6.4 | 0.3 | 0.0 | 0.6 | 0.31 |
| pocket3_atm | 16.1 | 0.7 | 7.7 | 0.0 | 0.0 | 0.1 | 453.5 | 0.0 | 10.0 | 330.3 | 0.0 | 2.0 | 7.9 | 0.1 | 0.0 | 0.5 | 0.02 |