Table 4.
Standard drug | Binding affinity (kcal/mol) | Index | Residue | AA | Distance (Å) | Ligand atom | Protein atom |
---|---|---|---|---|---|---|---|
ChQ | -3.6 | 1 | 41A | PHE | 3.71 | 1704 | 250 |
2 | 41A | PHE | 3.63 | 1703 | 252 | ||
3 | 41A | PHE | 3.63 | 1707 | 248 | ||
HChQ | -3.6 | 1 | 36A | THR | 3.58 | 1710 | 218 |
2 | 41A | PHE | 3.36 | 1705 | 250 | ||
H3PO4 | -2.2 | - | - | - | - | - | - |
H2SO4 | -2.0 | - | - | - | - | - | - |