Molecule | Binding affinity (kcal/mol) | Interaction | Amino acid residue | Distance (Ã…) | |
---|---|---|---|---|---|
Category | Type | ||||
25 | − 6.40 | Halogen | Halogen (fluorine) | GLU772 | 3.13077 |
Hydrophobic | Pi-pi stacked | TYR781 | 3.79051 | ||
Pi-alkyl | ARG779 | 4.90829 | |||
32 | − 7.00 | Hydrogen bond | Conventional hydrogen bond | THR755 | 2.21195 |
Hydrophobic | Pi-sigma | THR755 | 3.55928 | ||
Alkyl | ARG752, PRO801 | 4.57691, 5.43965 | |||
Pi-alkyl | PHE754, ARG752 | 4.98372, 4.33078 |