Entry | Binding affinities (kcal/mol) | Hydrogen bond (B. distance (Å)) | Other interactions | |||
---|---|---|---|---|---|---|
Conventional hydrogen bond | Carbon hydrogen bond | Hydrophobic | Halogen | Electrostatic | ||
SFD1 | − 8.8 | PRO794 (2.29) | GLN791 (3.35) and PHE795 (3.51) | PHE795, GLY796, ALA743, MET793, LEU844, LYS745, LEU788, LEU718, VAL726, and ALA743 | ||
SFD2 | − 9 | PRO794 (2.71) and LYS745 (2.13) | PHE795 (3.33) and TYR801 (3.63) | PHE795, GLY796, LEU718, ALA743, LEU844, VAL726, and LYS745 | ||
SFD3 | − 9 | PRO794 (2.52) and LYS745 (1.92) | GLN791 (3.59) and PHE795 (3.38) | PHE795, GLY796, ALA743, MET793, LEU844, LYS745, LEU788, LEU718, and VAL726 | LEU788 | |
SFD4 | − 9.2 | PRO794 (2.46) and THR790 (2.32) | GLN791 (3.33) and MET793 (3.79) | PHE795, GLY796, MET793, LEU844, MET766, LEU718, LEU844, and VAL726 | ALA743 and LEU788 | LYS745 |
SFD5 | − 9 | PRO794 (2.47) and LYS745 (2.00) | GLN791 (3.60) and PHE795 (3.51) | PHE795, GLY796, MET793, LEU844, LEU718, VAL726, ALA743, and LYS745 | ||
SFD6 | − 8.9 | PRO794 (2.59) | PHE795 (3.35) and TYR801 (3.61) | PHE795, GLY796, LEU844, LEU718, ALA743, VAL726, and LYS745 | ||
SFD7 | − 9.1 | PRO794 (2.36) and THR854 (2.89) | GLN791 (3.46) and PHE795 (3.47) | PHE795, GLY796, ALA743 (2), MET793, LEU844 (2), MET766, CYS775, MET766, LEU718, VAL726, and LYS745 | GLU762 | |
SFD8 | − 9.3 | PRO794 (2.61) and LYS745 (2.23) | PHE795 (3.35) and TYR801 (3.62) | PHE795, GLY796, LEU844, LEU718, VAL726, ALA743, and LYS745 | ||
SFD9 | − 9.2 | PRO794 (2.43) | GLN791 (3.52) and PHE795 (3.42) | PHE795, GLY796, ALA743, MET793, LEU788, LEU718, LEU844, VAL726, and LYS745 | ||
SFD10 | − 9.5 | THR790 (2.33) | PRO794 (3.31) | LYS745, LEU792, LYS728, PRO794, and VAL726 | ALA743, ILE744, and LEU788 | LYS745 |
STD DRG | − 7.5 | GLN791 (3.37) and GLY796 (3.52) | LYS745,VAL726, LEU718, ALA743, and CYS797 | ASP855 |