Ligand | Binding Energy (Kcal/mol) | Active Site | Hydrogen Bonds |
Amprenavir | −4.95 | LYS5, TYR126-GLN127, LYS137, SER139, GLU288-ASP289-GLU290 | LYS5-O7 ASP289-N10 |
Asunaprenavir | −5.64 | PHE8, VAL104, ILE106, GLN110-THR111, ASN151-ILE152-ASP153, SER158, THR292, PHE294-ASP295 | LYS102-O47 |
Atanazavir | −3.36 | TYR126, LYS137-GLN138-SER139-PHE140, GLY170-VAL171 | 0 |
Darunavir | −5.09 | LYS5, TRY126-GLN127-ARG131, LYS137-GLY138, ASP289-GLU290 | GLU290-O5 |
Fosamprenavir | −3.94 | LYS5, TRY126-GLN127-CYS128, LYS137, LEU286-LEU287-GLU288, ASP289-GLU290 | 0 |
Indinavir | −6.85 | LYS5, TYR126-GLN127, SER139, GLU290 | LYS5-O3 GLU290-O3 |
Lopinavir | −6.82 | PHE8, VAL104-ARG105-ILE106, GLN110-THR111, ASN151, PHE294-ASP295 | 0 |
Nelfinavir | −6.15 | LYS5, TYR126-GLN127, LYS137-LY138-SER139, PHE140, GLU166, THR169-GLY170 | LYS5-O2 GLY138-N8 SER139-O5 |
Ritonavir | −3.87 | LYS102, THR111, ASN151-ILE152, SER158, THR292, PHE294-ASP295, ARG298 | 0 |
Saquinavir | −2.11 | LYS5, TYR123, LYS137-GLY138, SER139, LUE141, GLU166, HIS172 | 0 |
Telaprevir | −5.35 | LYS5, TYR126-GLN127, ARG131, LYS137, GLU290 | LYS5-O8 LYS5-O51 GLN127-N34 LYS137-N46 |
Tipranavir | −6.60 | LYS5, TYR126-GLY127;LYS137-GLY138-SER139, HIS172, GLU290 | GLU290-O6 |