Table 3.

Amino acids residues involved in H-bonds in both ligands and receptors.

Inhibitor	Amino acids with H-bonds
2GTB (PDB)	LYS5, ALA7, THR25, HIS41, MET49, TYR54, VAL125, TYR126, GLY127, PHE140, LEU141, ASN142, GLY143, SER144, CYS145, HIS163, HIS164, MET165, GLU166, LEU167, PRO168, HIS172, ASP187, ARG188, GLN189, GLN192, ALA198, LYS236, TYR237, GLN273
Lopinavir	ARG188, GLU166, GLN189
Nelfinavir	GLN189, GLU166, GLN192
1	CYS145, HIS163, CYS145
2	GLU166, ARG188
3	GLU166, SER144, LEU141, HIS164, GLN168, CYS145, ASN142
4	GLU166, LEU141, CYS145, ASN142, HIS41, GLN189, HIS164,
5	THR 26, HIS164, HIS163, LEU141, THR26
6	HIS163, CYS145, LEU141, ASN142, CYS145
7	GLU166, THR190, GLN189, ASN142, PHE140
8	CYS145, GLU166, HIS164, GLU166
9	GLN189, HIS141, GLY143,
10	ASN142, HIS41