Table 7.

Binding energy values and residue information of in silico potential complexes.

S. No	Complex	Binding energy (KJ/mol)	Active site residues within 6.5 A	Binding energy (KJ/mol)
1	6LU7-LUT	−84.035 ± 16.402	VAL-212, ILE-213, ARG-217, TRP-218, PHE-219, LEU-220, ASN-221, ARG-222, PHE-223, THR-257, ILE-259, ALA-266 SER-267, LEU-268, LYS-269, GLU-270, LEU-271, ASN-274, GLY-275, MET-276, ASN-277, ARG-279, VAL-303	−30.7317
2	6LU7-QUA	−82.056 ± 15.906	SER-139, ASN-203, VAL-204 TYR-237, TYR-239, LEU-268, GLU-270, LEU-271, LEU-272, GLN-273, ASN-274, GLY-275, MET-276, SER-284, ALA-285, LEU-286, LEU-287, GLU-288, ASP-289, GLU-290, PHE-291	−34.8114
3	6LZG-LUT	−106.398 ± 25.384	GLN-81, LEU-85, LEU-95, GLN-96, LEU-97, GLN-98, ALA-99, LEU-100, GLN-101, GLN-102, ASN-103, GLY-104, SER-105, LYS-187, MET-190, ASN-194, HIS-195, TYR-196, TYR-199, ASP-201, TYR-202, TRP-203, ARG-204, GLY-205, ASP-206, TYR-207, GLU-208, VAL-209, ASN-210, ALA-396, ARG-460, ASP-509, TYR-510, SER-511, ILE-513, LYS-562, PRO-565, TRP-566	−6.5807
4	6LZG-MEL	−137.222 ± 18.027	LEU-91, LEU-95, GLN-98, ALA-99, GLN-102, ASN-103, GLY-104, TYR-196, TYR-202, TRP-203, ARG-204, GLY-205, ASP-206, TYR-207, GLU-208, VAL-209, ASN-210, GLY-211, VAL-212, ARG-219, GLY-395, ALA-396, ASN-397, GLU-398, ASP-509, ARG-514, GLY-561, LYS-562, SER-563, GLU-564, PRO-565, TRP-566, THR-567.	−7.2158