Table 3.

List of residues involved in forming polar interaction and salt bridges.

Interactions	Receptor residues	Ligand residues
Hydrogen bonds	GLU-5, VAL-6, THR-11, GLN-13, SER-36, ARG-238, ARG-329, THR-333, ARG-356, HIS-405, ASP-427, HIS-430, HIS-432, LYS-451, ASP-476, SER-478, GLN-479, ASN-500, ASN-504, GLN-505, GLN-552, GLU-577, ARG-580, GLU-582, GLN-590	LYS-208, THR-209, GLN-331, GLN-325, LYS-324, GLN-260, GLY-295, PRO-303, GLY-304, ALA-301, TYR-288, THR-282 SER-342, THR-126, LYS-283, SER-340, GLU-131, LYS-130, LYS-170, LYS-184, ALA-231, ALA-166, SER-167
Salt bridges	GLU-5, ASP-34, ASP-58, ASP-476, HIS-503, GLU-577, GLU-579, ASP-588	LYS-208, LYS-324, LYS-324, LYS-283, GLU-131, LYS-184, LYS-184, LYS-94

The residues from the receptor, TLR4, are renumbered from 1. The start residue 27 in TLR4 is represented as 1.