TABLE 1.

Energy contribution of the amino acid residues in quercetin-NF-κB p65 complex (kcal/mol).

Residue	MM energy	Polar energy	APolar energy	Total binding energy
GLU-193	−1.5711	−0.0402	−0.0434	−1.664
LYS-195	−12.1894	14.7148	−0.9486	1.5691
ILE-196	−12.7374	8.3502	−0.5769	−4.9665
CYS-197	−1.9541	0.8429	−0.1067	−1.2177
ASP-217	0.3679	−2.6891	0	−2.321
SER-281	−5.8283	2.1661	−0.025	−3.6935
GLU-282	−14.1846	10.9347	−0.9743	−4.2258
PRO-283	−7.95	7.0112	−0.3111	−1.2523
MET-284	−10.0788	3.5403	−0.9126	−7.4508
GLU-285	−1.5706	0.6285	−0.1225	−1.0671