Table 3.

Hydrophobic interactions of organic anions.

Organic anion	Binding affinity (kcal/mol)	Index	Residue	AA	Distance (Å)	Ligand atom	Protein atom
DAB	-3.1	1	8A	VAL	3.67	1691	20
		2	36A	THR	3.66	1689	218
DNB	-3.2	1	36A	THR	3.70	1687	218
		2	41A	PHE	3.59	1689	252
		3	41A	PHE	3.76	1687	250
FA	-3.5	1	7A	PRO	3.67	1689	12
		2	77B	VAL	3.61	1692	1410
		3	77B	VAL	3.68	1689	1408
NMP	-3.2	1	7A	PRO	3.58	1691	12
		2	77B	VAL	3.64	1690	1408
mCPBA	-3.3	1	36A	THR	3.72	1692	218
		2	41A	PHE	3.69	1692	247