Table 2.

The energy score and binding data for all compounds against selected proteins.

Compound	Protein	Ligand	Receptor		Interaction	Distance	E (Kcal/mol)	S (Energy Score)
14	3k4p	S 4	OG	SER	H-donor	3.75	−0.5	−5.1153
			99	(A)
		N 13	OG	SER	H-donor	3.09	−1.6
			99	(A)
		5-ring	CB	THR	pi-H	4.41	−0.5
			248	(A)
	1ydo	-----	-----		-----	-----	-----	−4.5481
	1ecl	N 13	O	HOH	H-donor	3.33	−1.7	−4.3294
			744	(A)
17a	3k4p	S 4	OE1	GLN	H-donor	3.18	−0.7	−5.2078
			13	(B)
		6-ring	CB	GLN	pi-H	4.00	−0.5
			16	(B)
		6-ring	CA	CYS	pi-H	4.35	−0.8
			17	(B)
	1ydo	5-ring	CB	LYS	pi-H	4.00	−1.1	−7.0064
			297	(B)
	1ecl	-----	-----		-----	-----	-----	−4.9748
19f	3k4p	S 1	OD1	ASN	H-donor	3.88	−1.4	−5.8156
			36	(A)
		N 6	OE2	GLU	H-donor	2.99	−4.6
			43	(A)
		S 20	O	ALA	H-donor	3.43	−1.3
			35	(A)
		N 22	O	SER	H-donor	3.01	−1.7
			38	(A)
		5-ring	CA	SER	pi-H	4.10	−0.5
			41	(A)
	1ydo	5-ring	5-ring	TRP	pi-pi	3.88	−0.0	−6.2008
			55	(A)
		5-ring	6-ring	TRP	pi-pi	4.00	−0.0
			55	(A)
		5-ring	6-ring	TRP	pi-pi	3.8	−0.0
			55	(A)
	1ecl	S 20	OD2	ASP	H-donor	3.52	−2.9	−5.0501
			62	(A)
		N 7	O	HOH	H-acceptor	3.03	−0.9
			1030	(A)
		N 18	O	HOH	H-acceptor	3.60	−1.2
			1039	(A)
24	3k4p	N 7	OE1	GLU	H-donor	3.2	−0.7	−5.3916
			37	(A)
		N 11	O	GLU	H-donor	3.49	−0.7
			37	(A)
		S 17	O	GLU	H-donor	4.21	−0.9
			37	(A)
		5-ring	CG	PRO	pi-H	3.64	−0.8
			409	(A)
	1ydo	5-ring	CB	LYS	pi-H	4.27	−0.5	−6.8467
			297	(B)
	1ecl	S 22	OD2	ASP	H-donor	3.80	−3.3	−4.9736
			506	(A)
		N 23	OD2	ASP	H-donor	3.05	−4.0
			506	(A)
		O 13	NZ	LYS	H-acceptor	3.22	−5.1
			302	(A)
		5-ring	O	HOH	pi-H	3.63	−1.2
			661	(A)