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Drug-Receptor Interaction of Peptidic HIV-1 Protease: The Hydrophobic Effect-I

Table 8

SASA,SASA_d, SASA_rand ΔSASA_dr of compounds of the second set.

S.N.		SASA											Binding Site			Catalytic Site
													Val	Ile		Asp	Thr	Gly
				Substituent-R1			Substituent-R2			Substituent-R3			SASA_r= 17.28	SASA_r= 24.16		SASA_r= 20.69	SASA_r= 15.66	SASA_r= 0
				SASA_H	SASA_R1		SASA_H	SASA_R2		SASA_H	SASA_R3		ΔSASA_dr	ΔSASA_dr		ΔSASA_dr	ΔSASA_dr	ΔSASA_dr
19		210.51		185.85	24.66		210.51	0.00		210.51	0.00		7.38	0.50		3.97	9.00	-----
20		218.59		189.74	28.85		218.59	8.08		218.59	0.00		11.57	4.69		8.16	13.19	-----
21		242.44		206.84	35.60		242.44	0.00		235.54	6.90		18.32	11.44		14.91	19.94	-----
22		226.19		186.15	40.04		226.19	0.00		226.19	0.00		22.76	15.88		19.35	24.38	-----
23		225.17		185.73	39.44		225.17	0.00		225.17	0.00		22.16	15.28		18.75	23.78	-----
24		228.42		187.43	40.99		228.42	0.00		228.42	0.00		23.71	16.83		20.30	25.33	-----
25		218.71		188.66	30.05		218.71	0.00		218.71	0.00		12.77	5.89		9.36	14.39	-----
26		218.47		187.88	30.59		218.47	0.00		218.47	0.00		13.31	6.43		9.90	14.93	-----
27		228.16		185.70	42.46		228.16	0.00		228.16	0.00		25.18	18.30		21.77	26.80	-----
28		188.58		188.10	0.48		188.58	0.00		188.58	0.00		16.80	23.68		20.21	15.18	-----
29		217.28		216.73	0.55		217.28	0.00		217.28	0.00		16.73	23.61		20.14	15.11	-----
30		199.57		188.06	11.51		199.57	0.00		199.57	0.00		5.77	12.65		9.18	4.15	-----
31		234.50		185.74	48.76		234.50	0.00		234.50	0.00		31.48	24.60		28.07	33.10	-----
32		227.80		182.87	44.93		227.80	0.00		227.80	0.00		27.65	20.77		24.24	29.27	-----
33		210.34		185.86	24.48		210.34	0.00		210.34	0.00		7.20	0.32		3.79	8.82	-----
34		233.55		189.57	43.98		233.55	0.00		233.55	0.00		26.70	19.82		23.29	28.32	-----
35		226.76		187.28	39.48		226.76	0.00		226.76	0.00		22.20	15.32		18.79	23.82	-----