Table 4.

comparison between the docking score using original model and mutant model.

Mutant amino acid	CAS No.	Decreasing auplitude of score after mutant (%)	Mutant amino acid	CAS No.	Decreasing auplitude of score after mutant (%)	Mutant amino acid	CAS No.	Decreasing auplitude of score after mutant (%)
Phe12	42406-77-9	7.37		974-23-2	15.38		53-03-2	19.11
	974-23-2	64.76		754-96-1	39.70		50-24-8	12.82
	754-96-1	40.04		53-03-2	-0.73		2545-89-3	3.67
	53-03-2	27.54		50-24-8	6.08		6099-08-7	-6.84
	50-24-8	13.70		2545-89-3	3.06		865-79-2	45.33
	2545-89-3	4.15		6099-08-7	-9.06	Trp37	754-96-1	23.66
	20556-13-2	4.15		20556-13-2	0.02		53-03-2	37.71
	45234-02-4	5.84		45234-02-4	-0.61		50-24-8	17.79
	24305-27-9	14.87		24305-27-9	13.82		2545-89-3	5.59
	678-39-7	48.92		678-39-7	29.77		6099-08-7	-0.63
	375-95-1	112.54		375-95-1	16.61		678-39-7	-0.41
	5545-52-8	13.67		5545-52-8	1.55		5545-52-8	6.64
	865-79-2	43.73		865-79-2	20.39		865-79-2	38.21
Ile52	974-23-2	17.22	Phe118	42406-77-9	-0.69	Ser56	42406-77-9	-2.34
	754-96-1	27.26		974-23-2	20.37		2545-89-3	-0.11
	53-03-2	26.82		754-96-1	26.04		6099-08-7	-2.53
	50-24-8	7.82		53-03-2	45.92		20556-13-2	6.19
	2545-89-3	-0.58		50-24-8	15.24		45234-02-4	2.20
	6099-08-7	0.68		6099-08-7	-1.05		24305-27-9	5.38
	45234-02-4	3.07		20556-13-2	6.51	Glu98	974-23-2	36.12
	24305-27-9	2.02		24305-27-9	1.86		2545-89-3	2.63
	678-39-7	17.08		678-39-7	6.38		6099-08-7	-9.45
	375-95-1	44.88		375-95-1	30.92		375-95-1	-82.33
	5545-52-8	5.24		5545-52-8	2.77	Arg110	754-96-1	-10.06
	865-79-2	79.73		865-79-2	35.38		53-03-2	35.25
Ile94	42406-77-9	-11.82	Thr9	754-96-1	1.63		50-24-8	6.95