Table V.

Cluster analysis for the docking results of TAALS, LAALS and TAACS

	Cluster Rank	Number in the Cluster	Lowest Docked Energy (kcal/mol)	Mean Docked Energy (kcal/mol)	Standard Deviation of Docked Energy(kcal/mol)	Lowest Binding Free Energy (kcal/mol)
TAALS	1	18	−11.05	−7.96	1.40	−6.14
	2	19	−10.73	−8.82	1.57	−6.07
	3	57	−10.41	−7.01	1.13	−5.30
	4	22	−10.26	−8.68	0.86	−5.80
	5	8	−10.04	−6.87	1.48	−4.65
LAALS	1	61	−11.94	−8.29	1.09	−5.85
	2	24	−9.45	−7.32	1.06	−3.40
	3	18	−8.93	−7.05	1.00	−3.06
	4	7	−8.78	−7.36	1.03	−3.44
	5	4	−8.73	−6.80	1.32	−3.37
TAACS	1	10	−10.26	−7.65	1.61	−5.85
	2	48	−9.03	−7.34	0.89	−4.72
	3	24	−8.70	−6.79	0.96	−4.43
	4	28	−8.55	−6.55	1.10	−4.04
	5	3	−8.32	−6.79	1.61	−4.31

The clustering analysis results for the global docking result of TAALS and local docking results of LAALS and TAACS are listed here. The data listed in bold are the biggest cluster and the lowest binding free energy conformation in this cluster was drawn in the Figure 5.