Table 1

Hypo no	Total costa	Cost difference	RMSDb	Correlation	Featuresc	Max fit
Hypo1	111.95	71.22	0.7	0.97	Hy-Ali, 2HyP,RA	11.4
Hypo 2	113.31	69.86	0.7	0.96	Hy-Ali, 2HyP,RA	11.5
Hypo 3	116.45	66.71	0.8	0.95	Hy-Ali,HyP,RA,HBA	11.9
Hypo 4	116.47	66.69	1.0	0.94	HBA, HBD 2HyP	10.7
Hypo 5	117.11	66.05	0.9	0.94	Hy-Ali,HyP,RA,HBA	11.5
Hypo 6	119.51	63.65	1.0	0.93	HBA,HBD,2HyP	11.26
Hypo 7	119.52	63.65	0.9	0.95	HBA,2HyP,RA	12.65
Hypo 8	119.82	63.35	0.9	0.94	HBA,Hy-Ali,HBD,RA	12.33
Hypo 9	119.94	63.23	1.2	0.91	HBA,Hy-Ali,2HyP, RA	11.98
Hypo10	120.52	62.65	1.1	0.91	HBA,HBD, Hy-Ali	7.8