Table II. Numbers of conformations selected at each calculation step by specified energy cut-offs (ΔE, kcal/mol).

Receptor	EC2 (ΔE < 30) or EC3 (ΔE < 15), numbers of clusters	EC1+EC2+EC3 (ΔE < 30)	EC1+EC2+EC3+TM
			First run (ΔE < 70)	Second run (ΔE < 50)
R25	29	80	27	15
R17	17	76	12a	6
R115	25	280	47	32
R111	20	60	15	12
R127	31	33	11a	6b
R125	18	227	41	24
R128	28	146	38	10
WT	27	144	27	17
R12	36	161	33	17
R6	25	93	19	13
R27	29	268	61	19
R20	33	77	25	10
R18	30c	111	31	24
R10	25c	204	45	31
R8	29c	259	80	19
R53	21c	118	41	12
R102	49c	187	57	36
R105	18c	80	30	14
R109	33c	308	71	22
R104	10b	146	44	28
R118	17c	67d	13	6
K13	14	110	24	11
K97	11	182	56	20
K129	11	298	81	18
K132	13	169	48	20
K17	10	69	16	14
K127	9	53	15c	9

^aΔE < 100 kcal/mol;

^bΔE < 70 kcal/mol;

^cΔE < 25 kcal/mol;

^dΔE < 40 kcal/mol.