Table 5. Same as Table 4, but for Simulation 2.

		interchain interaction energy (kcal/mol)			secondary structure (%)
cluster	population of cluster (%)	electrostatic	van der Waals	pore radius (Å)	β	helix	turn	coil
S1	15.44	–681.59	–187.84	1.87 (0.22)	32.54	0.00	6.35	61.11
S2	11.31	–655.46	–207.55	N/A	27.78	5.55	26.19	40.48
S3	10.70	–288.29	–146.26	1.89 (0.27)	34.13	0.00	17.46	48.41
S4	10.67	–229.88	–157.30	1.70 (0.23)	22.22	4.76	15.87	57.15
S5	9.80	–381.51	–162.76	N/A	24.60	0.00	21.43	53.97
S6	9.54	–479.34	–186.41	1.98 (0.34)	30.16	5.56	26.98	37.30
S7	8.48	–237.10	–135.33	N/A	28.57	0.00	33.33	38.10
S8	7.61	–546.31	–168.60	N/A	24.60	2.38	21.43	51.59
S9	5.60	–531.05	–183.49	1.93 (0.20)	23.82	4.76	26.98	44.44
S10	5.09	–386.39	–159.77	N/A	22.22	0.00	24.60	53.18
S11	3.33	–465.62	–170.44	N/A	25.40	0.00	30.16	44.44
S12	2.42	–338.33	–158.81	N/A	26.98	0.00	19.05	53.97