. Author manuscript; available in PMC: 2013 Jan 12.

Published in final edited form as: J Phys Chem B. 2011 Dec 12;116(1):599–605. doi: 10.1021/jp209302e

Table 2.

Root mean square deviations

		CI2		Lysozyme		BSA
		Cα	Heavy	Cα	Heavy	Cα	Heavy

CI2W	30–115 ns	1.02 (0.19)	1.85 (0.19)	N/A	N/A	N/A	N/A
CI2W	30-max	1.11 (0.21)	1.95 (0.21)	N/A	N/A	N/A	N/A

CI2LYS	30–115 ns	1.18 (0.19)	1.92 (0.17)	1.06 (0.22)	1.62 (0.20)	N/A	N/A
CI2LYS	30-max	1.22 (0.16)	2.01 (0.16)	1.10 (0.32)	1.68 (0.27)	N/A	N/A

CI2BSA	30–115 ns	1.01 (0.13)	1.86 (0.14)	N/A	N/A	3.45 (0.45)	3.82 (0.41)
CI2BSA	30-max	1.01 (0.13)	1.86 (0.14)	N/A	N/A	3.45 (0.44)	3.83 (0.41)

Average root mean square deviations (RMSD) in Å for CI2, lysozyme, and BSA with respect to initial structures. CI2 data is averaged over time. Lysozyme and BSA data is averaged over both time and multiple copies present in the CI2LYS and CI2BSA simulations, respectively. Standard deviations are given in parentheses.