. Author manuscript; available in PMC: 2014 May 23.

Published in final edited form as: J Phys Chem B. 2013 May 15;117(20):6092–6105. doi: 10.1021/jp401742y

TABLE II.

Weights of Clusters (in %) from Previous and Present Works

Cluster type	KGA^a	pfoldf^b	REMD^c	CTMD^d	Present work^e
Native	36.4	35.0	37.8	37.1	33.5
Cs-or	3.6	2.6	5.3	5.3	2.6
Ns-or	7.4	6.2	7.3	6.3	5.4
Helical	11.6	11.2	–	–	12.8
Ch-curl	6.0	4.9	3.9	1.8	7.8

Kinetic grouping analysis (KGA)^35,38.

p_fold analysis based on an equilibrium kinetic network (pfoldf), Ref.³⁸.

Replica exchange molecular dynamics (REMD)³⁶.

Constant temperature molecular dynamics (CTMD)³⁶.

Cs-or+Native and Ns-or+Native clusters are added to the Native cluster.