TABLE 4.

Populations and percentages of the most populated structure clusters

	Population*			Percentage
Peptide	300 K†	360 K†	306K‡	300 K†	360 K†	306K‡
WT	1842	366	2509	36.8	7.3	50.2
DIM4	3242	630	4365	64.8	12.6	87.3
DIM9	2915	410	2713	58.3	8.2	54.3
dDIM	1364	243	1716	27.3	4.9	34.3
ACK	1030	165	1102	20.6	3.3	22.0

^*Total number of structures is 5000 for each peptide at each temperature.

^†Data at 300 K and 360 K are from conventional MD simulations.

^‡Data at 306 K are from replica-exchange MD simulations.