Biophysical Journal 84 3

Cover: The conformational variability of the diverging turn motif from SH3 domain obtained from replica exchange molecular dynamics simulation. The contour plot shows the probability of conformations as a function the root-mean-square-deviation of Cα atoms from the native (RMSD-CA) and temperature. The red color indicates the most populated conformations and the side bar relates the color gradient to fractional population. Three major basins are defined based on this map; Folded: rmsd-CA ≤1.5Å , Intermediate: 1.5Å <rmsd-CA≤ 2.1Å and Unfolded: rmsd-CA > 2.1Å.