Conformational energy landscapes with respect to backbone RMSD and Rg for (A) MWT0, (B) MWT90, (C) MWT170, and (D) MMT0.

<p>Labels of 1 and 2 in the landscapes represent the initial (left) and the final (right) structures at 0 ns and 40 ns, respectively. Color codes: negatively charged residues (<i>red</i>), positively charged residues (<i>blue</i>), hydrophilic residues (<i>green</i>), and hydrophobic residues (<i>white</i>). C_β atoms of Met35 are shown by VDW spheres to guide eyes. All cartoon structures are rendered by VMD <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0020575#pone.0020575-Humphrey1" target="_blank">[62]</a>.