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. 2016 Apr 26;110(8):1744–1752. doi: 10.1016/j.bpj.2016.03.027

Figure 2.

Figure 2

Structural dynamics of MCoTI-II. (A) RMSDs measured for Cα atoms for structures of MCoTI-II as a function of time under different conditions; RMSD values were determined all relative to the native structure (PDB: 1IB9) (5). Simulations involving initial simulated heating (SS0u(a), SS0u(b), and SS0u(c)) show a large increase in RMSD values immediately, while simulations without heating (SS0f(a) and SS0f(b)) can reach a high final RMSD value of ∼9 Å as well. (B) Comparison of MCoTI-II structures from simulations SS0f(a) and SS123f, at times pointed to by arrows in (A). Colors as in Fig. 1. To see this figure in color, go online.