Figure 2.

Simulation convergence. (A) Time evolution of one replica in temperature space. (B) Time evolution of the conformational entropy as estimated by the quasi-harmonic approach based on the ensemble trajectory at 315 K. (C) Propensity of coil as a function of temperature in the time intervals of 100–150, 150–200, and 200–250 ns. (D) Propensity of turn as a function of temperature in the three time intervals. (E and F) Propensities of α-helix and β-strand, respectively, as a function of temperature in the three time intervals.