Fig. S4.

Fraction of folded proteins computed from two independent sets of REMD simulations. The first set of REMD simulations was initialized from a thermally unfolded Trp-cage structure, whereas a configuration from the folded state was used to initiate the second set. (A) The fraction of replicas with folded proteins computed as a function of time shows convergence of the two REMD simulations after ∼0.5 µs. (B) The fraction folded distributions computed from the REMD simulations after discarding the first 1.5 µs of each trajectory are indistinguishable, thus confirming that equilibrium has been reached.