Fig. 3.

The free energy at T = 300 K as a function of the rmsd to native of the two hairpins, obtained from the Monte Carlo simulations in two coarse-grained models, described in Methods . In the upper box the model accounts for both native and nonnative interaction, in the lower box the model contains only native interactions. In the insert of the upper box, we show the corresponding plot of the specific heat. The two shaded regions in the lower box identify the average location of the transition states obtained from DRP simulations.