Figure 6.

2D PMFs as a function of root mean squared deviation (RMSD) and the second component of the gyration tensor (R_g²²) for H0. For the mapped AA system (H0-AA), the folded state is denoted in the red square (F) and the unfolded state (U), in purple. The Boltzmann inversion CG model of the unfolded state (H0-BI-U) captures the unfolded portion of the AA PMF, and the hENM CG model of the folded state (H0-BI-F) captures the folded portion of the AA PMF. The coupling term (V₁₂(Q)) is at a maximum in the transition region (RMSD = 0.45) as well as the portions of the PMF unsampled by H0-BI-U and H0-HENM-F.