Figure 12.

Evolution of the percentage of different conformations. The solid lines present the results from a CG-guided hybrid neMD-MC; the dashed lines are from equilibrium MD. The black solid line presents the reference percentage from Best et al.³⁸ The red and blue lines present simulations where the initial structure has an α-helix (Figure 4, right); magenta β sheet (Figure 4, left). Subplots a–d present the percentage of α, β, ppII, and L-α. The average percentage of residues 6–10 is shown. Subplot e presents the percentage of the α-helix. The structure contains an α-helix secondary structure when three successive residues are in α conformation.