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. Author manuscript; available in PMC: 2023 Sep 21.
Published in final edited form as: Phys Chem Chem Phys. 2022 Sep 21;24(36):21773–21785. doi: 10.1039/d2cp02851d

Fig. 4.

Fig. 4.

The time-average β-sheet and helix propensity of each independent simulation. The time-averaged β-sheet a) or helical b) probability is computed for each independent simulation during the last 500 ns. Simulation trajectories are sorted according to the averaged β-sheet content from high to low. c) One helix-rich and one β-sheet-rich structures from the same top-ranked trajectory are shown for each molecular system.