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. Author manuscript; available in PMC: 2021 Jan 28.
Published in final edited form as: ACS Chem Neurosci. 2016 Feb 10;7(3):286–296. doi: 10.1021/acschemneuro.5b00242

Figure 4.

Figure 4.

Free-energy landscape (kcal/mol) for wild-type (a) and I149P (b) hexamers at 310 K from the REMD simulations, plotted as a function of the number of interpeptide H-bonds and Rg.