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. Author manuscript; available in PMC: 2019 Mar 12.
Published in final edited form as: J Phys Chem B. 2017 Jan 17;121(3):508–517. doi: 10.1021/acs.jpcb.6b11094

Figure 9.

Figure 9.

Free energy surface (in kcal/mol) of the WT (a), the R102H mutant (b), the S83H mutant (c), the R102Hprotonated mutant (d), the S83Hprotonated mutant (e) as a function of PC1 and PC2 with PDB-obtained crystallographic structures mapped on.