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. Author manuscript; available in PMC: 2019 Dec 27.
Published in final edited form as: J Am Chem Soc. 2019 Sep 13;141(38):15092–15101. doi: 10.1021/jacs.9b06064

Figure 8. Salt-bridge interactions of Glu310 impact the DFG flip.

Figure 8.

(a) Probability of forming the R409–E310 salt bridge in the DFG-in (blue) and DFG-out (red) states as a function of simulation pH. A representative snapshot of the R409–E310 salt bridge in a DFG-out state is shown on the top. (b) Probability of forming the R385–E310 salt bridge in the DFG-in (blue) and DFG-out (red) states as a function of simulation pH. A representative snapshot of the R385–E310 salt bridge in the DFG-in state is shown on the top. A salt bridge was considered present if the minimum distance between the carboxylate oxygens of Glu and the guanidinium nitrogens of Arg is at most 4 Å.