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. Author manuscript; available in PMC: 2010 Dec 30.
Published in final edited form as: J Am Chem Soc. 2009 Dec 30;131(51):18208–18209. doi: 10.1021/ja907544b

Figure 3.

Figure 3

Potentials of mean force along a progress variable (r) equal to the difference qrotat and qext for oxoG extrusion by MutMWT with a protonated (red) or deprotonated (blue) E3 residue. The profiles for E3-COOH are shifted upward by 6.1 kcal/mol, the free energy required to protonate E3 residue at pH 7 (see Supporting Information). Indicated points correspond to points labeled in Fig. 2 and Fig. S5. The zero of free energy is that of the intrahelical state (IS).