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Two-dimensional free energy profile (PMF) for the rotation about the dihedral angles as a function of χ1 and χ2. (A) F(î÷1,î÷2) for the ZnH2O2+-His system of the Y7F mutant of HCA II. (B) F(î÷1,î÷2) for the ZnOH+-HisH+ system of the Y7F mutant of HCA II.
