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Averaged free-energy profiles of pore opening of WT and F518K/Y563K mutant mTMEM16F. The distance between Cα atoms of inner gate residues F/K518 and I612 is chosen as the order parameter. The profiles were calculated using umbrella sampling (see materials and methods), and individual profiles from both monomers from two independent umbrella sampling calculations are shown in Fig. S4. To see this figure in color, go online.
