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Mutational energies of rGID* predicted by FoldX in the context of three binding sites: (A) α4(+)α4(−), (B) α3(+)α3(−) and (C) α7(+)α7(−). Predicted mutational energies are averages over 300 frames extracted from three molecular dynamics simulations. Standard deviations of these predictions are provided in Tables S6–S8.
