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Convergence of individual contributions to the free energy for the transformations between KGK and KAK in OppA. Upper left panel: KGK → KAK forward; upper right panel: KGK → KAK backward; lower right panel: KAK → KGK forward; lower left panel: KAK → KGK backward. Contributions to the free energy are separated for peptide-peptide (intra-peptide), peptide-protein, and peptide-solvent interactions as a function of simulation time per λ-point.
