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Stationary points for the deprotonation of Cys56 with distances in angstroms (Cys56···WAT, TSdeprot, and GSHox–Cys53). Blue to red shades in atoms represent the most relevant changes in atomic charge relative to the GSSG state (from 0.07 to 0.30 a.u.). Blue stands for increase in atomic charge, and red stands for decrease in atomic charge.
