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Stationary points for the nucleophilic attack of the Cys53-thiolate to the GSSG-disulfide with distances in angstroms (GSSG, TSredox1, and GSHlg···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.
