Figure 1. Calculated pKa and sulfur atom exposure of known NO-Cys sites.
The model index number (X-axis) follows the order of proteins listed in the text and detailed in Table S1, given as Supplementary Information. Sulfur atom exposure (related numerical values in the Y-axis, in Å2) is shown by red circles and pKa values (in pK units) by blue circles. In the right panel, the calculated average pKa for NO-Cys (with standard deviation) is compared with those of catalytic Cys in thiol oxidoreductases (ThiolOxR) and other enzymes containing catalytic Cys (Other OxR).