Comparison of structural properties between reduced (group I), peroxide-sensitive (group II), and oxidized (group III) cysteine thiols. A, pKa values of cysteine thiols classified as reduced, peroxide-sensitive, or oxidized as predicted by PROPKA (version 2.0). Distribution of pKa values is significantly different among the three sets according to Kruskal-Wallis one-way analysis of variance (p value = 0.01). The median of each group is shown by a solid line. B, distribution of interatomic interactions between the identified cysteine thiols and residues found within a 3 Å distance in reduced (black bars), peroxide sensitive (light gray bars), and oxidized (dark gray bars) groups. C, prediction of disulfide bond-forming propensity according to PROPKA 2.0, which uses a S–S distance criterion of 2.5 Å. D, relative accessibility of cysteine thiols. E, STRIDE analysis of secondary structure elements harboring the identified cysteines. Crystal structures of the respective proteins were used as input (see supplemental Table S2). pos., positively; neg. negatively.