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. 2014 Jun 3;23(8):1102–1112. doi: 10.1002/pro.2496

Figure 5.

Figure 5

(A) QM/MM partitioning scheme. Link atoms are marked by circled hydrogens. (B) Free energy profile for formation of the interdomain disulfide in RnQSOX1. The reaction coordinate (x-axis) is the antisymmetric stretch coordinate, defined as the difference between S–S bond distances: R(S452–S455)–R(S73–S452).