Fig. S5.

Breakdown of the interresidue distances for (A) the pairs used in the S-S restraints (yields ≥ 20%), (B) the pairs not considered (yields < 20%), and (C) the average distance between C^βs (C^α for Gly) as a function of the S-S yields during the restraint MD in vacuo (initial modeling). (D) Average restraint energies and Trp contact numbers for each group during the MD in vacuo (initial modeling). The 100 snapshots from the 25-ns MD in vacuo were selected and energy-minimized with steepest descent (3,000 steps) and conjugate gradient (3,000 steps) methods. Then, the averaged distances and the restraint energies were calculated.