Fig. 6: Molecular dynamics simulations of Redβ177.

The sampled ensemble of apo (A), ssDNA-bound (B) and dsDNA-bound (C) states used in the molecular dynamics simulations. Trimeric systems with weak harmonic positional restraints on the backbone atoms of two outside protein chains and DNA were simulated. One hundred snapshots with a time interval of 10 ns from 1 μs simulations are shown. The structures were fitted to the backbone atoms for the monomer in the middle of the trimeric system. Blue, silver, and red colors correspond to early, mid and late time intervals, respectively.