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Conformational transitions of the partner C in the presence of the H3 tail when H4 tail is acetylated. (A) Time-dependence of flipping dihedral angle (defined in Figure 2D) during the 12 additional MD simulations of 500 ns, showing the transitions between the distinct states. (B), (C) and (D) are the best representative structures of these states. Each color in Figure 3A provides the time dependence of the flipping dihedral angle from one MD run of the 12 simulations.
