Fig. 7.

Gating of the H3-pocket entrance by the Lys triad and changes upon H3-histone binding. (A) Normalized probability distributions of the minimum distance between Lys359, Lys357, and Lys355 with residues Asp375, Glu376, and Glu379 located on the opposite side of the gate are displayed from unbound (black lines) and bound (red lines) 0.5-μs simulations. Minimum distances were calculated using all atoms in each residue pair. (B) Ramachandran’s plots for Lys triad polypeptide backbone sampling. See Fig. 6 for graphical representations of the residues considered.