Fig002

Various probability distribution functions aggregated over all production MD simulations. (A) Cα Distance between Cys147 and Cys204. (B) Psi dihedral angle of Cro66 (i.e., between atoms N3-CA3-C3-N). (C-H) Distance from a hydrogen atom from the specified residue to the closest acceptor atom on Cro66. All x-axes are from 1.0 to 8.0 Å unless specified otherwise.