Figure 7.

All-atom correlated motions of the four active site configurations. Correlations indicate how atoms move together or opposite in a pairwise fashion, with 1 being perfect correlation (e.g., self-correlation along the diagonal) and –1 representing perfect anticorrelation. The thiol-binding configurations are 98% correlated with one another and have a large neighbor correlation in the turn–β sheet–turn region. Pockets of correlated regions appear near the zinc-binding cysteines in CYN, and CYN-ZN shows a strong α-helix signature.