Fig. 5.
Tightening cluster contacts triggers switching by cracking. Sample trajectory of dual basin simulations at Tf(U) (A). Contacts specific to the native configuration are plotted in black, and unswapped contacts are plotted in red. Contacts that define the global fold and are shared between the two configurations are plotted in blue. The unswapped conformation must completely unfold before the native conformation can form. (B) Sample trajectory of dual basin simulations at Tf(U) with cluster-binding contacts tightened. MitoNEET is able to switch from the unswapped conformation to the native without completely unfolding. Cracking in shared contacts relieves strain and preserves the global fold.