Fig. 4.

Single basin modeling. Order of unfolding for the unswapped and native configurations of mitoNEET within one protomer. The unswapped configuration of mitoNEET (A and B) and native configuration (D and E) are colored by groups of contacts examined. Pink represents contacts present in loop1, green represents contacts present in the β-sheet (β2, β3, β1, and β2, β3, β1′), blue represents contacts within the cluster-binding pocket and between the two pockets. Regions in black are not plotted and are shown for reference. The average fraction of these subsets of contacts formed as a function of Q_total for the unswapped configuration (C) and the native configuration (F). In both cases, the cluster-binding pocket is the last to unfold. In the native configuration, contacts in L1 exhibit backtracking. These contacts break early but begin to reform as the β-sheet breaks, and finish breaking late in unfolding. In the unswapped configuration, backtracking is lost. Contacts in L1 are the first to unfold followed by contacts in the β-sheet.