Figure 3:

The tICA landscapes of all eight sequences reveal the importance of metastable states with non-native salt-bridges. (a) For each sequence is shown a population density heat-map of simulation snapshots projected to the 2D tICA landscape defined by components tIC₁ and tIC₂. Open circles denote the cluster center of each of the 40 macrostates. Superimposed on the tICA landscape are pathways showing the ten highest-flux routes from an unstructured macrostate to the native folded state, with the highest-flux path displayed using a black bold line. Macrostates that participate in these pathways are labeled by macrostate index. (b) Representative structures of key macrostates stabilized by non-native salt-bridges (macrostates 11 and 20), and the native-state macrostate 13. The corresponding regions of the tICA landscape for these macrostates are circled and labeled.