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. Author manuscript; available in PMC: 2017 Dec 13.
Published in final edited form as: J Chem Theory Comput. 2016 Nov 10;12(12):6130–6146. doi: 10.1021/acs.jctc.6b00757

Figure 5.

Figure 5

Amorim–Hennig (a) identified stable states of the system across the five concatenated trajectories. These clusters (c–f) are differentiated primarily by modes of the γ loop, shown at the bottom of each panel: the so-called “60s loop” shown in dark blue at the right of each panel and exosite II shown at the top of each panel. HDBSCAN (b) identified transient states among these stable states (Supporting Information, Figure S4).