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. Author manuscript; available in PMC: 2019 Mar 12.
Published in final edited form as: J Phys Chem B. 2017 Jan 17;121(3):508–517. doi: 10.1021/acs.jpcb.6b11094

Figure 5.

Figure 5.

Community networks formed in the WT NCS-1 (a), the R102H mutant (b) and the R102Hprotonated mutant (c) with edge widths corresponding to their weights based on MD simulations. Each community has its own color, superimposed on the initial MD simulation structure. The corresponding cartoon representations at t = 0 ns are shown in (d), (e) and (f).