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. 2018 May 8;114(9):2083–2094. doi: 10.1016/j.bpj.2018.03.027

Figure 2.

Figure 2

WT A1AT folding. (A) Changes in the WT radius of gyration, Rg, as a function of native contacts formed along a typical successful WT folding trajectory. Change points (34) are indicated by red diamonds. The A1AT structure colored by foldon and indicating the locations of the Z and S mutations and Lys290 is shown on the upper right. (B) A kinetic free-energy landscape generated from all frames in all WT LBTs that reach the native state is shown and colored according to population density from blue (low populations) to red (high populations). The arrows indicate fluxes between the labeled local minima, and arrow widths are proportional to the flux. Representative conformational ensembles from each of the labeled minima, harvested as described in the Supporting Materials and Methods, are shown to the right in gray with a single representative conformation colored as in (A).