Figure 7.

Structural stability of WT, S375G and S375E. A. Snapshots from MD trajectories taken at 0 (green structures) and after 50 ns (cyan) of simulation. WT and S375G remain assembled during the simulation time. In contrast, the phosphomimetic variant S375E disassembled and does not overlap with the initial conformation (B. Upper panel) Inter‐β‐strands, intra‐β‐sheet measurements from Cα to Cα between stacked residues. Edge (first and sixth) residues are excluded from the analysis. Yellow, dotted lines represent Cα–Cα distances between the upper and central strand. Red lines indicate the analogous distances between the central and lower strands. (B. Lower panel) Each of these distances was measured at each data point of the simulation, and they were all averaged and plotted. Whereas, WT and S375G inter‐strand distances remain constant over time, that of S375E increases as a result of disassembly.