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. 2016 Feb 23;110(4):877–886. doi: 10.1016/j.bpj.2015.12.036

Figure 5.

Figure 5

Highly diverse structures of the mutant complexes just before protein separation occurs. Complexes are shown 5 ns before the final separation in two views superimposed on the initial WT complex structure (cluster 2 configuration; EphA2 in yellow and SHIP2 in blue). (a–d) One view is superimposed on the EphA2 domain (a and c) and the other is superimposed on the SHIP2 SAM domain (b and d). (a and b) For the three K956D/D1235K swap-mutant 1 separation trajectories, pink, violet, and light blue indicate SHIP2 SAM domain positions and orientations from trajectories started with clusters 1–3, respectively. Orange, pale yellow, and lemon indicate EphA2 SAM domains from the same trajectories. Mutant residue atoms are shown as VDW spheres (colored according to residue charge: red for positively charged and blue for negatively charged). (c and d) Separation trajectories for the R957D/D1223K swap-mutant 2 are depicted using the same color scheme as above; (d) shows a rotated view (rotated by +90° around the x axis relative to b) for clarity.