Extended Data Fig. 5: Integrity of protein building blocks, interfaces, and domains along simulated MD trajectories.
From: Local structural flexibility drives oligomorphism in computationally designed protein assemblies
Overlay of individual 240 ns trajectories (blue to red) for (top) the trimeric building block and (bottom) the interface between neighboring trimers, as well as RMSD analysis of each domain (see Fig. 1f) along the trajectories (helical bundle/interface vs. helical domain) for (a) KWOCA 18 and (b) KWOCA 70. (c) For I32-10, 240 ns trajectories for the (top) trimer, (middle) dimer, and (bottom) dimer-trimer interface (blue to red) and (right) RMSD analysis for each domain along the trajectories are shown.
