Fig. 3: Local structural flexibility is a key driver of oligomorphism.
From: Local structural flexibility drives oligomorphism in computationally designed protein assemblies
Overlaid molecular dynamics trajectories obtained for trimeric (dark) and dimeric (light) building blocks and the interfaces between them (a,e,i), respective root mean square fluctuations (r.m.s.f.) (b,f,j), internal angle distributions (c,d,g,h,k) and assembly models (c,d,g,h,l) for each observed species for KWOCA 18 (a–d), KWOCA 70 (e–h) and I32-10 (i–l). Internal angles within the molecular dynamics trajectory snapshots used to build the KWOCA 18 and KWOCA 70 models are highlighted with dashed lines in the respective angle distributions in c,d,g,h.
