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. 2018 Jul 23;7:e37342. doi: 10.7554/eLife.37342

Figure 9. Conformational changes of FH2 domains on the barbed ends of actin filament seven-mers during coarse-grained (CG) simulations.

Figure 9.

(A) Side and (B) bottom views of structures of Cdc12, Bni1, and mDia1 FH2 domains interacting with the barbed ends of actin filaments at the end (t = 2000 ns) of the CG simulations (dielectric constant of 3, replicate 2). (C) Time courses of the center-of-mass displacements of FHL domains from their initial positions (shown as percentage change) in the direction perpendicular to the long axis of the actin filaments. A positive percentage indicates a shift towards the actin filament (favors the ‘closed’ state), whereas a negative percentage indicates a shift away from the actin filament (favors the ‘open’ state). The shifting of a representative FHL domain in two different directions is schematically shown at the bottom.