Explicit-solvent all atom simulation of full-length (black lines) and truncated hFXN (red lines).

<p>(A) Root Mean Square Deviations (RMSD) and (B) Radius of gyration (Rg) were computed along the 100 ns of simulation. (C) The RMSF values per residue were computed from the equilibrated part of the trajectory, which was from 3 ns of simulation. (D) hFXN90–195 colored by the degree of flexibility of the backbone. Blue and green represents the least and most flexible regions of the backbone, respectively.