Fig 7.

Molecular dynamics (MD) simulations of wild-type LinB_MI and LinB_UT. (A) Time course of C^α RMSDs from the initial structures of wild-type LinB_MI (green) and LinB_UT (black) during MD simulations. (B) Superposition of the crystal structure (gray and green) and the structure after the simulation (gray and yellow) of wild-type LinB_MI. (C) Superposition of the crystal structure (gray and black) and the structure after the simulation (gray and yellow) of wild-type LinB_UT. Green, black, and yellow in panels B and C indicate the most different regions observed between the crystal structures and the structures after the simulations (gray and yellow). (D) C^α RMSFs for LinB_MI (green) and LinB_UT (black) residues over the last 2-ns simulations.