Histograms of the RMSD values comparing the NMR ensembles and MD/LBMC simulated trajectories.

<p>Blue: RMSD values of the 20 homology models versus each other; Green: RMSD values of the 20 NMR structures versus each other; Red: RMSD values of the 20 homology models versus 20 NMR structures; Purple: RMSD values of every structure of the homology model simulation versus every structure of the NMR simulation, using LBMC; Cyan: RMSD values of every structure of the homology model simulation versus every structure of the NMR simulation, using MD. The vertical black line indicates the starting RMSD value between the homology model and the NMR structures simulated by MD or LBMC.