Figure 3.
Root-mean-square deviation (RMSD) and root-mean-square fluctuation (RMSF) calculated using Cα atoms from simulations of AngII bound sACE (green) and Apo (blue). The red bars on the horizontal axis of the RMSF graph indicate the residues of subdomain I, showing its flexibility. RMSF was calculated after discarding the equilibration stage of the beginning of the MD simulations.