Fig. 3

Result of structural dynamics of native CYP4F2 (black color) and variant V433M (red color) as a function of time obtained by 200 ns of the MD simulations. A) RMSD values, B) Rg values, C) SASA calculations, D) total number of H-bond count and E) Residual fluctuations of the Cα atoms as a function of residue number. The native form of CYP4F2 is shown in black and the V433M variant is in red. The gray and blue blocks show α-helices (indicate with letters) and β-strands (identify with numbers), respectively