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(A) Root mean square deviations of Cα backbones of WT and mutant CYP51C proteins as a function of time (20 ns). (B) Graph shows the average fluctuation of Cα atoms for each residue around the average structure of the protein. The black line stands for the WT molecular dynamics trajectory and the red line for the Y319H mutant dynamics trajectory. (C) Radius of gyration (Rg) of Cα of WT and CYP51C mutant protein as a function of time at 20 ns.
