Fig. 7

Molecular Trajectories and Structural Comparisons of Wildtype and Mutant Proteins in MD Simulation. A Snapshots of molecular trajectories for the three proteins at both the initial and final frames of the simulation are superimposed and color-coded, with the initial frame marked in green and the final frame in red. B Quantitative analysis of eight principal secondary structures (coil, β-sheet, β-bridge, bend, turn, α-helix, 5-helix, and 3-helix) in the wildtype and the two mutants, p.Trp691Cys and p.Pro1431Argfs*8. C The figure displays snapshots of molecular trajectories at the final frame of the simulation, comparing the wildtype and two mutant proteins. The wildtype protein is marked in grey, while the two mutant proteins are denoted in green