Figure 6. Molecular dynamics simulations of gpW starting from 2L6Q and 1HYW structures.

RMSD as a function of time of the four MD simulations starting from our new gpW structure (2L6Q; shades of blue) and from the original structure (1HYW; shades of red). The inset is a blowup of the first 0.3 nanoseconds of the MD trajectories.