Figure 6.

The motion in simulation MD-R185M of the R185M mutant protein in the presence of substrate is shown along the first eigenvector obtained from essential dynamics analysis. The seven snapshots, at equidistant times along the trajectory, are color coded from blue (start of simulation) to red (end of simulation), and the arrows also indicate the direction of change with time. Secondary structure elements are labeled with single letters for α-helices and double letters for helix to helix loops. In addition to the elements shown to move around pw2a, there is also a similar magnitude of motion at the C terminus, the D/E and E/F loops, and the F-helix (particularly its N terminus).