Figure 6.

Kinase Residues Interacting with PIP₂ Molecules and the JM Region in the Tethered Kinase Simulations

Normalized frequency of contacts between the JM and kinase domains and the PIP₂-containing membrane for the main interaction mode (see Figures 5A and 5B). Red depicts interactions with PIP molecules, green with PS, and gray with PC. Orange bars indicate contacts between the JM and kinase domains. The inset illustrates contacts between the JM regions (Cα as orange spheres) and the surface of the kinase coded (white to orange) for the frequency of contacts to the JM. See also Figure S5 for the superimposition of the CG model onto the X-ray structure of the autoinhibited kinase EphB2. See also Figure S6 for a comparable analysis of the atomistic simulations of mode1 and mode2, and see Video S3.