Figure 3
From: Molecular recognition of RAS/RAF complex at the membrane: Role of RAF cysteine-rich domain
RAS/RBD adopts two dominant orientations at the membrane. (a) Free energy (kJ/mol) contour map of membrane-anchored configurations of RAS/RBD from CG simulations, using as order parameters (i) the tilt of the G domain away from the bilayer normal, and (ii) the azimuthal angle at which this tilt occurs (see Supp. Fig. 7). Insets at the right show sample snapshots belonging to each of the two dominant membrane orientations observed in the simulations. RAS is shown using a multicolored tube representation, while a surface depiction is used for the RBD. The asterisk indicates a minor basin that appears to connect the two larger basins. (b) Bar plot showing the proportion of simulation snapshots belonging to the membrane orientations observed in the CG simulations of membrane-anchored RAS/RBD. Error bars give the s.e.m. from ten simulations.
