Figure 4. RMSF profiles and PCA projections.

A. The Cα-RMSF profiles from MD trajectories of Gα_GTP ^WT (violet) and Gα_GTP ^G38D (green) are shown. They refer to the 100000 frames constituting the 100 ns trajectory. The secondary structure elements are shown on the abscissa, following the Noel's nomenclature [19]. B, C, D, E. The Cα-atom projections along the linear combination of the ED analysis-derived principal components, which describe the essential subspace of the trajectories of Gα_GTP ^WT (B and C) and Gα_GTP ^G38D (D and E) are shown (see text for an explanation of ED). The number of PCs used was 111 for Gα_GTP ^WT and 74 for Gα_GTP ^G38D. Cα-atom displacements are highlighted by color ranges from violet to blue for Gα_GTP ^WT, and from green to blue for Gα_GTP ^G38D.