Figure 7.
Molecular dynamics simulations of the αL and αM αI domains. A, RMSF of the Cα positions in a 60-ns MD simulation of the αI domain of αL WT or αL-F153A mutant in the open conformation. B, cartoon models of the open αL αI domains with Ala-153 and Phe-153. C, RMSF of the Cα positions in a 100-ns MD simulation of the αI domain of αM WT or αM-F156A mutant in the open conformation. D, cartoon models of the open αM αI domains with Ala-156 and Phe-156. To indicate the fluctuations of the Cα atoms, the RMSF values in the plots were converted to B-factor values and shown in the cartoon models with the Cα color and cartoon putty scaled based on the B-factors. The regions of interest are circled in the cartoons and indicated in the RMSF plots. The residues of interest are shown as green sticks with the dots representing van der Waals surface.