Figure 5
Properties of Protein helice during MD simulations. (a) Motion analysis based on the PCA analysis in apo (pink color) and holo (gray color) form of CD36 WT and MT in presence of PLM. (b) The geometrical parameters used for the analysis of the upper helix conformations. The values of the rotation angle calculated for the upper helices are plotted as a function of time for one of the MD simulations of CD36 WT (I) and MT (II) in presence of PLM. The angle is estimated with respect to the original inward facing structure. The blue ticks in the source and on the side of the circles measured the angle value for the first and last trajectory frames respectively; the red line corresponds to the mean angle value along the trajectory. (c,d) Analyze a static peptide’s local angles along the length of the helix and heatmap color represented a angle-indicative graphics of CD36 wild type (c) and CD36 mutant type (d) in presence of PLM.
