Figure 6.

(A) Principal component reduction of the lipid similarity SSIM matrix showing the first PC-1 and second PC-2 components. Each of the points represents a lipid from the simulations of 512 lipids and is colored according to the cluster it was assigned to. (Right) The first (most dominant) principal component from the lipid motion principal component analysis for $L_{\mathrm{d}}$ (B), $L_{\mathrm{d},\mathrm{s}}$ (C), $L_{\mathrm{o}}$ (D), and $L_{\mathrm{o},\mathrm{s}}$ (E). The key motion in the disordered conformations (B and C) adopts a similar scissoring/splaying tail motion. In contrast, the ordered conformations (D and E) adopt a twisting rotational motion. The color scheme goes from red to white to blue, showing the conformational change associated with the first principal component of the lipid motion. To see this figure in color, go online.