Figure 1.

Schematic of the mixed angular-radial three-particle correlation function applied to a single carbon in a DPPC acyl chain/lipid tail. A central atom (blue) and its nearest neighbor atom (orange) are selected. The angle formed between the three atoms with the central atom at the apex, $\theta$, and the distances between the central atom and the selected atoms, $r$, are calculated. This is repeated for all target atoms within the cutoff (dashed line). Three key structural contributions are shown here with an example target atom in red. The “same-side” tail (A), “opposite-side” tail (B) and “other” tail (C). Below each diagram the locations of the main contribution to the probability distribution by each of these different tail contributions are indicated (D, E, and F, respectively). The same tail contributions are marked with arrows, labeled showing the peak density and contributing atom (from the central atom shown). The “other” tail is much more diffuse and contributions from single atoms are less resolvable, so this is indicated by the black ellipse showing the contributed region. The same-side contributions are radially offset relative to the opposite side because the nearest neighbor atom is not included. To see this figure in color, go online.