Interfacial Properties of High-Density Lipoprotein-like Lipid Droplets with Different Lipid and Apolipoprotein A-I Compositions Artturi Koivuniemi, Marko.

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Interfacial Properties of High-Density Lipoprotein-like Lipid Droplets with Different Lipid and Apolipoprotein A-I Compositions Artturi Koivuniemi, Marko Sysi-Aho, Matej Orešič, Samuli Ollila Biophysical Journal Volume 104, Issue 10, Pages 2193-2201 (May 2013) DOI: 10.1016/j.bpj.2013.02.058 Copyright © 2013 Biophysical Society Terms and Conditions

Figure 1 Radial density profiles showing the distribution of core and surface lipids in lipid droplet simulations S0-S8 (above). (Black refers to POPC, red to CE, and purple to TG.) Snapshots from the end of simulations of S5 and S7 to visualize the distribution of core lipids in lipid droplets when surface pressure is increased (bottom). (Left simulation snapshots) Slice from the center of particles. (Right snapshots) Surface of droplets. (Gray sticks) POPC molecules. (Blue spheres) NC3 beads. (Red) Cholesterol esters. (Indigo) Triglycerides. (Green spheres) GLY (TG) beads. (Yellow spheres) ES (CE) beads. For clarity, the water beads were removed from the snapshots. Biophysical Journal 2013 104, 2193-2201DOI: (10.1016/j.bpj.2013.02.058) Copyright © 2013 Biophysical Society Terms and Conditions

Figure 2 Number of contacts between core lipid ES (CE) or GLY (TG) beads and water beads. The standard deviations for the number of contacts are two. Biophysical Journal 2013 104, 2193-2201DOI: (10.1016/j.bpj.2013.02.058) Copyright © 2013 Biophysical Society Terms and Conditions

Figure 3 Order parameters for POPC acyl chains in simulations S1–S6, SP2, and SP4. (Black lines) Pure lipid droplet simulations. (Red lines) Simulations in which apo A-Is are also present. Biophysical Journal 2013 104, 2193-2201DOI: (10.1016/j.bpj.2013.02.058) Copyright © 2013 Biophysical Society Terms and Conditions

Figure 4 Pressure profiles for lipid droplets in simulations: S1–S3, S5–S7, S0, S4, S8, SP2, and SP4. (Black lines) Transverse pT(r). (Red lines) Normal prr(r) components of the pressure. (Black points) POPC density maxima, which are taken from the data in Fig. 1. Biophysical Journal 2013 104, 2193-2201DOI: (10.1016/j.bpj.2013.02.058) Copyright © 2013 Biophysical Society Terms and Conditions

Figure 5 Autocorrelation functions for the contacts between W-ES (black or red) and W-GLY (purple) beads. Biophysical Journal 2013 104, 2193-2201DOI: (10.1016/j.bpj.2013.02.058) Copyright © 2013 Biophysical Society Terms and Conditions