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. Author manuscript; available in PMC: 2022 Jul 25.
Published in final edited form as: Langmuir. 2022 Jun 7;38(24):7496–7511. doi: 10.1021/acs.langmuir.2c00471

Table 2:

Average structural properties of 2-, 4-, and 6-leaflet systems of CER NS C24/CHOL/FFA C24 with a molar ratio 1:0.5:1. Results are the average across all leaflets (the mean ± pooled standard deviation of four simulations), except for the fraction of extended CERs and the water molecules per lipid, which are calculated from the inner leaflets that do not contact bulk water.

2-leaflet 4-leaflet 6-leaflet
APL (Å2) 33.7 ± 0.2 33.40 ± 0.13 33.14 ± 0.08
Tilt Angle (°) 8 ± 5 8 ± 5 9 ± 5
Interdigitation (Å) 10.7 ± 0.2 10.13 ± 0.14 9.2 ± 0.3
Average Bilayer Thickness (Å) 50.82 ± 0.02 52.94 ± 0.06 53.81 ± 0.10
% CERs extended in inner leaflets -- 36.3 ± 1.9 35.3±0.7
Water molecules/lipid in inner leaflets -- 2.20 ± 0.05 2.8 ± 0.2