Figure - PMC

Skip to main content

An official website of the United States government

Here's how you know

Here's how you know

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.

View full-text article in PMC

. 2021 Jan 13;19:4. doi: 10.1186/s12915-020-00936-8

Search in PMC
Search in PubMed
View in NLM Catalog
Add to search

© The Author(s) 2021

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/. The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/) applies to the data made available in this article, unless otherwise stated in a credit line to the data.

PMC Copyright notice

Fig. 2. — Membrane structural properties. a Volumes per lipid, b areas per lipid in AA systems, and c areas per lipid in CG systems for all models including the volume and area expansivity coefficients. The error bars denote standard deviations over time intervals from all simulations of the given system at the given temperature. The linear fits of the Avanti and SimplePOM models are shown as full lines, whereas the linear fits of the SimplePVM and SimplePVJ models are shown as dashed lines. The SimplePVM AA APL value at 277 K and the APLs of SimplePVJ at 277 K and 285 K were excluded from the fit. The fit extrapolation of the remaining APLs till 277 K is shown as a thin dotted line. d Bilayer thickness and hydrophobic membrane thickness at AA (e) and CG (f) resolution of all investigated systems. For comparison, the experimental bilayer thickness of 4.1 ±0.3 nm [78] as well as the hydrophobic protein thickness of E. coli inner membrane proteins 2.97 ±0.19 nm as extracted from the OPM database [79] are shown as magenta lines. The standard error of the hydrophobic protein thickness from the OPM database is visualized as light gray area. Again, the thickness of SimplePVM at 277 K and SimplePVJ at 277 K and 285 K were excluded from the fit. g Fraction of trans dihedral angles in lipid tails (C2-C16) from all-atom simulations, the values of SimplePVM at 277 K and SimplePVJ at 277 K and 285 K were excluded from the fit. h Membrane area compressibility for all AA systems. The error bars denote standard errors of the mean of the individual simulations. As only a single repetition simulations were performed for test membrane models SimplePVM and SimplePVJ, no error bars are given for these systems. The membrane area compressibility values in case of the SimplePOM membrane were plotted against temperature values shifted by -1 K, and the values of SimplePVJ by 1 K, in order to increase the visibility of the data. i Lipid tail interdigitation quantified as the number of interleaflet contacts per tail for all AA systems and for a pure POPE bilayer at 308 K and a pure POPC bilayer at 300 K. The values of SimplePVM at 277 K and SimplePVJ at 277 K and 285 K were excluded from the fit. The values of the SimplePOM membrane were plotted against temperature values shifted by -1 K in order to increase the visibility of the data