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. 2019 May 22;150(20):204702. doi: 10.1063/1.5091450

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Copyright © 2019 Author(s)

Published under license by AIP Publishing.

0021-9606/2019/150(20)/204702/15/$30.00

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FIG. 3. — Snapshots of (a) top and (b) side views of final configurations of a membrane system (MEM) and snapshots of (c) top and (d) side views of a membrane protein (C99) system. Systems are colored with DPPC (blue), DIPC (red), CHOL (gray), water (turquoise), NaCl (yellow), and proteins (green). Time evolutions of (e) binary mixing entropy [S_mix = −p₁ log₂(p₁) − p₂ log₂(p₂)], where p₁ and p₂ are contact probabilities between similar types of lipids and dissimilar types of lipids and (f) ratio of domain interface perimeter to membrane area (P/A) in last 2 µs of each simulation, where stable interfaces have formed showing averages (thick lines) and standard deviations (shaded). The time series are smoothed by performing running average over a 25 ns window. Simulated systems are color-coded and designated in the following manner. The membrane only system: black (MEM), C99 in membrane: green (C99), SX1A_Wildtype in membrane: brown (SX1A.WT), SX1A_Mutant in membrane: cyan (SX1A.M), WALP23 in membrane: indigo (WALP23), and WALP31 in membrane: magenta (WALP31) (see Table S2 for further details).