Table 1.
Chol | 4Chol | PC-Chol50 | 4PC-Chol50 | |
---|---|---|---|---|
Area (Å2) | 38.0 ± 0.1 | 48.4 ± 0.5/PCa | 48.4 ± 0.2/PC | |
38.0 ± 0.2b | 37.9 ± 0.1 | 38.0/Chold | 38.0/Chold | |
~37.0c | ||||
| ||||
C-C dist. (Å) | 32.3 ± 2.6 | 32.4 ± 2.8 | 34.4 ± 2.8 | 34.6 ± 2.9 |
32.3 ± 2.8b | ||||
30.5 ± 3.7c | ||||
P-P dist. (Å) | 45.7 ± 2.7a | 45.7 ± 2.9 | ||
| ||||
Smol | 0.61 ± 0.01 | 0.61± 0.01 | 0.70 ± 0.01 | 0.69±0.01 |
0.61 ± 0.01b | ||||
| ||||
Tilt (°) | ||||
C3-C17 | 8.0; (10.7 ± 5.8) 8.3b; (11.0± 6.1)b | 7.8 (10.4 ± 5.6) | 9.1 (12.3 ± 6.9) | 9.3 (12.5 ± 7.1) |
C17-C25 | 13.4; (20.9 ± 12.5) 12.8b; (20.8 ± 12.7)b | 13.3 (20.4 ± 11.8) | 12.6 (17.3 ± 10.1) | 12.3 (17.3 ± 10.0) |
| ||||
#H-bonds/Chol | 2.29 ± 0.05 | 2.29 ± 0.03 | 1.68 ± 0.08 | 1.70 ± 0.04 |
2.29 ± 0.05b | ||||
| ||||
MSD(10 ns) (Å2) | 5.92 ± 1.2 | 5.95± 2.7 | 13.0 ± 4.8/Chol | 13.4 ± 4.3/Chol |
7.37 ± 3.3b | 18.5 ± 5.0/PC | 20.0 ± 4.8/PC |
Average values of the surface area available to the lipid (Area); distance between average positions of carbon C3 or phosphorus P atoms in the two leaflets of a bilayer (C-C dist.; P-P dist.); molecular order parameter, Smol, for the cholesterol hydrocarbon chains; tilt angle (Tilt) of the cholesterol rings (C3-C17) and chains (C17-C25); and number of Chol-water H-bonds per Chol (#H-bond/Chol); together with values of mean square displacement after 10 ns (MSD), in the Chol (Chol-2), and POPC-Chol50 bilayers as well as in the 4Chol and 4POPC-Chol50 bilayers. The errors are standard deviation estimates, except for Smol, where they are standard error estimates. For tilt, the most probable, and, in parentheses, the average and standard deviation values are given. For comparison, some values for the Chol crystal bilayers are also given.
From Ref. 19
Chol-2 bilayer
Chol crystal bilayer (anhydrous crystal)20
The value of AChol was fixed to the value obtained from the pure Chol bilayers