Table 3.
Phase-specific average numbers of H-bonds, charge pairs, and nonpolar contacts in a cholesterol molecule
LO phase | LD phase | |
---|---|---|
H-bonds | 1.5 (± 0.1) | 1.24 (± 0.2) |
Other polar pairs | 3.9 (± 0.1) | 4.6 (± 0.6) |
Nonpolar contacts | 83 (± 1) | 76 (± 2) |
Average numbers were calculated using equilibrium MD simulations (i.e., without the pulling of cholesterol out of the bilayer).