Table 1. Systems simulated a .
| Peptide initial orientation | Membrane composition | Number of lipids b | Simulation length | P/L ratio | |
|---|---|---|---|---|---|
| MAG2 | Parallel | DMPC/DMPG 3:1 | 80 | 9 μs | 1:20 |
| MAG2 | Antiparallel | DMPC/DMPG 3:1 | 120 | 5 μs | 1:30 |
| PGLa | Parallel | DMPC/DMPG 3:1 | 120 | 5 μs | 1:30 |
| MG-H2 | Parallel | DMPC | 71 | 9 μs | ~1:18 |
| PGLa-MAG2 | Parallel | DMPC | 71 | 9 μs | ~1:18 |
| PGLa-MAG2 | Antiparallel | DMPC/DMPG 3:1 | 120 | 9 μs | 1:30 |
a Peptide sequences: MAG2: GIGKFLHSAKKFGKAFVGEIMNS; PGLa: GMASKAGAIAGKAIAK VALKAL-NH2; MG-H2: IIKKFLHSIWKFGKAFVGEIMNI
b Approximate cell sizes: 56x56x60 Å (71–80 lipids) and 66x66x74 Å (120 lipids).