Table 4. Average Rhodopsin Tilt Angle and Average Number of POPC–Rhodopsin Contacts Calculated for Simulations with MARTINI 2.2P and MARTINI 2.3P.
MARTINI version | v2.2P | v2.3P | percentage difference (%) | |
---|---|---|---|---|
tilt angle (deg) | 16.1 ± 0.4 | 15.6 ± 0.7 | 3.2 | |
type of contacts | head-protein | 319 ± 8 | 334 ± 6 | 4.6 |
tail-protein | 736 ± 8 | 741 ± 4 | 0.7 | |
head-aromatic residues | 63 ± 2 | 68 ± 1 | 7.6 | |
tail-aromatic residues | 331 ± 4 | 335 ± 2 | 1.2 |