TABLE 1.
Calculated minimum energy orientation
| |||||
---|---|---|---|---|---|
PDB | Protein | Organism | Tilt angle (°) | z (Å) | ΔE (kcal/mol) |
1afo | Glycophorin A | Human red blood cell | 14 | 3.7 | −70.7 |
1cwq | Bacteriorhodopsin | Halobacterium salinarium | 30 | 1 | −29.9 |
1h68 | Sensory rhodopsin II | Natronomonas pharaonis | 3 | 0.7 | −86.6 |
1j4n | Aquaporin | Bovine red blood cell | 14 | 0.3 | −83.2 |
1rc2 | Aquaporin | Escherichia coli | 8 | 0.7 | −108.1 |
1kpk | Chloride channel homologue | E. coli | 3 | 3 | −90.5 |
1kpl | Chloride channel homologue | Salmonella typhimurium | 3 | 3.1 | −82.6 |
1cx2 | Cyclooxygenase-2 | Mouse | 0 | 36 | −95.3 |
The protein tilt angle, displacement of the center of mass with respect to the membrane center (z), and insertion energy (ΔE) are listed for all systems. The membrane center is located at z = 0 and negative z values correspond to shifts toward the extracellular side, whereas positive z values correspond to shifts toward the cytoplasm. For 1afo, 1j4n, 1rc2, 1kpk, 1kpl, and 1cx2, the tilt angle is given with respect to the multimer.