Table 3. Minimum, maximum, mean, and standard deviation (SD) values of the maximum helix angle value observed using the BENDIX representation for to the different helices of the µOR structure from the 0.5 µs all-atom MD simulation.
Helix | Mean BENDIXangle (°) | Minimum BENDIXangle (°) | Maximum BENDIX angle (°) | SD of the BENDIX angle (°) |
H1 | 15.0 | 5.0 | 32.2 | 3.8 |
H2 | 27.8 | 9.1 | 53.6 | 6.1 |
H3 | 18.8 | 9.9 | 32.5 | 3.4 |
H4 | 32.5 | 13.9 | 49.6 | 4.8 |
H5 | 17.9 | 6.8 | 31.9 | 3.5 |
H6 | 28.5 | 14.2 | 42.6 | 3.8 |
H7 | 35.9 | 21.8 | 57.8 | 4.3 |