Table 4. Numbers of residues in the helices (H1–H8), ILs, and ELs composing the different domains, i.e., D1 to D7, as determined with the GeoStaS algorithm applied to the 0.5 µs all-atom µOR MD simulation.
Domain | H1 | H2 | H3 | H4 | H5 | H6 | H7 | H8 | EL1 | EL2 | EL3 | IL1 | IL2 | IL3 | RMSF (Å) |
D1 [38] | 13 | 9 | 1 | 6 | 9 | 1.42 | |||||||||
D2 [74] | 13 | 12 | 9 | 8 | 10 | 6 | 16 | 0.73 | |||||||
D3 [24] | 5 | 1 | 12 | 6 | 0.94 | ||||||||||
D4 [54] | 7 | 13 | 8 | 8 | 14 | 4 | 0.65 | ||||||||
D5 [57] | 7 | 6 | 11 | 16 | 10 | 7 | 1.15 | ||||||||
D6 [31] | 4 | 3 | 5 | 5 | 10 | 4 | 1.14 | ||||||||
D7 [10] | 10 | 2.57 |
Numbers between brackets correspond to the total number of residues gathered in a domain. The last column reports the mean Root Mean Square Fluctuation (RMSF) per residue for each domain. The RMSF values were computed over all Cα atoms of the µOR.