Table 2.
Structural statistics of OmpX in phospholipid nanodiscs and DPC
| OmpX in nanodiscs | OmpX in DPC | |
|---|---|---|
| Structural information | ||
| HN-HN NOEs (inter-strand contacts) | 58 | 50 |
| Hydrogen bond restraints | 67 | 65 |
| Dihedral angle restraints (TALOS21) | 291 | 275 |
| Backbone rmsd for β-sheets (Å)+ | 0.32±0.16 | 0.30±0.14 |
| Backbone rmsd for all residues (Å) | 1.32±0.31 | 1.72±0.33 |
| Ramachandran map analysis$ | ||
| Most favored regions | 93.4% | 90.2% |
| Additionally allowed regions | 4.1% | 9.0% |
| Generously allowed regions | 1.6% | 0.8% |
| Disallowed regions | 0.8% | 0.0% |
| Deviations from restraints and idealized geometry | ||
| Distance restraints (Å) | 0.039 ±0.001 | 0.044 ±0.0008 |
| Dihedral angle restraints (°) | 0.127 ±0.007 | 0.236±0.01 |
| Bonds (Å) | 0.0021 ±0.00006 | 0.0023 ±0.00008 |
| Angles (°) | 0.61±0.01 | 0.65±0.01 |
| Impropers (°) | 1.52±0.07 | 2.35±0.06 |
*
Analysis of the 20 lowest-energy structures.
+
ordered secondary structure elements were used for structural superimposition: 3–14, 20–30, 38–48, 60–71, 78–90, 104–115, 122–132, 135–147; r.m.s.d. values are calculated relative to a non-minimized average structure of each ensemble.
$
Ramachandran analysis with PROCHECK-NMR25 was performed on the lowest-energy structure.