Table 1.
Structural Statistics for the Ensemble of 20 NMR Structures of LpoAN
| NMR Distance and Dihedral Constraints | Number/Parameter |
|---|---|
| Distance Constraints | |
| Total unambiguous NOE restraints | 5,210 |
| Intraresidue | 1,826 |
| Interresidue | 3,384 |
| Sequential (|i – j| = 1) | 1,141 |
| Medium-range (|i – j| ≤ 5) | 1,225 |
| Long-range (|i – j| > 5) | 1,018 |
| Total ambiguous NOE restraints | 440 |
| Total Dihedral Angle Restraints | 426 |
| Backbone Φ | 213 |
| Backbone Ψ | 213 |
| Structure Calculation Statisticsa | |
| Restraints Violations | |
| Distance (>0.3 Å, >0.5 Å) | 41.95, 4.5 |
| Dihedral (>5°, >6°) | 13, 0 |
| Average pairwise root-mean-square deviation (Å)b | |
| Backbone atoms | 0.44 ± 0.06 |
| All heavy atoms | 0.63 ± 0.05 |
| Ramachandran Analysisb | |
| Residues in most favored regions (%) | 85.2 |
| Residues in additional allowed regions (%) | 13.6 |
| Residues in generously allowed regions (%) | 1.0 |
| Residues in disallowed regions (%) | 0.2 |
a
Pairwise deviations were calculated among 20 refined structures.
b
These values were calculated on residues 28–256 (according to numbering in wild-type LpoA).