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. 2014 Jul 8;22(7):1047–1054. doi: 10.1016/j.str.2014.04.017

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 (|ij| = 1) 1,141
Medium-range (|ij| ≤ 5) 1,225
Long-range (|ij| > 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).