TABLE 1.
Summary of the structural statistics for RV2302a
| Parameter | Value |
|---|---|
| Restraints for structure calculations | |
| Total NOEs | 882 |
| Intraresidue NOEs | 324 |
| Sequential (i, i + 1) NOEs | 235 |
| Medium-range (i, i + j; 1 < j ≤ 4) NOEs | 93 |
| Long-range (i, i + j; j > 4) NOEs | 230 |
| Phi (Φ) angle restraints | 44 |
| Psi (Ψ) angle restraints | 45 |
| Hydrogen bond restraints | 60 |
| Structure calculations | |
| No. of structures calculated | 55 |
| No. of structures used in ensemble | 25 |
| Structures with restraint violations | |
| Distance restraint violations >0.1Å | 0 |
| Dihedral restraint violations | |
| >2° | 5 |
| >5° | 0 |
| RMSD to mean (Å) | |
| Backbone N-Cα-C=O atoms | |
| Ordered residuesb | 0.57 ± 0.17 |
| All residuesc | 1.28 ± 0.17 |
| Heavy atoms | |
| Ordered residuesb | 1.12 ± 0.20 |
| All residuesc | 1.87 ± 0.20 |
| All atoms | |
| Ordered residuesb | 1.37 ± 0.20 |
| All residuesc | 2.07 ± 0.19 |
| Ramachandran plots of ordered residues | |
| (all residues) | |
| Most favored regions (%) | 84 (77) |
| Additionally allowed regions (%) | 15 (20) |
| Generously favored regions (%) | 1 (2) |
| Disallowed regions (%) | 0 (1) |
a
All statistics are for the 25-structure ensemble deposited in the Protein Data Bank (PDB code 2A7Y).
b
Residues 2 to 11, 20 to 28, 35 to 51, and 57 to 75.
c
Residues 1 to 80.