Table 2.
Structural statistics for Alk1-EDa
| Restraints | ||
| NOE distance restraints | ||
| Intraresidue ((|i−j|=0) | 533 | |
| Sequential (|i−j|=1) | 440 | |
| Short Range (2≤|i−j|≤5) | 177 | |
| Long Range (|i−j|>5) | 462 | |
| Dihedral restraints | ||
| φ | 44 | |
| ψ | 44 | |
| RDC restraints | ||
| 1DNH | 67 | |
| Coupling restraints | ||
| 3JHNHa | 47 | |
| Total Restraints | 1814 | |
| Deviation Among Ensemble | ||
| Bonds (Å) | 0.0054 ± 0.0003 | |
| Angles (degrees) | 0.72 ± 0.04 | |
| Impropers (degrees) | 2.1±0.2 | |
| Dihedral restraints (degrees) | 0.71±0.22 | |
| RDC 1DNH (Hz) | 0.58 ± 0.12 | |
| JHNα restraints (Hz) | 0.71 ± 0.10 | |
| Ramachandran Plotb | ||
| Most favored (%) | 60.1 | |
| Additionally allowed (%) | 33.9 | |
| Generously allowed (%) | 4.1 | |
| Disallowed (%) | 1.9 | |
| Precision | ||
| Secondary | Backboned | 0.33 |
| Structurec | Heavyd | 0.73 |
| Ordered | Backboned | 0.75 |
| Residuesc | Heavyd | 1.25 |
a
Structural statistics are calculated for the ensemble of ten lowest energy structures; backbone atoms include NH, Cα, and CO; heavy includes all non-hydrogen atoms
b
Calculated using the program PROCHECK (50)
c
Ordered corresponds to residues 10–82 and secondary structure corresponds to 12–14, 24–26, 30–36, 42–48, 54–56, and 66–69
d
Backbone atoms include NH, Cα, and CO; heavy includes all non-hydrogen atoms