Table 1.
No. of distance restraints | 1542 | |
Intraresidue (i=j) | 436 | |
Sequential (|i−j|=1) | 445 | |
Medium range (1<|i−j|<4) | 242 | |
Long range (|i−j|>4) | 307 | |
Intermolecular | 112 | |
Total dihedral angle restraints | 227 | |
ϕ angles | 113 | |
ψ angles | 114 | |
Violations | ||
NOE violations >0.4 Å | 2 | |
Dihedral violations >5° | 2 | |
Deviations from ideal geometrya | ||
Bonds (Å) | 0.002549±0.00003 | |
Angles (deg) | 0.583±0.003 | |
Impropers (deg) | 0.409±0.003 | |
Average RMSD to mean atomic coordinates (Å) | Ordered regionsb | Total |
Backbone (N, Cα, C′) | 1.13 | |
All heavy atoms | 1.68 | |
Ramachandran plotc | ||
Most favored (%) | 80 | 73.9 |
Additionally allowed (%) | 13.5 | 17.7 |
Generously allowed (%) | 4.7 | 6.1 |
Disallowed (%) | 1.7 | 2.2 |
The values for the bonds, angles, and impropers show the deviations from ideal values based on perfect stereochemistry.
Ordered regions were considered as 1–15 (SOCS box), 1–82 (eloB), 17–44 and 59–112 (eloC).
As determined by the program PROCHECK-NMR for all residues except Gly and Pro.