Table 1.
ensemble of 12 structures | most representative structure | |
---|---|---|
RMSD from experimental constraints | ||
NOE distances (Å) | 0.018 ± 0.004 | 0.018 |
dihedral angles (deg) | 0.37 ± 0.05 | 0.38 |
rmsd from secondary structure | ||
bond (Å) | 0.0015 ± 0.0001 | 0.0015 |
angles (deg) | 0.33 ± 0.02 | 0.33 |
impropers (deg) | 0.35 ± 0.02 | 0.34 |
Restraint Data | |
---|---|
long-range NOEs (|i – j| > 4) | 174 |
medium-range NOEs (4 > |i – j| > 1) | 883 |
total NOEs | 1057 |
intra-residue | 457 |
sequential | 475 |
medium-range | 169 |
long-range | 246 |
hydrogen bond | 142 |
Ψ | 101 |
Φ | 100 |
NH backbone RDC restraints | 74 |
*From the average structure for backbone non-hydrogen atoms: 0.859 ± 0.01