Table 2.
Summary of the data on NOE restraints and calculated structures
NOE restraints | ARD1 | ETD151 | ETD135 |
Intraresidue |j − i| = 0 | 371.3 | 364.0 | 325.2 |
Sequential |j − i| = 1 | 182.7 | 213.3 | 169.6 |
Medium range 2 ≤ |j − i| ≤ 4 | 97.7 | 121.0 | 89.7 |
Long-range |j − i| > 5 | 195.3 | 230.7 | 139.3 |
Total | 847 | 929 | 724 |
Unambiguous | 806 | 888 | 694 |
Ambiguous | 41 | 41 | 30 |
Quality of the calculated structures | |||
Distance violation >0.3 Å | 0 | 0 | 0 |
Pairwise RMS differences (Å) | |||
all-atoms | 1.90 ± 0.22 | 1.79 ± 0.14 | 2.54 ± 0.29 |
backbone Cα atoms | 0.89 ± 0.26 | 0.78 ± 0.11 | 1.43 ± 0.25 |
secondary structures (Cα atoms) | 0.64 ± 0.15 | 0.48 ± 0.08 | 0.79 ± 0.12 |
Helix (Cα atoms) | 0.36 ± 0.08 | 0.24 ± 0.09 | 0.36 ± 0.10 |
β-sheet (Cα atoms) | 0.46 ± 0.11 | 0.44 ± 0.09 | 0.69 ± 0.11 |
L1 loop (Cα atoms) | 0.45 ± 0.14 | 0.64 ± 0.18 | 0.42 ± 0.19 |
T2 turn (Cα atoms) | 0.42 ± 0.19 | 0.42 ± 0.19 | 1.83 ± 0.53 |