Table 1.
KSR-1 CC-SAM | |
---|---|
NMR distance and dihedral constraints | |
Distance constraints | |
Total NOE | 3077 |
Intraresidue | 422 |
Interresidue | 2655 |
Sequential (|i − j| = 1) | 807 |
Medium range (|i − j| < 4) | 779 |
Long range (|i − j| > 5) | 1069 |
Structure statistics | |
Violations (mean ± SD)* | |
Distance constraints (Å) | 0.0201 ± 0.0008 |
Maximum distance constraint violation (Å) | 0.28 ± 0.04 |
Deviations from idealized geometry (mean ± SD)* | |
Bond lengths (Å) | 0.011± 0.000 |
Bond angles (°) | 1.35 ± 0.03 |
Impropers (°) | 1.45 ± 0.08 |
Average pairwise root mean square deviation (Å)* | |
Heavy | 1.21 ± 0.10 |
Backbone | 0.87 ± 0.15 |
Heavy (residues 33 to 58, 65 to 167) | 1.01 ± 0.08 |
Backbone (residues 33 to 58, 65 to 167) | 0.61 ± 0.10 |
Mean, SD, and pairwise root mean square deviation were calculated among the 10 lowest energy structural ensembles.