Table 3.
NMR structural restraints | |
Hydrogen bonds | 62 |
RDC Q‐Factor | 0.089 |
1DHNRDC | 36 |
RDC Correlation Coefficient (R) | 0.99 |
Root mean squared deviation from average structure | |
CaM backbone atoms | 0.6 Å ± 0.3 for 200 structures |
CaM backbone atoms (refined) | 0.6 Å ± 0.2 for 92 structures |
Haddock scoring | |
Cluster size | 200 |
Van der Waals energy | −56.8 ± 0.6 |
Electrostatic energy | −463.5 ± 20.7 |
Restraints violation energy | 99.8 ± 36.2 |
Ramachandran plot | |
Most favored regions | 89.8% |
Allowed regions | 8.0% |
Unfavored regions | 2.3% |