TABLE 1.
Structural statistics for CTD-EF in Nav1.5
Restraints for calculation | |
Total NOE restraints | 2131 |
Intraresidue | 466 |
Sequential | 554 |
Medium range | 526 |
Long range | 585 |
Dihedral angle restraint | 51 |
Constraint violations, mean ± S.D. | |
Distance violations | |
0.1 Å < d < 0.2 Å | 1.6 ± 1.0 |
d > 0.2 Å | 0 |
Average maximum distance violations (Å) | 0.13 ± 0.03 |
Torsion angle violations >5.0° | 0 |
Average maximum torsion angle violations | 0 |
(degree) | |
AMBER energiesa, mean ± S.D. (kcal mol−1) | |
Restraint | 1.8 ± 0.4 |
van der Waals | −741 ± 8 |
Total molecular | −4021 ± 10 |
Precision, root mean square deviation from the mean (Å), ordered regionsb | |
Backbone | 0.47 ± 0.07 |
All heavy atoms | 1.09 ± 0.10 |
Ramachandran statisticsc(%) | |
Most favored | 86.8 |
Additionally allowed | 12.6 |
Generously allowed | 0.4 |
Disallowed (only for residues 1-16 and 55) | 0.2 |