Table II.
Distance restraints | |
Total NOE | 1232 |
Short-range | 320 |
Medium-range | 411 |
Long-range | 501 |
Hydrogen bond restraintsa | 36 |
Dihedral angle constraintsb | |
φ | 44 |
ψ | 44 |
Mean CYANA target function | 0.98 |
Ramachandran plot statistics (%) | |
Most favored regions | 78.5 |
Additionally allowed regions | 20.3 |
Generously allowed regions | 1.0 |
Disallowed regions | 0.2 |
RMSDs to mean structure (residues) Å | |
Backbone atoms (N, Cα, C′, O) | 0.48 ± 0.15 |
All heavy atoms | 0.99 ± 0.15 |
Hydrogen-bond constraints were derived from H-D exchange experiments [Fig. 3(C)] and implemented as two upper (HN-O 2.5 Å, N-O 3.6 Å) and two lower (HN-O 1.5 Å, N-O 2.4 Å) distance constraints for each hydrogen bond.
Backbone φ and ψ dihedral constraints determined with TALOS.