Table 1.
NCP Trx-like domain (D208-N350)a | |
---|---|
NOE distance restraints | 6313 |
Short-range (|i − j| ≤ 1) | 2118 |
Medium-range (1 < |i − j| ≤4) | 1457 |
Long-range (|i − j| ≥ 5) | 2738 |
Dihedral angle constraintsc | 245 |
Target function value | 2.34 ± 0.05 |
Ramachandran plotd | |
Favored region (98%) | 88% |
Allowed region (>99.8%) | 12% |
Mean pairwise RMSD (RCBL Y210-V347) | |
Backbone | 0.29 ± 0.03 Å |
Heavy atoms | 0.65 ± 0.03 Å |
aNone of these structures exhibit distance violations greater than 0.4 Å or dihedral angle violations greater than 4°
bTwo constraints (dHN–O ≤ 2.5Å and dN–O ≤ 3.5Å) are used for each identified hydrogen bond
cDihedral angle constraints were generated by talos+ based on backbone atom chemical shifts76, and by analysis of NOE patterns
dMolProbity was used to assess the quality of the structures78