Table 1. Structural and NMR statistics of TF dimer.
Distance restraints* | |
---|---|
NOEs | |
Short range (intraresidue and sequential) | 870 |
Medium range (2 < | i-j | < 5) | 467 |
Long range ( | i-j | > 5 ) | 1230 |
Intermolecular | 54 |
Hydrogen bonds | 374 |
Dihedral angle restraints (cp and | 1358 |
Violations (mean and SD)* | |
Distance restraints (A) | 0.005 ± 0.025 |
Dihedral angle restraints (°) | 0.02 ± |
0.23 | |
Structural coordinates rmsd* | |
RBD core (1-39, 51-112) | |
Chain A | |
Backbone atoms | 1.50 ± 0. A |
All heavy atoms | 2.04 ± 0.29 A |
Chain B | |
Backbone atoms | 1.56 ± 0.41 A |
All heavy atoms | 2.07 ± 0.38 A |
PPD core (157-190,195-241) | |
Chain A | |
Backbone atoms | 0.87 ± 0.09 A |
All heavy atoms | 1.38 ± 0.07 A |
Chain B | |
Backbone atoms | 0.82 ± 0.14 A |
All heavy atoms | 1.30 ± 0.11 A |
SBD core (115-149, 250-321, 329-428) | |
Chain A | |
Backbone atoms | 1.40 ± 0.21A |
All heavy atoms | 2.17 ± 0.23 A |
Chain B | |
Backbone atoms | 1.34 ± 0.16A |
All heavy atoms | 2.14 ± 0.20 A |
Ramachandran plot* | |
Most-favored regions | 85.4% |
Additionally allowed regions | 14.3% |
Generously allowed regions | 0.3% |
Disallowed regions | 0.0% |
*The statistics apply to the 20 lowest-energy structures.