Table 1.
Structural statistics for the DFF40/45 CIDE complex
| Measurement | Value |
|---|---|
| Nondegenerative NOE distance restraints | |
| All | 1,665 |
| Intra-residue | 654 |
| Sequential (|i − j| = 1) | 464 |
| Medium-range (|i − j| ≤ 4) | 161 |
| i, i + 2 | 68 |
| i, i + 3 | 56 |
| i, i + 4 | 37 |
| Long-range (|i − j| ≥ 5) | 118 |
| H bonds* | 76 |
| Dihedral angle constraints† | 515 |
| Ramachandran plot‡ | |
| Most favorable region, % | 77.0 |
| Additionally allows region, % | 22.3 |
| Generously allowed region, % | 0.7 |
| Disallowed region, % | 0.0 |
| Average RMSD to the mean structure | |
| Backbone (residue 7-79 of DFF40 and 20-96 of DFF45), Å | 0.39 |
| Heavy atoms (residue 7-79 of DFF40 and 20-96 of DFF45), Å | 0.84 |
None of these structures exhibit distance violations greater than 0.4 Å or dihedral angle violations greater than 5°.
*
Hydrogen bond for α-helices was added only at the late stage of structural calculations for residues with characteristic HN(i)-Hα(i − 3, i − 4) NOEs observed in the three-dimensional 15N-NOESY-HSOC spectrum.
†
Dihedral angle constraints were generated with dyana (18) based on 3JHNHα couplings, Cα chemical shifts (19), and NOE constraints.
‡
procheck_NMR (26) was used to assess the quality of the structures.