TABLE 2.
Structural statistics of S. cerevisiae Rpn9
| Rpn9-NTD | Rpn9-PCI | Rpn9-ΔC | |
|---|---|---|---|
| Distance restraints | |||
| Total unambiguous NOEs | 3549 | 4340 | 8125 |
| Intraresidue | 1566 | 2379 | 3945 |
| Sequential (|i − j| = 1) | 496 | 908 | 1403 |
| Medium range (1 < |i − j| < 5) | 440 | 533 | 1108 |
| Long range (|i − j| > = 5) | 1047 | 520 | 1669 |
| Total ambiguous NOEs | 523 | 1101 | 1621 |
| Dihedral angle restraints | |||
| ϕ | 82 | 107 | 208 |
| ψ | 82 | 107 | 208 |
| RDC restraints | 67 | ||
| No. of restraint violations | |||
| Distance violations (>0.3 Å)a | 0 | 0 | 0 |
| Dihedral angle violations (>5°)b | 0 | 0 | 0 |
| Deviations from ideal geometry | |||
| Covalent bond lengths (Å) | 0.012 ± 0.001 | 0.012 ± 0.001 | 0.012 ± 0.001 |
| Covalent angles (degrees) | 1.79 ± 0.03 | 1.80 ± 0.03 | 1.80 ± 0.03 |
| r.m.s. deviation from mean structure (Å) | |||
| Secondary structure backbone atoms | 0.6 ± 0.1 | 0.8 ± 0.2 | 2.4 ± 1.1 |
| Secondary structure heavy atoms | 1.0 ± 0.1 | 1.1 ± 0.2 | 2.6 ± 1.1 |
| All backbone atoms | 1.6 ± 0.3 | 1.2 ± 0.2 | 2.9 ± 1.1 |
| All heavy atoms | 2.0 ± 0.2 | 1.6 ± 0.2 | 3.2 ± 1.0 |
| Ramachandran statistics (%) | |||
| Most favored regions | 89.4 | 89.4 | 88.4 |
| Additional allowed regions | 9.8 | 9.9 | 10.6 |
| Generously allowed regions | 0.4 | 0.5 | 0.6 |
| Disallowed regions | 0.4 | 0.1 | 0.4 |
| Energy (kcal/mol) | |||
| Mean AMBER energy | −9370.88 | −8900.17 | −19,246.37 |
| NOE restraint violation energy | 19.40 | 37.03 | 42.08 |
| Angle restraint violation energy | 0.49 | 0.35 | 1.01 |
| RDC restraint violation energy | 6.86 | ||
a The largest distance violations are 0.228, 0.256, and 0.299 Å for Rpn9-NTD, Rpn9-PCI, and Rpn9-ΔC, respectively.
b There are no angle violations for both Rpn9-NTD and Rpn9-PCI. For Rpn9-ΔC, there are two angle violations of 2.634 and 2.603°.