Table 1. Structural statistics for the structure of Vpr-(52–96).
1 kcal=4.184 kJ.
| Parameter | Value | |
|---|---|---|
| Restraints for calculation | ||
| Total NOE restraints | 573 | |
| Intraresidue | 275 | |
| Sequential (|i=j|=1) | 128 | |
| Medium range (|i–j|≤4) | 148 | |
| Intermolecular | 22 | |
| Structure statistics | ||
| R.m.s.d. | ||
| Bonds (Å) | (1.87–2.38)×10−3 | |
| Bond angles (°) | 0.48–0.54 | |
| Improper torsions (°) | 0.36–0.38 | |
| NOE restraints (Å) | (1.76–2.41)×10−2 | |
| Final energies (kcal/mol) | ||
| Total | 136.43–186.09 | |
| Bonds | 5.33–8.69 | |
| Angles | 97.94–120.01 | |
| Improper angles | 15.76–17.97 | |
| Van der Waals | 8.18–27.41 | |
| NOE | 9.19–17.30 | |
| Ramachandran plot | ||
| Residues in most favourables regions (%) | 60.00 | |
| Residues in additional allowed regions (%) | 32.82 | |
| Residues in generously allowed regions (%) | 5.13 | |
| Residues in disallowed regions (%) | 2.05 | |
| Atomic r.m.s.d. (Å) on the backbone atoms | Vpr-(52–75) monomer* | Vpr-(52–75) dimer† |
| Pairwise | 0.90±0.22 | 1.40±0.30 |
| To mean structure | 0.88±0.14 | 1.30±0.15 |
* The superimposition was performed for both monomers of Vpr-(52–96) separately; results were the same for the two monomers.
† The superimposition was performed for both monomers.