PVO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAE | CA | sing | 1.53Å | 1.43Å | |
| CA | C | sing | 1.51Å | 1.64Å | |
| CA | OAG | sing | 1.43Å | 1.50Å | |
| CA | OAF | sing | 1.43Å | 1.43Å | |
| C | O | doub | 1.21Å | 1.19Å | |
| CAE | H4 | sing | 1.09Å | 1.10Å | |
| CAE | H5 | sing | 1.09Å | 1.10Å | |
| CAE | H6 | sing | 1.09Å | 1.10Å | |
| OAG | H7 | sing | 0.97Å | 0.95Å | |
| OAF | H8 | sing | 0.97Å | 0.95Å | |
| C | OXT | sing | 1.34Å | 1.42Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAE | CA | C | 110.6° | 109.5° |
| CAE | CA | OAG | 117.5° | 109.5° |
| CAE | CA | OAF | 117.4° | 109.5° |
| CA | CAE | H4 | 109.5° | 109.5° |
| CA | CAE | H5 | 109.4° | 109.4° |
| CA | CAE | H6 | 109.5° | 109.4° |
| C | CA | OAG | 103.2° | 109.5° |
| C | CA | OAF | 105.8° | 109.5° |
| CA | C | O | 114.0° | 120.0° |
| CA | C | OXT | 114.7° | 120.0° |
| OAG | CA | OAF | 100.8° | 109.5° |
| CA | OAG | H7 | 109.5° | 114.0° |
| CA | OAF | H8 | 109.5° | 114.0° |
| O | C | OXT | 131.1° | 120.0° |
| H4 | CAE | H5 | 109.5° | 109.5° |
| H4 | CAE | H6 | 109.5° | 109.5° |
| H5 | CAE | H6 | 109.5° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAE | CA | C | OAG | 126.5° | 120.0° |
| CAE | CA | C | OAF | 128.1° | 120.0° |
| CAE | CA | OAG | OAF | 128.8° | 120.0° |
| CAE | CA | C | O | 170.7° | 125.0° |
| CA | CAE | H4 | H5 | 120.0° | 120.0° |
| CA | CAE | H4 | H6 | 120.0° | 120.0° |
| CA | CAE | H5 | H6 | 120.0° | 119.9° |
| CAE | CA | OAG | H7 | 145.8° | 180.0° |
| CAE | CA | OAF | H8 | 141.9° | 60.0° |
| CAE | CA | C | OXT | 13.7° | 54.7° |
| C | CA | OAG | OAF | 109.3° | 120.0° |
| CA | C | O | OXT | 174.7° | 179.7° |
| C | CA | CAE | H4 | 180.0° | 60.0° |
| C | CA | CAE | H5 | 60.0° | 180.0° |
| C | CA | CAE | H6 | 60.0° | 60.0° |
| C | CA | OAG | H7 | 23.9° | 60.0° |
| C | CA | OAF | H8 | 18.0° | 180.0° |
| CA | C | OXT | HXT | 174.6° | 179.7° |
| OAG | CA | C | O | 62.9° | 115.0° |
| OAG | CA | CAE | H4 | 61.9° | 60.0° |
| OAG | CA | CAE | H5 | 178.1° | 60.0° |
| OAG | CA | CAE | H6 | 58.1° | 180.0° |
| OAG | CA | OAF | H8 | 89.2° | 60.0° |
| OAG | CA | C | OXT | 112.7° | 65.3° |
| OAF | CA | C | O | 42.6° | 5.0° |
| OAF | CA | CAE | H4 | 58.5° | 180.0° |
| OAF | CA | CAE | H5 | 61.5° | 60.0° |
| OAF | CA | CAE | H6 | 178.5° | 60.0° |
| OAF | CA | OAG | H7 | 85.3° | 60.0° |
| OAF | CA | C | OXT | 141.8° | 174.7° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| H4 | CAE | H5 | H6 | 120.0° | 120.0° |
