V53
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.23Å | |
| C | CAJ | sing | 1.48Å | 1.39Å | |
| CAJ | CAD | doub | 1.40Å | 1.40Å | Aromatic |
| CAJ | NAH | sing | 1.32Å | 1.34Å | Aromatic |
| O1 | P | doub | 1.48Å | 1.48Å | |
| CAD | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| C01 | P | sing | 1.82Å | 1.79Å | |
| C01 | O01 | sing | 1.43Å | 1.43Å | |
| NAH | CAM | doub | 1.33Å | 1.34Å | Aromatic |
| P | O3 | sing | 1.61Å | 1.47Å | |
| P | O2 | sing | 1.61Å | 1.47Å | |
| CAF | O01 | sing | 1.36Å | 1.36Å | |
| CAF | CAL | doub | 1.41Å | 1.39Å | Aromatic |
| CAM | CAL | sing | 1.42Å | 1.39Å | Aromatic |
| CAM | CA | sing | 1.42Å | 1.39Å | Aromatic |
| CAL | CAI | sing | 1.40Å | 1.39Å | Aromatic |
| N | CA | sing | 1.39Å | 1.34Å | |
| CA | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CAG | doub | 1.36Å | 1.39Å | Aromatic |
| CAK | CAG | sing | 1.39Å | 1.39Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| C | OXT | sing | 1.35Å | 1.35Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| H2 | N | sing | 0.97Å | 1.00Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| O2 | HPO2 | sing | 0.97Å | 0.95Å | |
| O3 | HPO3 | sing | 0.97Å | 0.95Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CAJ | 121.1° | 120.0° |
| O | C | OXT | 124.7° | 120.0° |
| C | CAJ | CAD | 121.2° | 119.2° |
| C | CAJ | NAH | 117.9° | 119.2° |
| CAJ | C | OXT | 114.2° | 120.0° |
| CAD | CAJ | NAH | 120.2° | 121.6° |
| CAJ | CAD | CAF | 118.4° | 119.6° |
| CAJ | CAD | HAD | 120.8° | 120.2° |
| CAJ | NAH | CAM | 122.0° | 121.6° |
| O1 | P | C01 | 101.1° | 109.5° |
| O1 | P | O3 | 114.1° | 109.5° |
| O1 | P | O2 | 114.2° | 109.5° |
| CAD | CAF | O01 | 124.0° | 121.0° |
| CAD | CAF | CAL | 119.9° | 118.0° |
| CAF | CAD | HAD | 120.8° | 120.2° |
| P | C01 | O01 | 109.6° | 109.4° |
| C01 | P | O3 | 103.4° | 109.5° |
| C01 | P | O2 | 105.2° | 109.5° |
| P | C01 | H1 | 109.4° | 109.5° |
| P | C01 | H3 | 109.5° | 109.4° |
| C01 | O01 | CAF | 114.5° | 117.0° |
| O01 | C01 | H1 | 109.4° | 109.5° |
| O01 | C01 | H3 | 109.4° | 109.5° |
| NAH | CAM | CAL | 119.9° | 120.2° |
| NAH | CAM | CA | 118.0° | 120.9° |
| O3 | P | O2 | 116.4° | 109.4° |
| P | O3 | HPO3 | 109.5° | 114.0° |
| P | O2 | HPO2 | 109.5° | 114.0° |
| O01 | CAF | CAL | 116.1° | 121.0° |
| CAF | CAL | CAM | 119.0° | 119.1° |
| CAF | CAL | CAI | 121.2° | 121.1° |
| CAL | CAM | CA | 121.2° | 119.0° |
| CAM | CAL | CAI | 119.8° | 119.8° |
| CAM | CA | N | 114.4° | 120.3° |
| CAM | CA | CAK | 118.2° | 119.4° |
| CAL | CAI | CAG | 119.0° | 120.0° |
| CAL | CAI | HAI | 120.5° | 120.0° |
| N | CA | CAK | 125.4° | 120.3° |
| CA | N | H | 109.5° | 120.0° |
| CA | N | H2 | 109.5° | 120.1° |
| CA | CAK | CAG | 120.3° | 120.8° |
| CA | CAK | HAK | 119.8° | 119.6° |
| CAI | CAG | CAK | 120.5° | 121.0° |
| CAI | CAG | HAG | 119.8° | 119.5° |
| CAG | CAI | HAI | 120.5° | 120.0° |
| CAG | CAK | HAK | 119.8° | 119.6° |
| CAK | CAG | HAG | 119.7° | 119.5° |
| H | N | H2 | 109.5° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H1 | C01 | H3 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CAJ | OXT | 179.5° | 179.7° |
| O | C | CAJ | CAD | 18.9° | 0.3° |
| O | C | CAJ | NAH | 170.3° | 179.7° |
| O | C | OXT | HXT | 0.0° | 0.2° |
| C | CAJ | CAD | NAH | 170.6° | 180.0° |
| C | CAJ | CAD | CAF | 174.2° | 180.0° |
| C | CAJ | NAH | CAM | 179.9° | 179.7° |
| CAJ | C | OXT | HXT | 179.5° | 179.9° |
| C | CAJ | CAD | HAD | 5.8° | 0.0° |
| CAJ | CAD | CAF | HAD | 180.0° | 179.9° |
| CAD | CAJ | NAH | CAM | 9.2° | 0.3° |
| CAJ | CAD | CAF | O01 | 177.2° | 180.0° |
| CAJ | CAD | CAF | CAL | 1.2° | 0.3° |
| CAD | CAJ | C | OXT | 161.6° | 180.0° |
| NAH | CAJ | CAD | CAF | 3.6° | 0.0° |
| CAJ | NAH | CAM | CAL | 9.7° | 0.3° |
| CAJ | NAH | CAM | CA | 178.6° | 179.7° |
| NAH | CAJ | C | OXT | 9.2° | 0.0° |
| NAH | CAJ | CAD | HAD | 176.4° | 179.9° |
| O1 | P | C01 | O3 | 118.3° | 120.1° |
| O1 | P | C01 | O2 | 119.1° | 120.0° |
| O1 | P | C01 | O01 | 171.9° | 60.0° |
| O1 | P | O3 | O2 | 136.3° | 120.0° |
| O1 | P | O2 | HPO2 | 0.0° | 180.0° |
| O1 | P | O3 | HPO3 | 0.0° | 59.9° |
| O1 | P | C01 | H1 | 68.0° | 180.0° |
| O1 | P | C01 | H3 | 51.9° | 60.0° |
| CAD | CAF | O01 | C01 | 0.4° | 0.3° |
| CAD | CAF | O01 | CAL | 176.0° | 179.7° |
| CAD | CAF | CAL | CAM | 0.8° | 0.3° |
| CAD | CAF | CAL | CAI | 178.3° | 179.7° |
| P | C01 | O01 | H1 | 120.0° | 120.0° |
| P | C01 | O01 | H3 | 120.1° | 119.9° |
| C01 | P | O3 | O2 | 114.8° | 120.0° |
| P | C01 | O01 | CAF | 169.2° | 75.0° |
| C01 | P | O2 | HPO2 | 109.9° | 60.0° |
| C01 | P | O3 | HPO3 | 108.9° | 180.0° |
| P | C01 | H1 | H3 | 119.9° | 120.0° |
| O01 | C01 | P | O3 | 53.6° | 180.0° |
| O01 | C01 | P | O2 | 68.9° | 60.0° |
| C01 | O01 | CAF | CAL | 175.7° | 180.0° |
| O01 | C01 | H1 | H3 | 119.9° | 120.0° |
| NAH | CAM | CAL | CAF | 4.5° | 0.0° |
| NAH | CAM | CAL | CA | 168.6° | 180.0° |
| NAH | CAM | CAL | CAI | 176.3° | 180.0° |
| NAH | CAM | CA | N | 15.0° | 0.0° |
| NAH | CAM | CA | CAK | 179.8° | 180.0° |
| O3 | P | O2 | HPO2 | 136.3° | 60.0° |
| O3 | P | C01 | H1 | 173.6° | 60.0° |
| O3 | P | C01 | H3 | 66.4° | 60.1° |
| O2 | P | O3 | HPO3 | 136.3° | 60.0° |
| O2 | P | C01 | H1 | 51.1° | 60.0° |
| O2 | P | C01 | H3 | 171.0° | 180.0° |
| O01 | CAF | CAL | CAM | 177.0° | 180.0° |
| O01 | CAF | CAL | CAI | 2.1° | 0.0° |
| O01 | CAF | CAD | HAD | 2.8° | 0.1° |
| CAF | O01 | C01 | H1 | 70.8° | 165.0° |
| CAF | O01 | C01 | H3 | 49.1° | 45.0° |
| CAF | CAL | CAM | CAI | 179.1° | 180.0° |
| CAF | CAL | CAM | CA | 173.1° | 180.0° |
| CAF | CAL | CAI | CAG | 179.0° | 180.0° |
| CAF | CAL | CAI | HAI | 1.0° | 0.0° |
| CAL | CAF | CAD | HAD | 178.7° | 179.7° |
| CAL | CAM | CA | N | 176.2° | 180.0° |
| CAL | CAM | CA | CAK | 11.4° | 0.1° |
| CAM | CAL | CAI | CAG | 1.9° | 0.0° |
| CAM | CAL | CAI | HAI | 178.1° | 180.0° |
| CA | CAM | CAL | CAI | 7.7° | 0.1° |
| CAM | CA | N | CAK | 163.5° | 180.0° |
| CAM | CA | CAK | CAG | 9.5° | 0.1° |
| CAM | CA | CAK | HAK | 170.5° | 180.0° |
| CAM | CA | N | H | 180.0° | 0.0° |
| CAM | CA | N | H2 | 60.0° | 179.9° |
| CAL | CAI | CAG | HAI | 180.0° | 179.9° |
| CAL | CAI | CAG | CAK | 0.1° | 0.0° |
| CAL | CAI | CAG | HAG | 179.9° | 180.0° |
| N | CA | CAK | CAG | 172.4° | 180.0° |
| N | CA | CAK | HAK | 7.6° | 0.1° |
| CA | N | H | H2 | 120.0° | 180.0° |
| CA | CAK | CAG | CAI | 4.0° | 0.0° |
| CA | CAK | CAG | HAK | 180.0° | 179.9° |
| CA | CAK | CAG | HAG | 176.0° | 180.0° |
| CAK | CA | N | H | 16.5° | 180.0° |
| CAK | CA | N | H2 | 103.5° | 0.0° |
| CAI | CAG | CAK | HAG | 180.0° | 180.0° |
| CAI | CAG | CAK | HAK | 176.0° | 180.0° |
| CAK | CAG | CAI | HAI | 179.9° | 180.0° |
| HAK | CAK | CAG | HAG | 4.0° | 0.1° |
| HAG | CAG | CAI | HAI | 0.1° | 0.1° |
