KOU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | CA | sing | 1.51Å | 1.52Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| N | C4A | doub | 1.29Å | 1.31Å | |
| N | CA | sing | 1.46Å | 1.34Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| P | O2P | sing | 1.61Å | 1.50Å | |
| P | O1P | sing | 1.61Å | 1.60Å | |
| N1 | C6 | sing | 1.32Å | 1.32Å | Aromatic |
| C2 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| O3 | C3 | sing | 1.36Å | 1.37Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C4A | sing | 1.48Å | 1.39Å | |
| C5 | C5A | sing | 1.51Å | 1.53Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | OG | sing | 1.43Å | 1.42Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| OG | HOG | sing | 0.97Å | 0.95Å | |
| O1P | HO1P | sing | 0.97Å | 0.95Å | |
| C2A | C2 | sing | 1.51Å | 1.53Å | |
| C2A | H2A | sing | 1.09Å | 1.10Å | |
| C2A | H2AA | sing | 1.09Å | 1.10Å | |
| C2A | H2AB | sing | 1.09Å | 1.10Å | |
| O2P | HO2P | sing | 0.97Å | 0.95Å | |
| O3P | P | doub | 1.48Å | 1.58Å | |
| C4A | H4A | sing | 1.08Å | 1.08Å | |
| O4P | P | sing | 1.61Å | 1.60Å | |
| C5A | O4P | sing | 1.43Å | 1.47Å | |
| C5A | H5A | sing | 1.09Å | 1.10Å | |
| C5A | H5AA | sing | 1.09Å | 1.10Å | |
| OXT | HOXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C | OXT | 120.3° | 120.0° |
| C | CA | N | 116.2° | 109.5° |
| CA | C | O | 113.1° | 120.0° |
| C | CA | CB | 120.3° | 109.5° |
| C | CA | HA | 117.4° | 109.5° |
| OXT | C | O | 126.6° | 120.0° |
| C | OXT | HOXT | 109.5° | 117.0° |
| C4A | N | CA | 122.4° | 120.0° |
| N | C4A | C4 | 123.5° | 120.0° |
| N | C4A | H4A | 118.3° | 120.0° |
| N | CA | CB | 123.1° | 109.5° |
| N | CA | HA | 95.9° | 109.5° |
| O2P | P | O1P | 107.7° | 109.5° |
| P | O2P | HO2P | 109.5° | 114.0° |
| O2P | P | O3P | 114.7° | 109.4° |
| O2P | P | O4P | 112.7° | 109.5° |
| P | O1P | HO1P | 109.5° | 114.0° |
| O1P | P | O3P | 110.6° | 109.5° |
| O1P | P | O4P | 104.7° | 109.5° |
| C6 | N1 | C2 | 120.1° | 122.2° |
| N1 | C6 | C5 | 123.4° | 121.0° |
| N1 | C6 | H6 | 118.3° | 119.5° |
| N1 | C2 | C3 | 120.2° | 120.8° |
| N1 | C2 | C2A | 118.7° | 119.6° |
| C2 | C3 | C4 | 120.0° | 118.8° |
| C2 | C3 | O3 | 119.5° | 120.6° |
| C3 | C2 | C2A | 121.2° | 119.6° |
| C4 | C3 | O3 | 120.6° | 120.6° |
| C3 | C4 | C5 | 118.6° | 118.1° |
| C3 | C4 | C4A | 119.1° | 120.9° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C5 | C4 | C4A | 121.7° | 121.0° |
| C4 | C5 | C5A | 125.5° | 120.5° |
| C4 | C5 | C6 | 117.6° | 119.1° |
| C4 | C4A | H4A | 118.3° | 120.0° |
| C5A | C5 | C6 | 116.8° | 120.4° |
| C5 | C5A | O4P | 110.8° | 109.5° |
| C5 | C5A | H5A | 109.0° | 109.4° |
| C5 | C5A | H5AA | 109.0° | 109.4° |
| C5 | C6 | H6 | 118.3° | 119.5° |
| CB | CA | HA | 63.4° | 109.5° |
| CA | CB | OG | 103.9° | 109.5° |
| CA | CB | HB | 111.4° | 109.5° |
| CA | CB | HBA | 111.4° | 109.5° |
| OG | CB | HB | 111.4° | 109.5° |
| OG | CB | HBA | 111.4° | 109.5° |
| CB | OG | HOG | 109.5° | 114.0° |
| HB | CB | HBA | 107.5° | 109.5° |
| C2 | C2A | H2A | 109.5° | 109.5° |
| C2 | C2A | H2AA | 109.4° | 109.4° |
| C2 | C2A | H2AB | 109.4° | 109.5° |
| H2A | C2A | H2AA | 109.5° | 109.5° |
| H2A | C2A | H2AB | 109.5° | 109.4° |
| H2AA | C2A | H2AB | 109.5° | 109.4° |
| O3P | P | O4P | 105.9° | 109.5° |
| P | O4P | C5A | 120.7° | 123.0° |
| O4P | C5A | H5A | 109.0° | 109.5° |
| O4P | C5A | H5AA | 109.0° | 109.5° |
| H5A | C5A | H5AA | 109.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | C | OXT | O | 179.9° | 179.7° |
| C | CA | N | C4A | 173.3° | 120.0° |
| C | CA | N | CB | 173.5° | 120.0° |
| C | CA | N | HA | 124.5° | 120.0° |
| C | CA | CB | HA | 107.6° | 120.0° |
| C | CA | CB | OG | 83.3° | 55.0° |
| C | CA | CB | HB | 36.7° | 65.0° |
| C | CA | CB | HBA | 156.7° | 175.0° |
| CA | C | OXT | HOXT | 179.9° | 180.0° |
| OXT | C | CA | N | 178.1° | 180.0° |
| OXT | C | CA | CB | 4.4° | 60.0° |
| OXT | C | CA | HA | 69.3° | 60.0° |
| N | C4A | C4 | C3 | 13.4° | 0.0° |
| N | C4A | C4 | C5 | 176.1° | 180.0° |
| N | C4A | C4 | H4A | 180.0° | 179.9° |
| C4A | N | CA | CB | 13.2° | 120.0° |
| C4A | N | CA | HA | 48.8° | 0.0° |
| N | CA | C | O | 2.0° | 0.3° |
| CA | N | C4A | C4 | 167.1° | 180.0° |
| N | CA | CB | HA | 79.1° | 120.0° |
| N | CA | CB | OG | 90.0° | 65.0° |
| N | CA | CB | HB | 150.0° | 175.0° |
| N | CA | CB | HBA | 30.0° | 55.0° |
| CA | N | C4A | H4A | 12.9° | 0.0° |
| O | C | CA | CB | 175.7° | 119.7° |
| O | C | CA | HA | 110.6° | 120.3° |
| O | C | OXT | HOXT | 0.0° | 0.3° |
| O2P | P | O1P | O3P | 126.1° | 120.0° |
| O2P | P | O1P | O4P | 120.2° | 120.0° |
| O2P | P | O1P | HO1P | 126.1° | 60.0° |
| O2P | P | O3P | O4P | 125.0° | 120.0° |
| O2P | P | O4P | C5A | 73.2° | 175.0° |
| O1P | P | O2P | HO2P | 123.6° | 60.0° |
| O1P | P | O3P | O4P | 112.9° | 120.0° |
| O1P | P | O4P | C5A | 43.6° | 65.0° |
| C6 | N1 | C2 | C3 | 1.1° | 0.0° |
| N1 | C6 | C5 | C4 | 4.1° | 0.0° |
| N1 | C6 | C5 | C5A | 179.0° | 179.9° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C6 | N1 | C2 | C2A | 179.0° | 180.0° |
| N1 | C2 | C3 | C2A | 179.9° | 180.0° |
| N1 | C2 | C3 | C4 | 1.5° | 0.0° |
| N1 | C2 | C3 | O3 | 179.4° | 180.0° |
| C2 | N1 | C6 | C5 | 2.5° | 0.0° |
| C2 | N1 | C6 | H6 | 177.6° | 180.0° |
| N1 | C2 | C2A | H2A | 0.0° | 90.0° |
| N1 | C2 | C2A | H2AA | 120.0° | 150.0° |
| N1 | C2 | C2A | H2AB | 120.0° | 30.0° |
| C2 | C3 | C4 | O3 | 179.1° | 180.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 90.0° |
| C2 | C3 | C4 | C5 | 3.2° | 0.0° |
| C2 | C3 | C4 | C4A | 173.9° | 180.0° |
| C3 | C2 | C2A | H2A | 179.9° | 90.0° |
| C3 | C2 | C2A | H2AA | 60.1° | 30.0° |
| C3 | C2 | C2A | H2AB | 59.9° | 150.0° |
| C4 | C3 | O3 | HO3 | 0.9° | 90.0° |
| C3 | C4 | C5 | C4A | 170.5° | 180.0° |
| C3 | C4 | C5 | C5A | 179.1° | 180.0° |
| C3 | C4 | C5 | C6 | 4.3° | 0.0° |
| C4 | C3 | C2 | C2A | 178.6° | 180.0° |
| C3 | C4 | C4A | H4A | 166.6° | 180.0° |
| O3 | C3 | C4 | C5 | 177.8° | 180.0° |
| O3 | C3 | C4 | C4A | 7.0° | 0.1° |
| O3 | C3 | C2 | C2A | 0.5° | 0.0° |
| C4 | C5 | C5A | C6 | 176.7° | 180.0° |
| C4 | C5 | C6 | H6 | 176.0° | 180.0° |
| C5 | C4 | C4A | H4A | 3.9° | 0.0° |
| C4 | C5 | C5A | O4P | 62.7° | 180.0° |
| C4 | C5 | C5A | H5A | 177.3° | 59.9° |
| C4 | C5 | C5A | H5AA | 57.3° | 60.0° |
| C4A | C4 | C5 | C5A | 8.6° | 0.0° |
| C4A | C4 | C5 | C6 | 174.8° | 180.0° |
| C5A | C5 | C6 | H6 | 1.0° | 0.0° |
| C5 | C5A | O4P | P | 144.1° | 180.0° |
| C5 | C5A | O4P | H5A | 120.0° | 120.0° |
| C5 | C5A | O4P | H5AA | 120.0° | 120.0° |
| C5 | C5A | H5A | H5AA | 119.5° | 119.9° |
| C6 | C5 | C5A | O4P | 114.0° | 0.0° |
| C6 | C5 | C5A | H5A | 6.1° | 120.0° |
| C6 | C5 | C5A | H5AA | 126.0° | 120.0° |
| CA | CB | OG | HB | 120.0° | 120.0° |
| CA | CB | OG | HBA | 120.0° | 120.0° |
| CA | CB | HB | HBA | 122.3° | 120.0° |
| CA | CB | OG | HOG | 180.0° | 179.9° |
| HA | CA | CB | OG | 169.1° | 175.0° |
| HA | CA | CB | HB | 70.9° | 55.0° |
| HA | CA | CB | HBA | 49.1° | 65.0° |
| OG | CB | HB | HBA | 122.2° | 120.0° |
| HB | CB | OG | HOG | 60.0° | 59.9° |
| HBA | CB | OG | HOG | 60.0° | 60.1° |
| HO1P | O1P | P | O3P | 0.0° | 180.0° |
| HO1P | O1P | P | O4P | 113.7° | 60.0° |
| C2 | C2A | H2A | H2AA | 120.0° | 120.0° |
| C2 | C2A | H2A | H2AB | 120.0° | 120.1° |
| C2 | C2A | H2AA | H2AB | 120.0° | 120.0° |
| H2A | C2A | H2AA | H2AB | 120.0° | 119.9° |
| HO2P | O2P | P | O3P | 0.0° | 60.0° |
| HO2P | O2P | P | O4P | 121.4° | 179.9° |
| O3P | P | O4P | C5A | 160.6° | 55.0° |
| P | O4P | C5A | H5A | 95.9° | 60.0° |
| P | O4P | C5A | H5AA | 24.1° | 60.0° |
| O4P | C5A | H5A | H5AA | 119.4° | 120.0° |
