02O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| C40 | C41 | sing | 1.53Å | 1.53Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| C41 | H41B | sing | 1.09Å | 1.10Å | |
| C37 | C40 | sing | 1.51Å | 1.55Å | |
| C40 | C42 | sing | 1.53Å | 1.53Å | |
| C40 | C43 | sing | 1.53Å | 1.53Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C42 | H42A | sing | 1.09Å | 1.10Å | |
| C42 | H42B | sing | 1.09Å | 1.10Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C43 | H43A | sing | 1.09Å | 1.10Å | |
| C43 | H43B | sing | 1.09Å | 1.10Å | |
| N38 | C37 | doub | 1.30Å | 1.33Å | Aromatic |
| N36 | C37 | sing | 1.35Å | 1.34Å | Aromatic |
| C1 | N36 | doub | 1.31Å | 1.35Å | Aromatic |
| O39 | N38 | sing | 1.21Å | 1.41Å | Aromatic |
| O39 | C1 | sing | 1.34Å | 1.35Å | Aromatic |
| CB | C1 | sing | 1.51Å | 1.53Å | |
| CB | CA | sing | 1.53Å | 1.51Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| C | OXT | sing | 1.34Å | 138.47Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 121.2° | 120.0° |
| O | C | OXT | 39.3° | 120.0° |
| C | CA | CB | 111.1° | 109.4° |
| C | CA | N | 113.0° | 109.5° |
| C | CA | HA | 105.1° | 109.4° |
| CA | C | OXT | 106.7° | 120.0° |
| C40 | C41 | H41 | 109.5° | 109.5° |
| C40 | C41 | H41A | 109.4° | 109.5° |
| C40 | C41 | H41B | 109.5° | 109.5° |
| C41 | C40 | C37 | 109.3° | 109.5° |
| C41 | C40 | C42 | 108.8° | 109.5° |
| C41 | C40 | C43 | 111.5° | 109.5° |
| H41 | C41 | H41A | 109.5° | 109.4° |
| H41 | C41 | H41B | 109.4° | 109.5° |
| H41A | C41 | H41B | 109.5° | 109.5° |
| C37 | C40 | C42 | 108.5° | 109.5° |
| C37 | C40 | C43 | 109.6° | 109.4° |
| C40 | C37 | N38 | 123.1° | 126.3° |
| C40 | C37 | N36 | 127.1° | 126.2° |
| C42 | C40 | C43 | 109.0° | 109.4° |
| C40 | C42 | H42 | 109.5° | 109.4° |
| C40 | C42 | H42A | 109.5° | 109.5° |
| C40 | C42 | H42B | 109.5° | 109.5° |
| C40 | C43 | H43 | 109.5° | 109.4° |
| C40 | C43 | H43A | 109.5° | 109.5° |
| C40 | C43 | H43B | 109.5° | 109.5° |
| H42 | C42 | H42A | 109.4° | 109.4° |
| H42 | C42 | H42B | 109.5° | 109.5° |
| H42A | C42 | H42B | 109.5° | 109.5° |
| H43 | C43 | H43A | 109.4° | 109.5° |
| H43 | C43 | H43B | 109.5° | 109.5° |
| H43A | C43 | H43B | 109.5° | 109.5° |
| N38 | C37 | N36 | 109.8° | 107.5° |
| C37 | N38 | O39 | 107.1° | 110.3° |
| C37 | N36 | C1 | 108.1° | 105.5° |
| N36 | C1 | O39 | 109.1° | 106.9° |
| N36 | C1 | CB | 130.5° | 126.5° |
| N38 | O39 | C1 | 106.0° | 109.8° |
| O39 | C1 | CB | 120.4° | 126.5° |
| C1 | CB | CA | 107.8° | 109.4° |
| C1 | CB | HB1 | 110.0° | 109.5° |
| C1 | CB | HB2 | 110.0° | 109.4° |
| CA | CB | HB1 | 110.0° | 109.5° |
| CA | CB | HB2 | 110.0° | 109.5° |
| CB | CA | N | 107.0° | 109.5° |
| CB | CA | HA | 111.3° | 109.5° |
| HB1 | CB | HB2 | 108.9° | 109.5° |
| N | CA | HA | 109.3° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| H | N | H2 | 109.5° | 111.0° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 40.3° | 179.7° |
| O | C | CA | CB | 93.1° | 100.3° |
| O | C | CA | N | 27.3° | 19.8° |
| O | C | CA | HA | 146.4° | 139.8° |
| O | C | OXT | HXT | 90.0° | 0.3° |
| C | CA | CB | C1 | 167.0° | 175.0° |
| C | CA | CB | N | 123.9° | 120.0° |
| C | CA | CB | HA | 116.7° | 119.9° |
| C | CA | CB | HB1 | 47.0° | 55.0° |
| C | CA | CB | HB2 | 73.0° | 65.1° |
| C | CA | N | HA | 116.6° | 120.0° |
| C | CA | N | H | 180.0° | 63.9° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| C | CA | N | H2 | 60.0° | 60.0° |
| C40 | C41 | H41 | H41A | 120.0° | 120.0° |
| C40 | C41 | H41 | H41B | 120.0° | 120.1° |
| C40 | C41 | H41A | H41B | 120.0° | 120.1° |
| C41 | C40 | C37 | C42 | 118.5° | 120.0° |
| C41 | C40 | C37 | C43 | 122.5° | 120.0° |
| C41 | C40 | C42 | C43 | 121.8° | 120.0° |
| C41 | C40 | C42 | H42 | 180.0° | 60.0° |
| C41 | C40 | C42 | H42A | 60.0° | 179.9° |
| C41 | C40 | C42 | H42B | 60.0° | 60.0° |
| C41 | C40 | C43 | H43 | 180.0° | 60.0° |
| C41 | C40 | C43 | H43A | 60.0° | 180.0° |
| C41 | C40 | C43 | H43B | 60.0° | 59.9° |
| C41 | C40 | C37 | N38 | 94.0° | 120.3° |
| C41 | C40 | C37 | N36 | 86.7° | 60.0° |
| H41 | C41 | H41A | H41B | 120.0° | 119.9° |
| H41 | C41 | C40 | C37 | 180.0° | 60.0° |
| H41 | C41 | C40 | C42 | 61.7° | 60.0° |
| H41 | C41 | C40 | C43 | 58.6° | 180.0° |
| H41A | C41 | C40 | C37 | 60.0° | 60.0° |
| H41A | C41 | C40 | C42 | 178.3° | 180.0° |
| H41A | C41 | C40 | C43 | 61.4° | 60.0° |
| H41B | C41 | C40 | C37 | 60.0° | 180.0° |
| H41B | C41 | C40 | C42 | 58.3° | 60.0° |
| H41B | C41 | C40 | C43 | 178.6° | 60.0° |
| C37 | C40 | C42 | C43 | 119.3° | 119.9° |
| C37 | C40 | C42 | H42 | 61.2° | 179.9° |
| C37 | C40 | C42 | H42A | 178.9° | 60.0° |
| C37 | C40 | C42 | H42B | 58.9° | 60.1° |
| C37 | C40 | C43 | H43 | 58.8° | 60.0° |
| C37 | C40 | C43 | H43A | 61.2° | 60.0° |
| C37 | C40 | C43 | H43B | 178.8° | 180.0° |
| C40 | C37 | N38 | N36 | 179.5° | 179.8° |
| C40 | C37 | N36 | C1 | 179.7° | 180.0° |
| C40 | C37 | N38 | O39 | 179.5° | 180.0° |
| C40 | C42 | H42 | H42A | 120.0° | 120.0° |
| C40 | C42 | H42 | H42B | 120.0° | 120.0° |
| C40 | C42 | H42A | H42B | 120.0° | 120.1° |
| C42 | C40 | C43 | H43 | 59.8° | 180.0° |
| C42 | C40 | C43 | H43A | 179.8° | 60.0° |
| C42 | C40 | C43 | H43B | 60.2° | 60.1° |
| C42 | C40 | C37 | N38 | 24.6° | 119.7° |
| C42 | C40 | C37 | N36 | 154.8° | 60.1° |
| C43 | C40 | C42 | H42 | 58.2° | 60.0° |
| C43 | C40 | C42 | H42A | 61.8° | 60.0° |
| C43 | C40 | C42 | H42B | 178.2° | 180.0° |
| C40 | C43 | H43 | H43A | 120.0° | 120.0° |
| C40 | C43 | H43 | H43B | 120.0° | 119.9° |
| C40 | C43 | H43A | H43B | 120.0° | 120.0° |
| C43 | C40 | C37 | N38 | 143.5° | 0.3° |
| C43 | C40 | C37 | N36 | 35.9° | 180.0° |
| H42 | C42 | H42A | H42B | 120.0° | 120.0° |
| H43 | C43 | H43A | H43B | 120.0° | 120.0° |
| N38 | C37 | N36 | C1 | 0.3° | 0.2° |
| C37 | N38 | O39 | C1 | 0.2° | 0.1° |
| N36 | C37 | N38 | O39 | 0.0° | 0.2° |
| C37 | N36 | C1 | O39 | 0.4° | 0.2° |
| C37 | N36 | C1 | CB | 179.6° | 179.9° |
| N36 | C1 | O39 | N38 | 0.4° | 0.0° |
| N36 | C1 | O39 | CB | 179.3° | 180.0° |
| N36 | C1 | CB | CA | 49.5° | 90.0° |
| N36 | C1 | CB | HB1 | 169.5° | 150.0° |
| N36 | C1 | CB | HB2 | 70.5° | 30.0° |
| N38 | O39 | C1 | CB | 179.7° | 180.0° |
| O39 | C1 | CB | CA | 129.6° | 90.0° |
| O39 | C1 | CB | HB1 | 9.6° | 30.0° |
| O39 | C1 | CB | HB2 | 110.4° | 150.0° |
| C1 | CB | CA | HB1 | 120.0° | 120.0° |
| C1 | CB | CA | HB2 | 120.0° | 119.9° |
| C1 | CB | HB1 | HB2 | 120.7° | 120.0° |
| C1 | CB | CA | N | 69.2° | 65.0° |
| C1 | CB | CA | HA | 50.2° | 55.1° |
| CA | CB | HB1 | HB2 | 120.7° | 120.1° |
| CB | CA | N | HA | 120.7° | 120.1° |
| CB | CA | N | H | 57.3° | 176.1° |
| CB | CA | C | OXT | 52.8° | 80.0° |
| CB | CA | N | H2 | 177.3° | 59.9° |
| HB1 | CB | CA | N | 170.8° | 175.0° |
| HB1 | CB | CA | HA | 69.8° | 64.9° |
| HB2 | CB | CA | N | 50.8° | 54.9° |
| HB2 | CB | CA | HA | 170.2° | 175.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | C | OXT | 67.6° | 160.0° |
| HA | CA | N | H | 63.4° | 56.0° |
| HA | CA | C | OXT | 173.3° | 40.0° |
| HA | CA | N | H2 | 56.7° | 180.0° |
