D3P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.47Å | |
| N | H | sing | 0.99Å | 1.02Å | |
| N | H2 | sing | 0.99Å | 1.02Å | |
| CA | C | sing | 1.53Å | 1.57Å | |
| CA | C1 | sing | 1.49Å | 1.49Å | |
| CA | HA | sing | 1.11Å | 1.12Å | |
| C | O | doub | 1.22Å | 1.24Å | |
| C | OXT | sing | 1.36Å | 58.92Å | |
| C1 | C2 | doub | 1.39Å | 1.36Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | O3 | sing | 1.36Å | 1.36Å | |
| C3 | C4 | doub | 1.39Å | 1.37Å | Aromatic |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| C4 | C5 | sing | 1.39Å | 1.43Å | Aromatic |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | O5 | sing | 1.36Å | 1.36Å | |
| C5 | C6 | doub | 1.40Å | 1.37Å | Aromatic |
| O5 | H5 | sing | 0.97Å | 0.95Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.98Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.1° | 117.5° |
| CA | N | H2 | 109.0° | 117.4° |
| N | CA | C | 108.1° | 107.4° |
| N | CA | C1 | 116.9° | 113.1° |
| N | CA | HA | 108.3° | 107.4° |
| H | N | H2 | 101.0° | 123.6° |
| C | CA | C1 | 106.8° | 112.1° |
| C | CA | HA | 108.3° | 106.4° |
| CA | C | O | 120.9° | 124.9° |
| CA | C | OXT | 92.2° | 112.9° |
| C1 | CA | HA | 108.3° | 110.2° |
| CA | C1 | C2 | 118.6° | 120.0° |
| CA | C1 | C6 | 120.5° | 120.0° |
| O | C | OXT | 32.2° | 122.2° |
| C | OXT | HXT | 90.0° | 115.1° |
| C2 | C1 | C6 | 120.8° | 120.0° |
| C1 | C2 | C3 | 120.3° | 120.0° |
| C1 | C2 | H1 | 119.8° | 120.2° |
| C1 | C6 | C5 | 118.5° | 120.0° |
| C1 | C6 | H6 | 120.8° | 120.2° |
| C3 | C2 | H1 | 119.8° | 119.8° |
| C2 | C3 | O3 | 117.8° | 120.0° |
| C2 | C3 | C4 | 121.1° | 120.0° |
| O3 | C3 | C4 | 121.2° | 120.0° |
| C3 | O3 | H3 | 117.7° | 110.3° |
| C3 | C4 | C5 | 117.0° | 120.0° |
| C3 | C4 | H4 | 121.5° | 120.0° |
| C5 | C4 | H4 | 121.5° | 120.0° |
| C4 | C5 | O5 | 118.9° | 120.0° |
| C4 | C5 | C6 | 121.7° | 120.0° |
| O5 | C5 | C6 | 119.2° | 120.0° |
| C5 | O5 | H5 | 119.2° | 110.3° |
| C5 | C6 | H6 | 120.7° | 119.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 114.8° | 165.7° |
| N | CA | C | C1 | 126.6° | 124.8° |
| N | CA | C | HA | 117.1° | 114.7° |
| N | CA | C1 | HA | 122.6° | 120.2° |
| N | CA | C | O | 41.8° | 5.3° |
| N | CA | C | OXT | 57.3° | 173.5° |
| N | CA | C1 | C2 | 36.3° | 120.3° |
| N | CA | C1 | C6 | 146.0° | 59.8° |
| H | N | CA | C | 160.0° | 154.8° |
| H | N | CA | C1 | 79.6° | 30.6° |
| H | N | CA | HA | 43.0° | 91.2° |
| H2 | N | CA | C | 50.6° | 38.6° |
| H2 | N | CA | C1 | 171.0° | 162.8° |
| H2 | N | CA | HA | 66.5° | 75.4° |
| C | CA | C1 | HA | 116.4° | 118.2° |
| CA | C | O | OXT | 30.1° | 178.7° |
| C | CA | C1 | C2 | 84.8° | 118.2° |
| C | CA | C1 | C6 | 92.9° | 61.8° |
| CA | C | OXT | HXT | 90.0° | 178.8° |
| C1 | CA | C | O | 84.8° | 119.5° |
| C1 | CA | C | OXT | 69.3° | 61.7° |
| CA | C1 | C2 | C6 | 177.7° | 180.0° |
| CA | C1 | C2 | C3 | 178.9° | 180.0° |
| CA | C1 | C2 | H1 | 1.1° | 0.0° |
| CA | C1 | C6 | C5 | 177.3° | 180.0° |
| CA | C1 | C6 | H6 | 2.7° | 0.0° |
| HA | CA | C | O | 158.9° | 120.0° |
| HA | CA | C | OXT | 174.4° | 58.8° |
| HA | CA | C1 | C2 | 158.8° | 0.0° |
| HA | CA | C1 | C6 | 23.4° | 180.0° |
| O | C | OXT | HXT | 90.0° | 0.1° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | O3 | 179.1° | 180.0° |
| C1 | C2 | C3 | C4 | 0.4° | 0.0° |
| C2 | C1 | C6 | C5 | 5.1° | 0.0° |
| C2 | C1 | C6 | H6 | 175.0° | 180.0° |
| C6 | C1 | C2 | C3 | 1.2° | 0.0° |
| C6 | C1 | C2 | H1 | 178.8° | 180.0° |
| C1 | C6 | C5 | C4 | 8.2° | 0.0° |
| C1 | C6 | C5 | O5 | 176.8° | 180.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C2 | C3 | O3 | C4 | 179.5° | 180.0° |
| C2 | C3 | O3 | H3 | 180.0° | 174.4° |
| C2 | C3 | C4 | C5 | 3.3° | 0.0° |
| C2 | C3 | C4 | H4 | 176.7° | 179.9° |
| H1 | C2 | C3 | O3 | 0.9° | 0.0° |
| H1 | C2 | C3 | C4 | 179.6° | 180.0° |
| O3 | C3 | C4 | C5 | 176.2° | 180.0° |
| O3 | C3 | C4 | H4 | 3.8° | 0.1° |
| C4 | C3 | O3 | H3 | 0.5° | 5.6° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | O5 | 177.6° | 180.0° |
| C3 | C4 | C5 | C6 | 7.4° | 0.0° |
| C4 | C5 | O5 | C6 | 175.1° | 180.0° |
| C4 | C5 | O5 | H5 | 4.9° | 167.7° |
| C4 | C5 | C6 | H6 | 171.8° | 180.0° |
| H4 | C4 | C5 | O5 | 2.4° | 0.1° |
| H4 | C4 | C5 | C6 | 172.6° | 179.9° |
| O5 | C5 | C6 | H6 | 3.2° | 0.0° |
| C6 | C5 | O5 | H5 | 180.0° | 12.3° |
