D4P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | H | sing | 0.99Å | 1.02Å | |
| N | H2 | sing | 0.99Å | 1.02Å | |
| CA | C | sing | 1.53Å | 1.51Å | |
| CA | C1 | sing | 1.49Å | 1.50Å | |
| CA | HA | sing | 1.11Å | 1.12Å | |
| C | O | doub | 1.22Å | 1.25Å | |
| C | OXT | sing | 1.36Å | 61.33Å | |
| C1 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.37Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | doub | 1.40Å | 1.36Å | Aromatic |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | O4 | sing | 1.36Å | 1.36Å | |
| C4 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| O4 | H4 | sing | 0.97Å | 0.95Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| 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 | 118.5° | 117.4° |
| CA | N | H2 | 118.5° | 117.4° |
| N | CA | C | 110.0° | 107.9° |
| N | CA | C1 | 115.0° | 113.0° |
| N | CA | HA | 108.1° | 107.3° |
| H | N | H2 | 91.8° | 123.7° |
| C | CA | C1 | 107.4° | 111.9° |
| C | CA | HA | 108.1° | 106.2° |
| CA | C | O | 120.7° | 124.8° |
| CA | C | OXT | 39.9° | 112.9° |
| C1 | CA | HA | 108.1° | 110.2° |
| CA | C1 | C2 | 119.9° | 120.0° |
| CA | C1 | C6 | 118.9° | 120.0° |
| O | C | OXT | 150.8° | 122.2° |
| C | OXT | HXT | 90.0° | 115.1° |
| C2 | C1 | C6 | 121.1° | 120.0° |
| C1 | C2 | C3 | 122.0° | 120.0° |
| C1 | C2 | H1 | 119.0° | 120.5° |
| C1 | C6 | C5 | 116.4° | 120.0° |
| C1 | C6 | H6 | 121.8° | 120.6° |
| C3 | C2 | H1 | 119.0° | 119.5° |
| C2 | C3 | C4 | 117.3° | 120.0° |
| C2 | C3 | H3 | 121.4° | 119.7° |
| C4 | C3 | H3 | 121.4° | 120.3° |
| C3 | C4 | O4 | 119.9° | 120.0° |
| C3 | C4 | C5 | 120.9° | 120.0° |
| O4 | C4 | C5 | 119.1° | 120.0° |
| C4 | O4 | H4 | 119.9° | 110.3° |
| C4 | C5 | C6 | 122.1° | 120.0° |
| C4 | C5 | H5 | 118.9° | 120.3° |
| C6 | C5 | H5 | 118.9° | 119.6° |
| C5 | C6 | H6 | 121.8° | 119.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 124.0° | 165.6° |
| N | CA | C | C1 | 125.9° | 124.9° |
| N | CA | C | HA | 117.8° | 114.8° |
| N | CA | C1 | HA | 120.8° | 120.1° |
| N | CA | C | O | 44.5° | 5.2° |
| N | CA | C | OXT | 106.3° | 176.1° |
| N | CA | C1 | C2 | 162.1° | 120.0° |
| N | CA | C1 | C6 | 19.1° | 60.0° |
| H | N | CA | C | 93.8° | 160.2° |
| H | N | CA | C1 | 27.6° | 36.0° |
| H | N | CA | HA | 148.5° | 85.7° |
| H2 | N | CA | C | 15.7° | 6.3° |
| H2 | N | CA | C1 | 137.1° | 130.6° |
| H2 | N | CA | HA | 102.0° | 107.7° |
| C | CA | C1 | HA | 116.3° | 117.9° |
| CA | C | O | OXT | 39.9° | 178.6° |
| C | CA | C1 | C2 | 75.1° | 117.9° |
| C | CA | C1 | C6 | 103.7° | 62.1° |
| CA | C | OXT | HXT | 90.0° | 178.8° |
| C1 | CA | C | O | 81.4° | 119.7° |
| C1 | CA | C | OXT | 127.8° | 59.0° |
| CA | C1 | C2 | C6 | 178.7° | 180.0° |
| CA | C1 | C2 | C3 | 180.0° | 180.0° |
| CA | C1 | C2 | H1 | 0.0° | 0.1° |
| CA | C1 | C6 | C5 | 177.5° | 180.0° |
| CA | C1 | C6 | H6 | 2.5° | 0.0° |
| HA | CA | C | O | 162.3° | 120.0° |
| HA | CA | C | OXT | 11.5° | 61.3° |
| HA | CA | C1 | C2 | 41.3° | 0.0° |
| HA | CA | C1 | C6 | 140.0° | 180.0° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.7° | 0.0° |
| C1 | C2 | C3 | H3 | 179.3° | 180.0° |
| C2 | C1 | C6 | C5 | 3.7° | 0.0° |
| C2 | C1 | C6 | H6 | 176.3° | 180.0° |
| C6 | C1 | C2 | C3 | 1.3° | 0.0° |
| C6 | C1 | C2 | H1 | 178.7° | 179.9° |
| C1 | C6 | C5 | C4 | 4.5° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | H5 | 175.5° | 179.9° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | O4 | 178.5° | 179.9° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| H1 | C2 | C3 | C4 | 179.3° | 179.9° |
| H1 | C2 | C3 | H3 | 0.7° | 0.0° |
| C3 | C4 | O4 | C5 | 178.6° | 179.9° |
| C3 | C4 | O4 | H4 | 180.0° | 12.1° |
| C3 | C4 | C5 | C6 | 2.7° | 0.0° |
| C3 | C4 | C5 | H5 | 177.3° | 179.9° |
| H3 | C3 | C4 | O4 | 1.4° | 0.1° |
| H3 | C3 | C4 | C5 | 180.0° | 180.0° |
| O4 | C4 | C5 | C6 | 175.9° | 179.9° |
| O4 | C4 | C5 | H5 | 4.1° | 0.0° |
| C5 | C4 | O4 | H4 | 1.4° | 167.7° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | H6 | 175.5° | 180.0° |
| H5 | C5 | C6 | H6 | 4.4° | 0.0° |
