Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.48Å | |
| N | HN1 | sing | 0.99Å | 1.02Å | |
| N | HA2 | sing | 0.99Å | 1.02Å | |
| CA | C | sing | 1.53Å | 1.50Å | |
| CA | C1 | sing | 1.49Å | 1.50Å | |
| CA | HB | sing | 1.11Å | 1.11Å | |
| C | O | doub | 1.22Å | 1.25Å | |
| C | OXT | sing | 1.36Å | 56.31Å | |
| C1 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.37Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | HA | sing | 1.09Å | 1.10Å | |
| C3 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| C3 | HD | sing | 1.09Å | 1.10Å | |
| C4 | O4 | sing | 1.36Å | 1.37Å | |
| C4 | C5 | sing | 1.39Å | 1.37Å | Aromatic |
| O4 | HE | sing | 0.97Å | 0.95Å | |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | HF | sing | 1.09Å | 1.10Å | |
| C6 | HC | sing | 1.09Å | 1.10Å | |
| OXT | HG | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | HN1 | 133.2° | 117.5° |
| CA | N | HA2 | 133.2° | 117.4° |
| N | CA | C | 109.1° | 107.3° |
| N | CA | C1 | 112.1° | 113.1° |
| N | CA | HB | 107.9° | 107.4° |
| HN1 | N | HA2 | 73.1° | 123.7° |
| C | CA | C1 | 111.7° | 112.1° |
| C | CA | HB | 107.9° | 106.4° |
| CA | C | O | 121.2° | 124.9° |
| CA | C | OXT | 105.8° | 112.9° |
| C1 | CA | HB | 107.9° | 110.2° |
| CA | C1 | C2 | 117.2° | 120.0° |
| CA | C1 | C6 | 119.5° | 120.0° |
| O | C | OXT | 110.6° | 122.2° |
| C | OXT | HG | 105.8° | 115.1° |
| C2 | C1 | C6 | 123.3° | 120.0° |
| C1 | C2 | C3 | 113.8° | 120.0° |
| C1 | C2 | HA | 123.1° | 120.5° |
| C1 | C6 | C5 | 123.8° | 120.0° |
| C1 | C6 | HC | 118.1° | 120.6° |
| C3 | C2 | HA | 123.1° | 119.5° |
| C2 | C3 | C4 | 120.9° | 120.0° |
| C2 | C3 | HD | 119.6° | 119.7° |
| C4 | C3 | HD | 119.5° | 120.3° |
| C3 | C4 | O4 | 116.7° | 120.0° |
| C3 | C4 | C5 | 126.7° | 120.0° |
| O4 | C4 | C5 | 116.3° | 120.0° |
| C4 | O4 | HE | 116.7° | 110.3° |
| C4 | C5 | C6 | 111.2° | 120.0° |
| C4 | C5 | HF | 124.4° | 120.3° |
| C6 | C5 | HF | 124.4° | 119.6° |
| C5 | C6 | HC | 118.1° | 119.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | HN1 | HA2 | 134.0° | 165.7° |
| N | CA | C | C1 | 124.5° | 124.7° |
| N | CA | C | HB | 117.1° | 114.8° |
| N | CA | C1 | HB | 118.7° | 120.3° |
| N | CA | C | O | 15.1° | 5.3° |
| N | CA | C | OXT | 111.6° | 173.5° |
| N | CA | C1 | C2 | 111.6° | 120.3° |
| N | CA | C1 | C6 | 67.9° | 59.7° |
| HN1 | N | CA | C | 45.8° | 28.7° |
| HN1 | N | CA | C1 | 78.5° | 95.4° |
| HN1 | N | CA | HB | 162.8° | 142.7° |
| HA2 | N | CA | C | 155.2° | 164.7° |
| HA2 | N | CA | C1 | 30.9° | 71.2° |
| HA2 | N | CA | HB | 87.7° | 50.7° |
| C | CA | C1 | HB | 118.5° | 118.2° |
| CA | C | O | OXT | 124.5° | 178.7° |
| C | CA | C1 | C2 | 125.6° | 118.2° |
| C | CA | C1 | C6 | 54.9° | 61.8° |
| CA | C | OXT | HG | 180.0° | 178.8° |
| C1 | CA | C | O | 109.4° | 119.5° |
| C1 | CA | C | OXT | 123.9° | 61.7° |
| CA | C1 | C2 | C6 | 179.4° | 180.0° |
| CA | C1 | C2 | C3 | 178.9° | 180.0° |
| CA | C1 | C2 | HA | 1.1° | 0.1° |
| CA | C1 | C6 | C5 | 179.0° | 180.0° |
| CA | C1 | C6 | HC | 1.1° | 0.0° |
| HB | CA | C | O | 132.2° | 120.0° |
| HB | CA | C | OXT | 5.4° | 58.8° |
| HB | CA | C1 | C2 | 7.1° | 0.0° |
| HB | CA | C1 | C6 | 173.4° | 180.0° |
| O | C | OXT | HG | 47.0° | 0.0° |
| C1 | C2 | C3 | HA | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 3.5° | 0.0° |
| C1 | C2 | C3 | HD | 176.6° | 180.0° |
| C2 | C1 | C6 | C5 | 1.6° | 0.0° |
| C2 | C1 | C6 | HC | 178.4° | 180.0° |
| C6 | C1 | C2 | C3 | 1.6° | 0.0° |
| C6 | C1 | C2 | HA | 178.4° | 179.9° |
| C1 | C6 | C5 | C4 | 3.0° | 0.0° |
| C1 | C6 | C5 | HC | 180.0° | 180.0° |
| C1 | C6 | C5 | HF | 177.0° | 179.9° |
| C2 | C3 | C4 | HD | 180.0° | 180.0° |
| C2 | C3 | C4 | O4 | 179.5° | 179.9° |
| C2 | C3 | C4 | C5 | 5.8° | 0.0° |
| HA | C2 | C3 | C4 | 176.5° | 179.9° |
| HA | C2 | C3 | HD | 3.5° | 0.0° |
| C3 | C4 | O4 | C5 | 175.3° | 179.9° |
| C3 | C4 | O4 | HE | 180.0° | 12.1° |
| C3 | C4 | C5 | C6 | 5.2° | 0.0° |
| C3 | C4 | C5 | HF | 174.8° | 179.9° |
| HD | C3 | C4 | O4 | 0.5° | 0.1° |
| HD | C3 | C4 | C5 | 174.2° | 180.0° |
| O4 | C4 | C5 | C6 | 179.9° | 179.9° |
| O4 | C4 | C5 | HF | 0.1° | 0.0° |
| C5 | C4 | O4 | HE | 4.8° | 167.7° |
| C4 | C5 | C6 | HF | 180.0° | 179.9° |
| C4 | C5 | C6 | HC | 176.9° | 180.0° |
| HF | C5 | C6 | HC | 3.0° | 0.0° |
