Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.39Å | |
| N | H | sing | 0.99Å | 1.00Å | |
| N | HN2 | sing | 0.99Å | 1.00Å | |
| CA | CG | sing | 1.49Å | 1.50Å | |
| CA | C | sing | 1.53Å | 1.60Å | |
| CA | HA | sing | 1.11Å | 1.10Å | |
| CG | CD1 | doub | 1.39Å | 1.37Å | Aromatic |
| CG | CD2 | sing | 1.39Å | 1.39Å | Aromatic |
| CD1 | CE1 | sing | 1.39Å | 1.38Å | Aromatic |
| CD1 | HD1 | sing | 1.09Å | 1.08Å | |
| CD2 | CE2 | doub | 1.39Å | 1.41Å | Aromatic |
| CD2 | HD2 | sing | 1.09Å | 1.08Å | |
| CE1 | CZ | doub | 1.40Å | 1.35Å | Aromatic |
| CE1 | HE1 | sing | 1.09Å | 1.08Å | |
| CE2 | CZ | sing | 1.39Å | 1.38Å | Aromatic |
| CE2 | HE2 | sing | 1.09Å | 1.08Å | |
| CZ | OH | sing | 1.36Å | 1.39Å | |
| OH | HOH | sing | 0.97Å | 0.95Å | |
| C | O | doub | 1.22Å | 1.23Å | |
| C | OXT | sing | 1.36Å | 33.56Å | |
| OXT | HXT | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.5° | 117.5° |
| CA | N | HN2 | 109.5° | 117.4° |
| N | CA | CG | 125.3° | 113.1° |
| N | CA | C | 104.8° | 107.3° |
| N | CA | HA | 99.3° | 107.4° |
| H | N | HN2 | 109.5° | 123.7° |
| CG | CA | C | 97.8° | 112.1° |
| CG | CA | HA | 106.2° | 110.2° |
| CA | CG | CD1 | 123.9° | 120.0° |
| CA | CG | CD2 | 118.0° | 120.0° |
| C | CA | HA | 126.2° | 106.4° |
| CA | C | O | 116.5° | 124.9° |
| CA | C | OXT | 84.7° | 112.9° |
| CD1 | CG | CD2 | 117.9° | 120.0° |
| CG | CD1 | CE1 | 121.2° | 120.0° |
| CG | CD1 | HD1 | 119.4° | 120.5° |
| CG | CD2 | CE2 | 121.7° | 120.0° |
| CG | CD2 | HD2 | 119.1° | 120.6° |
| CE1 | CD1 | HD1 | 119.4° | 119.5° |
| CD1 | CE1 | CZ | 119.1° | 120.0° |
| CD1 | CE1 | HE1 | 120.5° | 119.7° |
| CE2 | CD2 | HD2 | 119.1° | 119.5° |
| CD2 | CE2 | CZ | 116.1° | 120.0° |
| CD2 | CE2 | HE2 | 121.9° | 119.6° |
| CZ | CE1 | HE1 | 120.5° | 120.3° |
| CE1 | CZ | CE2 | 122.5° | 120.0° |
| CE1 | CZ | OH | 123.6° | 120.0° |
| CZ | CE2 | HE2 | 122.0° | 120.3° |
| CE2 | CZ | OH | 113.8° | 120.0° |
| CZ | OH | HOH | 109.5° | 110.3° |
| O | C | OXT | 72.3° | 122.2° |
| C | OXT | HXT | 84.7° | 115.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | HN2 | 120.1° | 165.7° |
| N | CA | CG | C | 114.4° | 121.5° |
| N | CA | CG | HA | 114.3° | 120.3° |
| N | CA | C | HA | 113.6° | 114.8° |
| N | CA | CG | CD1 | 50.8° | 120.3° |
| N | CA | CG | CD2 | 123.3° | 59.7° |
| N | CA | C | O | 22.9° | 5.3° |
| N | CA | C | OXT | 44.4° | 173.5° |
| H | N | CA | CG | 18.1° | 95.4° |
| H | N | CA | C | 129.1° | 28.7° |
| H | N | CA | HA | 99.4° | 142.7° |
| HN2 | N | CA | CG | 138.1° | 71.2° |
| HN2 | N | CA | C | 110.9° | 164.7° |
| HN2 | N | CA | HA | 20.6° | 50.7° |
| CG | CA | C | HA | 116.6° | 120.5° |
| CA | CG | CD1 | CD2 | 174.1° | 180.0° |
| CA | CG | CD1 | CE1 | 178.7° | 180.0° |
| CA | CG | CD1 | HD1 | 1.3° | 0.1° |
| CA | CG | CD2 | CE2 | 175.6° | 180.0° |
| CA | CG | CD2 | HD2 | 4.4° | 0.0° |
| CG | CA | C | O | 106.9° | 119.5° |
| CG | CA | C | OXT | 174.1° | 61.7° |
| C | CA | CG | CD1 | 63.6° | 118.2° |
| C | CA | CG | CD2 | 122.3° | 61.8° |
| CA | C | O | OXT | 74.5° | 178.7° |
| CA | C | OXT | HXT | 180.0° | 178.8° |
| HA | CA | CG | CD1 | 165.1° | 0.0° |
| HA | CA | CG | CD2 | 9.0° | 180.0° |
| HA | CA | C | O | 136.5° | 120.0° |
| HA | CA | C | OXT | 69.2° | 58.8° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CE2 | 10.0° | 0.0° |
| CD1 | CG | CD2 | HD2 | 170.1° | 180.0° |
| CG | CD1 | CE1 | CZ | 6.6° | 0.0° |
| CG | CD1 | CE1 | HE1 | 173.5° | 180.0° |
| CD2 | CG | CD1 | CE1 | 4.5° | 0.0° |
| CD2 | CG | CD1 | HD1 | 175.5° | 179.9° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | CE2 | CZ | 4.1° | 0.0° |
| CG | CD2 | CE2 | HE2 | 175.9° | 179.9° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 12.9° | 0.0° |
| CD1 | CE1 | CZ | OH | 172.1° | 179.9° |
| HD1 | CD1 | CE1 | CZ | 173.4° | 179.9° |
| HD1 | CD1 | CE1 | HE1 | 6.6° | 0.0° |
| CD2 | CE2 | CZ | CE1 | 7.5° | 0.0° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 179.9° |
| CD2 | CE2 | CZ | OH | 177.0° | 179.9° |
| HD2 | CD2 | CE2 | CZ | 175.9° | 180.0° |
| HD2 | CD2 | CE2 | HE2 | 4.1° | 0.0° |
| CE1 | CZ | CE2 | OH | 175.5° | 179.9° |
| CE1 | CZ | CE2 | HE2 | 172.5° | 179.9° |
| CE1 | CZ | OH | HOH | 168.1° | 12.1° |
| HE1 | CE1 | CZ | CE2 | 167.1° | 180.0° |
| HE1 | CE1 | CZ | OH | 7.9° | 0.1° |
| CE2 | CZ | OH | HOH | 7.3° | 167.7° |
| HE2 | CE2 | CZ | OH | 3.0° | 0.0° |
| O | C | OXT | HXT | 60.1° | 0.0° |
