9XQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NH2 | CE4 | doub | 1.33Å | 1.30Å | |
| CE4 | NE3 | sing | 1.37Å | 1.34Å | |
| CE4 | NH1 | sing | 1.33Å | 1.31Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| NE3 | CE1 | sing | 1.40Å | 1.46Å | |
| CD1 | CE1 | doub | 1.39Å | 1.40Å | Aromatic |
| CD1 | CG | sing | 1.40Å | 1.40Å | Aromatic |
| C | CG | sing | 1.48Å | 1.51Å | |
| CE1 | CZ | sing | 1.39Å | 1.40Å | Aromatic |
| CG | CD2 | doub | 1.40Å | 1.40Å | Aromatic |
| CZ | CE2 | doub | 1.38Å | 1.39Å | Aromatic |
| CD2 | CE2 | sing | 1.38Å | 1.39Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| NH1 | HH12 | sing | 0.97Å | 1.00Å | |
| NH1 | HH11 | sing | 0.97Å | 1.00Å | |
| NH2 | HH21 | sing | 0.97Å | 1.00Å | |
| NE3 | HE3 | sing | 0.97Å | 1.00Å | |
| C | OXT | sing | 1.35Å | 0.87Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| NH2 | HH22 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NH2 | CE4 | NE3 | 119.4° | 120.0° |
| NH2 | CE4 | NH1 | 116.1° | 120.0° |
| CE4 | NH2 | HH21 | 120.0° | 120.0° |
| CE4 | NH2 | HH22 | 120.0° | 120.0° |
| NE3 | CE4 | NH1 | 124.5° | 120.0° |
| CE4 | NE3 | CE1 | 137.7° | 120.0° |
| CE4 | NE3 | HE3 | 111.2° | 120.0° |
| CE4 | NH1 | HH12 | 120.0° | 120.0° |
| CE4 | NH1 | HH11 | 120.0° | 120.0° |
| O | C | CG | 121.1° | 120.0° |
| O | C | OXT | 118.3° | 120.0° |
| NE3 | CE1 | CD1 | 116.9° | 120.0° |
| NE3 | CE1 | CZ | 124.1° | 120.0° |
| CE1 | NE3 | HE3 | 111.2° | 120.0° |
| CE1 | CD1 | CG | 121.0° | 119.8° |
| CD1 | CE1 | CZ | 118.9° | 120.0° |
| CE1 | CD1 | HD1 | 119.5° | 120.1° |
| CD1 | CG | C | 116.8° | 120.1° |
| CD1 | CG | CD2 | 118.7° | 119.8° |
| CG | CD1 | HD1 | 119.5° | 120.1° |
| C | CG | CD2 | 124.5° | 120.1° |
| CG | C | OXT | 118.5° | 120.0° |
| CE1 | CZ | CE2 | 120.6° | 120.3° |
| CE1 | CZ | HZ | 119.7° | 119.9° |
| CG | CD2 | CE2 | 120.8° | 120.0° |
| CG | CD2 | HD2 | 119.6° | 120.0° |
| CZ | CE2 | CD2 | 119.8° | 120.2° |
| CE2 | CZ | HZ | 119.7° | 119.9° |
| CZ | CE2 | HE2 | 120.1° | 119.9° |
| CD2 | CE2 | HE2 | 120.1° | 119.9° |
| CE2 | CD2 | HD2 | 119.6° | 120.1° |
| HH12 | NH1 | HH11 | 120.0° | 120.0° |
| HH21 | NH2 | HH22 | 120.0° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NH2 | CE4 | NE3 | NH1 | 179.0° | 180.0° |
| NH2 | CE4 | NE3 | CE1 | 175.2° | 6.3° |
| NH2 | CE4 | NH1 | HH12 | 179.0° | 0.0° |
| NH2 | CE4 | NH1 | HH11 | 1.0° | 180.0° |
| CE4 | NH2 | HH21 | HH22 | 180.0° | 180.0° |
| NH2 | CE4 | NE3 | HE3 | 4.8° | 173.8° |
| CE4 | NE3 | CE1 | HE3 | 180.0° | 179.9° |
| CE4 | NE3 | CE1 | CD1 | 168.7° | 39.7° |
| CE4 | NE3 | CE1 | CZ | 6.9° | 140.4° |
| NE3 | CE4 | NH1 | HH12 | 0.0° | 180.0° |
| NE3 | CE4 | NH1 | HH11 | 180.0° | 0.0° |
| NE3 | CE4 | NH2 | HH21 | 179.1° | 6.2° |
| NE3 | CE4 | NH2 | HH22 | 0.9° | 173.8° |
| NH1 | CE4 | NE3 | CE1 | 3.8° | 173.7° |
| CE4 | NH1 | HH12 | HH11 | 180.0° | 180.0° |
| NH1 | CE4 | NH2 | HH21 | 0.0° | 173.8° |
| NH1 | CE4 | NE3 | HE3 | 176.2° | 6.2° |
| NH1 | CE4 | NH2 | HH22 | 180.0° | 6.2° |
| O | C | CG | CD1 | 39.2° | 0.3° |
| O | C | CG | OXT | 163.3° | 179.9° |
| O | C | CG | CD2 | 144.2° | 180.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| NE3 | CE1 | CD1 | CZ | 175.8° | 179.9° |
| NE3 | CE1 | CD1 | CG | 169.5° | 180.0° |
| NE3 | CE1 | CZ | CE2 | 172.7° | 180.0° |
| NE3 | CE1 | CD1 | HD1 | 10.5° | 0.0° |
| NE3 | CE1 | CZ | HZ | 7.3° | 0.0° |
| CE1 | CD1 | CG | HD1 | 180.0° | 180.0° |
| CE1 | CD1 | CG | C | 171.0° | 179.7° |
| CE1 | CD1 | CG | CD2 | 5.8° | 0.0° |
| CD1 | CE1 | CZ | CE2 | 2.8° | 0.1° |
| CD1 | CE1 | CZ | HZ | 177.2° | 179.9° |
| CD1 | CE1 | NE3 | HE3 | 11.3° | 140.2° |
| CD1 | CG | C | CD2 | 176.6° | 179.7° |
| CG | CD1 | CE1 | CZ | 6.3° | 0.1° |
| CD1 | CG | CD2 | CE2 | 1.6° | 0.0° |
| CD1 | CG | CD2 | HD2 | 178.4° | 180.0° |
| CD1 | CG | C | OXT | 157.5° | 179.8° |
| C | CG | CD2 | CE2 | 174.9° | 179.7° |
| C | CG | CD1 | HD1 | 8.9° | 0.3° |
| C | CG | CD2 | HD2 | 5.1° | 0.3° |
| CG | C | OXT | HXT | 163.8° | 180.0° |
| CE1 | CZ | CE2 | HZ | 180.0° | 179.9° |
| CE1 | CZ | CE2 | CD2 | 1.2° | 0.1° |
| CZ | CE1 | CD1 | HD1 | 173.7° | 179.9° |
| CE1 | CZ | CE2 | HE2 | 178.8° | 180.0° |
| CZ | CE1 | NE3 | HE3 | 173.1° | 39.7° |
| CG | CD2 | CE2 | CZ | 1.8° | 0.0° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CD2 | CG | CD1 | HD1 | 174.3° | 180.0° |
| CG | CD2 | CE2 | HE2 | 178.2° | 180.0° |
| CD2 | CG | C | OXT | 19.1° | 0.0° |
| CZ | CE2 | CD2 | HE2 | 180.0° | 179.9° |
| CZ | CE2 | CD2 | HD2 | 178.2° | 180.0° |
| CD2 | CE2 | CZ | HZ | 178.8° | 180.0° |
| HZ | CZ | CE2 | HE2 | 1.2° | 0.0° |
| HE2 | CE2 | CD2 | HD2 | 1.8° | 0.0° |
