XJ0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OB | C | doub | 1.22Å | 1.25Å | |
| C | OA | sing | 1.35Å | 1.25Å | |
| C | CA | sing | 1.42Å | 1.39Å | |
| CA | CB | doub | 1.35Å | 1.39Å | |
| CB | CG | sing | 1.47Å | 1.39Å | |
| CG | CD | sing | 1.40Å | 1.39Å | Aromatic |
| CG | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| CD | NE | doub | 1.32Å | 1.32Å | Aromatic |
| NE | CZ | sing | 1.33Å | 1.34Å | Aromatic |
| CZ | NH2 | sing | 1.38Å | 1.33Å | |
| CZ | NH1 | doub | 1.33Å | 1.34Å | Aromatic |
| NH1 | C10 | sing | 1.32Å | 1.32Å | Aromatic |
| OA | HA | sing | 0.97Å | 0.95Å | |
| CA | HB | sing | 1.08Å | 1.08Å | |
| CB | HC | sing | 1.08Å | 1.08Å | |
| CD | HD | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| NH2 | HH21 | sing | 0.97Å | 1.00Å | |
| NH2 | HH22 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OB | C | OA | 124.1° | 120.0° |
| OB | C | CA | 117.8° | 119.9° |
| OA | C | CA | 118.1° | 120.0° |
| C | OA | HA | 109.5° | 114.0° |
| C | CA | CB | 120.1° | 120.0° |
| C | CA | HB | 119.9° | 120.0° |
| CA | CB | CG | 122.4° | 120.0° |
| CB | CA | HB | 119.9° | 120.0° |
| CA | CB | HC | 118.8° | 119.9° |
| CB | CG | CD | 122.2° | 120.9° |
| CB | CG | C10 | 119.9° | 120.9° |
| CG | CB | HC | 118.8° | 120.1° |
| CD | CG | C10 | 117.9° | 118.2° |
| CG | CD | NE | 119.8° | 119.0° |
| CG | CD | HD | 120.1° | 120.5° |
| CG | C10 | NH1 | 119.9° | 119.0° |
| CG | C10 | H10 | 120.1° | 120.5° |
| CD | NE | CZ | 121.1° | 120.9° |
| NE | CD | HD | 120.1° | 120.6° |
| NE | CZ | NH2 | 119.8° | 119.0° |
| NE | CZ | NH1 | 120.3° | 122.0° |
| NH2 | CZ | NH1 | 120.0° | 119.0° |
| CZ | NH2 | HH21 | 109.5° | 120.0° |
| CZ | NH2 | HH22 | 109.5° | 120.0° |
| CZ | NH1 | C10 | 121.1° | 120.9° |
| NH1 | C10 | H10 | 120.0° | 120.5° |
| HH21 | NH2 | HH22 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OB | C | OA | CA | 179.9° | 179.8° |
| OB | C | CA | CB | 179.8° | 0.0° |
| OB | C | OA | HA | 0.0° | 0.0° |
| OB | C | CA | HB | 0.2° | 180.0° |
| OA | C | CA | CB | 0.2° | 179.7° |
| OA | C | CA | HB | 179.9° | 0.2° |
| C | CA | CB | HB | 180.0° | 180.0° |
| C | CA | CB | CG | 180.0° | 180.0° |
| CA | C | OA | HA | 179.9° | 179.8° |
| C | CA | CB | HC | 0.0° | 0.0° |
| CA | CB | CG | HC | 180.0° | 180.0° |
| CA | CB | CG | CD | 0.0° | 180.0° |
| CA | CB | CG | C10 | 180.0° | 0.2° |
| CB | CG | CD | C10 | 180.0° | 179.8° |
| CB | CG | CD | NE | 180.0° | 180.0° |
| CB | CG | C10 | NH1 | 179.9° | 179.7° |
| CG | CB | CA | HB | 0.1° | 0.0° |
| CB | CG | CD | HD | 0.1° | 0.0° |
| CB | CG | C10 | H10 | 0.1° | 0.0° |
| CG | CD | NE | HD | 180.0° | 180.0° |
| CG | CD | NE | CZ | 0.2° | 0.0° |
| CD | CG | C10 | NH1 | 0.1° | 0.5° |
| CD | CG | CB | HC | 180.0° | 0.0° |
| CD | CG | C10 | H10 | 179.9° | 179.8° |
| C10 | CG | CD | NE | 0.1° | 0.2° |
| CG | C10 | NH1 | CZ | 0.1° | 0.5° |
| CG | C10 | NH1 | H10 | 180.0° | 179.7° |
| C10 | CG | CB | HC | 0.0° | 179.7° |
| C10 | CG | CD | HD | 179.9° | 179.7° |
| CD | NE | CZ | NH2 | 179.7° | 180.0° |
| CD | NE | CZ | NH1 | 0.2° | 0.1° |
| NE | CZ | NH2 | NH1 | 179.9° | 180.0° |
| NE | CZ | NH1 | C10 | 0.1° | 0.3° |
| CZ | NE | CD | HD | 179.8° | 180.0° |
| NE | CZ | NH2 | HH21 | 16.0° | 0.0° |
| NE | CZ | NH2 | HH22 | 104.1° | 180.0° |
| NH2 | CZ | NH1 | C10 | 179.8° | 179.7° |
| CZ | NH2 | HH21 | HH22 | 120.0° | 180.0° |
| CZ | NH1 | C10 | H10 | 179.9° | 179.7° |
| NH1 | CZ | NH2 | HH21 | 163.9° | 179.9° |
| NH1 | CZ | NH2 | HH22 | 76.0° | 0.0° |
| HB | CA | CB | HC | 180.0° | 180.0° |
