4MZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CG | ND1 | sing | 1.34Å | 1.40Å | Aromatic |
| CG | CD2 | doub | 1.35Å | 1.39Å | Aromatic |
| CG | C4 | sing | 1.51Å | 1.59Å | |
| ND1 | CE1 | doub | 1.30Å | 1.33Å | Aromatic |
| CD2 | NE2 | sing | 1.37Å | 1.37Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.10Å | |
| CE1 | NE2 | sing | 1.35Å | 1.34Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.10Å | |
| NE2 | HE2 | sing | 0.97Å | 1.02Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C4 | H43 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| ND1 | CG | CD2 | 107.1° | 108.1° |
| ND1 | CG | C4 | 126.2° | 126.0° |
| CG | ND1 | CE1 | 106.9° | 109.2° |
| CD2 | CG | C4 | 126.6° | 126.0° |
| CG | CD2 | NE2 | 106.9° | 106.8° |
| CG | CD2 | HD2 | 127.1° | 126.6° |
| CG | C4 | H41 | 126.3° | 109.5° |
| CG | C4 | H42 | 106.3° | 109.5° |
| CG | C4 | H43 | 106.3° | 109.5° |
| ND1 | CE1 | NE2 | 110.9° | 108.7° |
| ND1 | CE1 | HE1 | 124.2° | 125.7° |
| NE2 | CD2 | HD2 | 126.0° | 126.6° |
| CD2 | NE2 | CE1 | 108.2° | 107.2° |
| CD2 | NE2 | HE2 | 126.8° | 126.4° |
| NE2 | CE1 | HE1 | 124.9° | 125.6° |
| CE1 | NE2 | HE2 | 125.1° | 126.4° |
| H41 | C4 | H42 | 106.4° | 109.4° |
| H41 | C4 | H43 | 106.3° | 109.5° |
| H42 | C4 | H43 | 103.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| ND1 | CG | CD2 | C4 | 179.9° | 179.8° |
| ND1 | CG | CD2 | NE2 | 0.1° | 0.2° |
| ND1 | CG | CD2 | HD2 | 179.9° | 179.8° |
| CG | ND1 | CE1 | NE2 | 0.1° | 0.3° |
| CG | ND1 | CE1 | HE1 | 180.0° | 179.8° |
| ND1 | CG | C4 | H41 | 180.0° | 90.3° |
| ND1 | CG | C4 | H42 | 54.7° | 29.6° |
| ND1 | CG | C4 | H43 | 54.7° | 149.7° |
| CD2 | CG | ND1 | CE1 | 0.1° | 0.3° |
| CG | CD2 | NE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | NE2 | CE1 | 0.1° | 0.0° |
| CG | CD2 | NE2 | HE2 | 180.0° | 180.0° |
| CD2 | CG | C4 | H41 | 0.1° | 90.0° |
| CD2 | CG | C4 | H42 | 125.4° | 150.1° |
| CD2 | CG | C4 | H43 | 125.2° | 30.0° |
| C4 | CG | ND1 | CE1 | 180.0° | 180.0° |
| C4 | CG | CD2 | NE2 | 180.0° | 179.9° |
| C4 | CG | CD2 | HD2 | 0.0° | 0.0° |
| CG | C4 | H41 | H42 | 125.3° | 120.0° |
| CG | C4 | H41 | H43 | 125.2° | 120.0° |
| CG | C4 | H42 | H43 | 111.6° | 120.0° |
| ND1 | CE1 | NE2 | CD2 | 0.0° | 0.2° |
| ND1 | CE1 | NE2 | HE1 | 180.0° | 179.9° |
| ND1 | CE1 | NE2 | HE2 | 180.0° | 179.8° |
| CD2 | NE2 | CE1 | HE2 | 180.0° | 180.0° |
| CD2 | NE2 | CE1 | HE1 | 180.0° | 180.0° |
| HD2 | CD2 | NE2 | CE1 | 179.9° | 180.0° |
| HD2 | CD2 | NE2 | HE2 | 0.0° | 0.0° |
| HE1 | CE1 | NE2 | HE2 | 0.0° | 0.1° |
| H41 | C4 | H42 | H43 | 111.7° | 120.0° |
