PHZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | N2 | sing | 1.37Å | 1.46Å | |
| N1 | HN11 | sing | 1.01Å | 1.00Å | |
| N1 | HN12 | sing | 1.01Å | 1.00Å | |
| N2 | CG | sing | 1.40Å | 1.47Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| CG | CD1 | sing | 1.39Å | 1.40Å | Aromatic |
| CG | CD2 | doub | 1.39Å | 1.40Å | Aromatic |
| CD1 | CE1 | doub | 1.38Å | 1.39Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CE1 | CZ | sing | 1.38Å | 1.40Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CZ | CE2 | doub | 1.38Å | 1.40Å | Aromatic |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| CE2 | CD2 | sing | 1.38Å | 1.39Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | N1 | HN11 | 109.5° | 106.7° |
| N2 | N1 | HN12 | 109.5° | 106.7° |
| N1 | N2 | CG | 115.5° | 120.0° |
| N1 | N2 | HN2 | 107.5° | 120.0° |
| HN11 | N1 | HN12 | 109.4° | 106.7° |
| CG | N2 | HN2 | 107.5° | 120.0° |
| N2 | CG | CD1 | 119.0° | 120.1° |
| N2 | CG | CD2 | 121.7° | 120.1° |
| CD1 | CG | CD2 | 119.2° | 119.9° |
| CG | CD1 | CE1 | 121.3° | 119.9° |
| CG | CD1 | HD1 | 119.4° | 120.0° |
| CG | CD2 | CE2 | 120.4° | 119.9° |
| CG | CD2 | HD2 | 119.8° | 120.1° |
| CE1 | CD1 | HD1 | 119.3° | 120.1° |
| CD1 | CE1 | CZ | 118.9° | 120.1° |
| CD1 | CE1 | HE1 | 120.5° | 119.9° |
| CZ | CE1 | HE1 | 120.6° | 120.0° |
| CE1 | CZ | CE2 | 120.3° | 120.1° |
| CE1 | CZ | HZ | 119.8° | 119.9° |
| CE2 | CZ | HZ | 119.8° | 119.9° |
| CZ | CE2 | CD2 | 119.8° | 120.1° |
| CZ | CE2 | HE2 | 120.1° | 119.9° |
| CD2 | CE2 | HE2 | 120.1° | 120.0° |
| CE2 | CD2 | HD2 | 119.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | N1 | HN11 | HN12 | 120.0° | 113.8° |
| N1 | N2 | CG | HN2 | 120.0° | 180.0° |
| N1 | N2 | CG | CD1 | 166.7° | 0.3° |
| N1 | N2 | CG | CD2 | 16.0° | 180.0° |
| HN11 | N1 | N2 | CG | 2.2° | 66.2° |
| HN11 | N1 | N2 | HN2 | 117.8° | 113.8° |
| HN12 | N1 | N2 | CG | 122.2° | 180.0° |
| HN12 | N1 | N2 | HN2 | 2.2° | 0.0° |
| N2 | CG | CD1 | CD2 | 177.3° | 179.8° |
| N2 | CG | CD1 | CE1 | 177.5° | 179.8° |
| N2 | CG | CD1 | HD1 | 2.5° | 0.2° |
| N2 | CG | CD2 | CE2 | 177.2° | 179.9° |
| N2 | CG | CD2 | HD2 | 2.8° | 0.0° |
| HN2 | N2 | CG | CD1 | 73.3° | 179.7° |
| HN2 | N2 | CG | CD2 | 104.0° | 0.0° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.6° |
| CG | CD1 | CE1 | CZ | 0.3° | 0.5° |
| CG | CD1 | CE1 | HE1 | 179.7° | 179.8° |
| CD1 | CG | CD2 | CE2 | 0.1° | 0.2° |
| CD1 | CG | CD2 | HD2 | 179.9° | 179.8° |
| CD2 | CG | CD1 | CE1 | 0.2° | 0.5° |
| CD2 | CG | CD1 | HD1 | 179.9° | 180.0° |
| CG | CD2 | CE2 | CZ | 0.2° | 0.1° |
| CG | CD2 | CE2 | HD2 | 180.0° | 179.9° |
| CG | CD2 | CE2 | HE2 | 179.8° | 180.0° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 179.7° |
| CD1 | CE1 | CZ | CE2 | 0.2° | 0.3° |
| CD1 | CE1 | CZ | HZ | 179.8° | 179.8° |
| HD1 | CD1 | CE1 | CZ | 179.7° | 179.9° |
| HD1 | CD1 | CE1 | HE1 | 0.3° | 0.2° |
| CE1 | CZ | CE2 | HZ | 180.0° | 179.9° |
| CE1 | CZ | CE2 | CD2 | 0.1° | 0.0° |
| CE1 | CZ | CE2 | HE2 | 179.9° | 179.9° |
| HE1 | CE1 | CZ | CE2 | 179.8° | 180.0° |
| HE1 | CE1 | CZ | HZ | 0.2° | 0.1° |
| CZ | CE2 | CD2 | HE2 | 180.0° | 179.9° |
| CZ | CE2 | CD2 | HD2 | 179.8° | 180.0° |
| HZ | CZ | CE2 | CD2 | 180.0° | 179.9° |
| HZ | CZ | CE2 | HE2 | 0.1° | 0.0° |
| HE2 | CE2 | CD2 | HD2 | 0.2° | 0.1° |
