PQ4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.22Å | 1.22Å | |
| C | CA | sing | 1.47Å | 1.46Å | |
| CD2 | CE2 | doub | 1.38Å | 1.38Å | Aromatic |
| CD2 | CG | sing | 1.40Å | 1.39Å | Aromatic |
| CA | CB | doub | 1.35Å | 1.34Å | |
| CA | N | sing | 1.40Å | 1.39Å | |
| CB | CG | sing | 1.47Å | 1.45Å | |
| CE2 | CZ | sing | 1.39Å | 1.39Å | Aromatic |
| CG | CD1 | doub | 1.40Å | 1.36Å | Aromatic |
| CZ | OH | sing | 1.36Å | 1.35Å | |
| CZ | CE1 | doub | 1.39Å | 1.39Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.39Å | Aromatic |
| C | OXT | sing | 1.35Å | 1.35Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| CB | HB2 | sing | 1.08Å | 1.08Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| OH | HH | sing | 0.97Å | 0.95Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 113.6° | 120.0° |
| O | C | OXT | 121.3° | 120.0° |
| C | CA | CB | 116.7° | 120.0° |
| C | CA | N | 102.6° | 120.0° |
| CA | C | OXT | 125.0° | 120.0° |
| CE2 | CD2 | CG | 120.0° | 119.9° |
| CD2 | CE2 | CZ | 118.5° | 120.1° |
| CD2 | CE2 | HE2 | 120.7° | 119.9° |
| CE2 | CD2 | HD2 | 120.0° | 120.1° |
| CD2 | CG | CB | 118.3° | 120.1° |
| CD2 | CG | CD1 | 121.1° | 119.8° |
| CG | CD2 | HD2 | 120.0° | 120.0° |
| CB | CA | N | 140.4° | 120.0° |
| CA | CB | CG | 138.1° | 120.0° |
| CA | CB | HB2 | 111.0° | 120.0° |
| CA | N | H | 109.5° | 120.0° |
| CA | N | H2 | 109.5° | 119.9° |
| CB | CG | CD1 | 120.6° | 120.1° |
| CG | CB | HB2 | 111.0° | 120.0° |
| CE2 | CZ | OH | 118.3° | 119.9° |
| CE2 | CZ | CE1 | 121.4° | 120.3° |
| CZ | CE2 | HE2 | 120.8° | 120.0° |
| CG | CD1 | CE1 | 120.0° | 119.9° |
| CG | CD1 | HD1 | 120.0° | 120.1° |
| OH | CZ | CE1 | 120.3° | 119.9° |
| CZ | OH | HH | 109.5° | 114.0° |
| CZ | CE1 | CD1 | 119.0° | 120.1° |
| CZ | CE1 | HE1 | 120.6° | 119.9° |
| CE1 | CD1 | HD1 | 120.0° | 120.1° |
| CD1 | CE1 | HE1 | 120.5° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H | N | H2 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 174.5° | 179.9° |
| O | C | CA | CB | 30.7° | 0.1° |
| O | C | CA | N | 144.2° | 180.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| C | CA | CB | N | 172.2° | 180.0° |
| C | CA | CB | CG | 177.7° | 171.6° |
| C | CA | N | H | 180.0° | 156.6° |
| C | CA | N | H2 | 60.0° | 23.1° |
| C | CA | CB | HB2 | 2.4° | 8.5° |
| CA | C | OXT | HXT | 174.1° | 180.0° |
| CE2 | CD2 | CG | HD2 | 180.0° | 179.4° |
| CE2 | CD2 | CG | CB | 179.5° | 179.7° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 179.8° |
| CE2 | CD2 | CG | CD1 | 1.6° | 0.6° |
| CD2 | CE2 | CZ | OH | 179.8° | 179.7° |
| CD2 | CE2 | CZ | CE1 | 0.6° | 0.2° |
| CD2 | CG | CB | CA | 149.1° | 27.4° |
| CD2 | CG | CB | CD1 | 178.9° | 179.7° |
| CG | CD2 | CE2 | CZ | 1.6° | 0.6° |
| CD2 | CG | CD1 | CE1 | 0.7° | 0.3° |
| CD2 | CG | CB | HB2 | 30.9° | 152.6° |
| CD2 | CG | CD1 | HD1 | 179.3° | 179.7° |
| CG | CD2 | CE2 | HE2 | 178.4° | 179.7° |
| CA | CB | CG | HB2 | 180.0° | 180.0° |
| CA | CB | CG | CD1 | 32.0° | 152.3° |
| CB | CA | C | OXT | 143.8° | 180.0° |
| CB | CA | N | H | 7.2° | 23.4° |
| CB | CA | N | H2 | 112.8° | 156.9° |
| N | CA | CB | CG | 5.5° | 8.4° |
| N | CA | C | OXT | 41.3° | 0.0° |
| CA | N | H | H2 | 120.0° | 179.7° |
| N | CA | CB | HB2 | 174.5° | 171.6° |
| CB | CG | CD1 | CE1 | 179.5° | 180.0° |
| CB | CG | CD1 | HD1 | 0.4° | 0.0° |
| CB | CG | CD2 | HD2 | 0.5° | 0.3° |
| CE2 | CZ | OH | CE1 | 179.6° | 180.0° |
| CE2 | CZ | CE1 | CD1 | 0.3° | 0.1° |
| CE2 | CZ | CE1 | HE1 | 179.7° | 180.0° |
| CE2 | CZ | OH | HH | 180.0° | 90.0° |
| CZ | CE2 | CD2 | HD2 | 178.4° | 180.0° |
| CG | CD1 | CE1 | CZ | 0.3° | 0.1° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG | CB | HB2 | 148.0° | 27.7° |
| CG | CD1 | CE1 | HE1 | 179.7° | 180.0° |
| CD1 | CG | CD2 | HD2 | 178.3° | 180.0° |
| OH | CZ | CE1 | CD1 | 179.2° | 180.0° |
| OH | CZ | CE1 | HE1 | 0.7° | 0.0° |
| OH | CZ | CE2 | HE2 | 0.2° | 0.1° |
| CZ | CE1 | CD1 | HE1 | 180.0° | 179.9° |
| CZ | CE1 | CD1 | HD1 | 179.7° | 180.0° |
| CE1 | CZ | OH | HH | 0.4° | 90.0° |
| CE1 | CZ | CE2 | HE2 | 179.4° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 0.2° | 0.0° |
| HE2 | CE2 | CD2 | HD2 | 1.6° | 0.2° |
