4PQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAD | CZ3 | sing | 1.36Å | 1.40Å | |
| CZ3 | CE3 | doub | 1.38Å | 1.43Å | Aromatic |
| CZ3 | CH2 | sing | 1.39Å | 1.44Å | Aromatic |
| CE3 | CD2 | sing | 1.40Å | 1.37Å | Aromatic |
| CH2 | CZ2 | doub | 1.38Å | 1.40Å | Aromatic |
| CD2 | CE2 | doub | 1.41Å | 1.42Å | Aromatic |
| CD2 | CG | sing | 1.46Å | 1.43Å | Aromatic |
| CZ2 | CE2 | sing | 1.39Å | 1.34Å | Aromatic |
| CB | CG | sing | 1.51Å | 1.51Å | |
| CB | CA | sing | 1.53Å | 1.51Å | |
| CE2 | NE1 | sing | 1.38Å | 1.41Å | Aromatic |
| N | CA | sing | 1.47Å | 1.42Å | |
| CG | CD1 | doub | 1.34Å | 1.34Å | Aromatic |
| CA | C | sing | 1.51Å | 1.50Å | |
| NE1 | CD1 | sing | 1.37Å | 1.35Å | Aromatic |
| C | O | doub | 1.21Å | 1.26Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CD1 | H7 | sing | 1.08Å | 1.08Å | |
| NE1 | H8 | sing | 0.97Å | 1.00Å | |
| CZ2 | H9 | sing | 1.08Å | 1.08Å | |
| CH2 | H10 | sing | 1.08Å | 1.08Å | |
| CE3 | H11 | sing | 1.08Å | 1.08Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| OAD | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAD | CZ3 | CE3 | 119.7° | 119.8° |
| OAD | CZ3 | CH2 | 119.0° | 119.9° |
| CZ3 | OAD | H13 | 109.5° | 114.0° |
| CE3 | CZ3 | CH2 | 121.3° | 120.3° |
| CZ3 | CE3 | CD2 | 117.9° | 119.6° |
| CZ3 | CE3 | H11 | 121.0° | 120.2° |
| CZ3 | CH2 | CZ2 | 117.9° | 120.6° |
| CZ3 | CH2 | H10 | 121.1° | 119.7° |
| CE3 | CD2 | CE2 | 119.8° | 120.0° |
| CE3 | CD2 | CG | 136.1° | 133.9° |
| CD2 | CE3 | H11 | 121.1° | 120.2° |
| CH2 | CZ2 | CE2 | 119.9° | 120.0° |
| CH2 | CZ2 | H9 | 120.0° | 120.0° |
| CZ2 | CH2 | H10 | 121.1° | 119.7° |
| CE2 | CD2 | CG | 104.1° | 106.1° |
| CD2 | CE2 | CZ2 | 123.2° | 119.5° |
| CD2 | CE2 | NE1 | 104.2° | 107.1° |
| CD2 | CG | CB | 121.0° | 126.5° |
| CD2 | CG | CD1 | 113.5° | 107.0° |
| CZ2 | CE2 | NE1 | 132.6° | 133.3° |
| CE2 | CZ2 | H9 | 120.1° | 120.0° |
| CG | CB | CA | 113.2° | 109.5° |
| CB | CG | CD1 | 125.5° | 126.5° |
| CG | CB | H5 | 108.6° | 109.5° |
| CG | CB | H6 | 108.5° | 109.5° |
| CB | CA | N | 110.8° | 109.4° |
| CB | CA | C | 109.1° | 109.5° |
| CB | CA | HA | 107.9° | 109.4° |
| CA | CB | H5 | 108.5° | 109.5° |
| CA | CB | H6 | 108.6° | 109.5° |
| CE2 | NE1 | CD1 | 114.1° | 109.8° |
| CE2 | NE1 | H8 | 123.0° | 125.0° |
| N | CA | C | 111.9° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 109.1° | 109.5° |
| CG | CD1 | NE1 | 104.1° | 110.0° |
| CG | CD1 | H7 | 128.0° | 125.0° |
| CA | C | O | 119.3° | 120.0° |
| CA | C | OXT | 120.0° | 120.0° |
| C | CA | HA | 108.0° | 109.5° |
| NE1 | CD1 | H7 | 127.9° | 125.1° |
| CD1 | NE1 | H8 | 122.9° | 125.1° |
| O | C | OXT | 120.7° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H | N | H2 | 109.5° | 111.0° |
| H5 | CB | H6 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAD | CZ3 | CE3 | CH2 | 179.9° | 179.7° |
| OAD | CZ3 | CE3 | CD2 | 179.3° | 179.9° |
| OAD | CZ3 | CH2 | CZ2 | 179.6° | 179.7° |
| OAD | CZ3 | CH2 | H10 | 0.4° | 0.3° |
| OAD | CZ3 | CE3 | H11 | 0.7° | 0.3° |
| CZ3 | CE3 | CD2 | H11 | 180.0° | 179.8° |
| CE3 | CZ3 | CH2 | CZ2 | 0.5° | 0.0° |
| CZ3 | CE3 | CD2 | CE2 | 1.0° | 0.5° |
| CZ3 | CE3 | CD2 | CG | 179.5° | 179.6° |
| CE3 | CZ3 | CH2 | H10 | 179.5° | 180.0° |
| CE3 | CZ3 | OAD | H13 | 180.0° | 90.0° |
| CH2 | CZ3 | CE3 | CD2 | 0.6° | 0.3° |
| CZ3 | CH2 | CZ2 | H10 | 180.0° | 180.0° |
| CZ3 | CH2 | CZ2 | CE2 | 1.1° | 0.0° |
| CZ3 | CH2 | CZ2 | H9 | 178.9° | 180.0° |
| CH2 | CZ3 | CE3 | H11 | 179.4° | 179.9° |
| CH2 | CZ3 | OAD | H13 | 0.1° | 89.7° |
| CE3 | CD2 | CE2 | CG | 179.6° | 179.3° |
| CE3 | CD2 | CE2 | CZ2 | 0.5° | 0.6° |
| CE3 | CD2 | CG | CB | 0.8° | 0.7° |
| CE3 | CD2 | CE2 | NE1 | 179.7° | 179.7° |
| CE3 | CD2 | CG | CD1 | 179.5° | 179.5° |
| CH2 | CZ2 | CE2 | CD2 | 0.6° | 0.3° |
| CH2 | CZ2 | CE2 | H9 | 180.0° | 180.0° |
| CH2 | CZ2 | CE2 | NE1 | 179.2° | 180.0° |
| CD2 | CE2 | CZ2 | NE1 | 179.8° | 179.7° |
| CE2 | CD2 | CG | CB | 178.7° | 179.9° |
| CE2 | CD2 | CG | CD1 | 0.0° | 0.4° |
| CD2 | CE2 | NE1 | CD1 | 0.1° | 0.2° |
| CD2 | CE2 | NE1 | H8 | 179.9° | 179.7° |
| CD2 | CE2 | CZ2 | H9 | 179.4° | 179.7° |
| CE2 | CD2 | CE3 | H11 | 178.9° | 179.7° |
| CG | CD2 | CE2 | CZ2 | 179.9° | 179.9° |
| CD2 | CG | CB | CD1 | 178.6° | 179.7° |
| CD2 | CG | CB | CA | 105.8° | 84.7° |
| CG | CD2 | CE2 | NE1 | 0.0° | 0.4° |
| CD2 | CG | CD1 | NE1 | 0.0° | 0.2° |
| CD2 | CG | CB | H5 | 14.7° | 35.3° |
| CD2 | CG | CB | H6 | 133.6° | 155.3° |
| CD2 | CG | CD1 | H7 | 180.0° | 179.8° |
| CG | CD2 | CE3 | H11 | 0.6° | 0.6° |
| CZ2 | CE2 | NE1 | CD1 | 179.9° | 180.0° |
| CZ2 | CE2 | NE1 | H8 | 0.1° | 0.0° |
| CE2 | CZ2 | CH2 | H10 | 178.9° | 180.0° |
| CG | CB | CA | H5 | 120.6° | 120.0° |
| CG | CB | CA | H6 | 120.5° | 120.0° |
| CG | CB | CA | N | 55.5° | 65.0° |
| CG | CB | CA | C | 68.1° | 175.0° |
| CB | CG | CD1 | NE1 | 178.7° | 180.0° |
| CG | CB | CA | HA | 174.8° | 55.0° |
| CG | CB | H5 | H6 | 118.3° | 120.0° |
| CB | CG | CD1 | H7 | 1.3° | 0.1° |
| CB | CA | N | C | 122.0° | 120.0° |
| CB | CA | N | HA | 118.6° | 119.9° |
| CA | CB | CG | CD1 | 75.6° | 95.0° |
| CB | CA | C | HA | 117.0° | 120.0° |
| CB | CA | C | O | 47.3° | 100.0° |
| CB | CA | C | OXT | 133.6° | 80.0° |
| CB | CA | N | H | 180.0° | 176.1° |
| CB | CA | N | H2 | 60.0° | 60.1° |
| CA | CB | H5 | H6 | 118.3° | 120.0° |
| CE2 | NE1 | CD1 | CG | 0.1° | 0.0° |
| CE2 | NE1 | CD1 | H8 | 180.0° | 180.0° |
| CE2 | NE1 | CD1 | H7 | 179.9° | 180.0° |
| NE1 | CE2 | CZ2 | H9 | 0.8° | 0.0° |
| N | CA | C | HA | 120.0° | 120.0° |
| N | CA | C | O | 170.2° | 20.0° |
| N | CA | C | OXT | 10.6° | 160.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | H5 | 65.1° | 55.1° |
| N | CA | CB | H6 | 176.0° | 175.0° |
| CG | CD1 | NE1 | H7 | 180.0° | 180.0° |
| CD1 | CG | CB | H5 | 163.8° | 145.0° |
| CD1 | CG | CB | H6 | 44.9° | 25.0° |
| CG | CD1 | NE1 | H8 | 179.9° | 180.0° |
| CA | C | O | OXT | 179.1° | 180.0° |
| C | CA | N | H | 58.0° | 63.9° |
| C | CA | N | H2 | 62.0° | 59.9° |
| C | CA | CB | H5 | 171.3° | 65.0° |
| C | CA | CB | H6 | 52.4° | 55.0° |
| CA | C | OXT | HXT | 179.1° | 180.0° |
| O | C | CA | HA | 69.7° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | HA | 109.4° | 40.0° |
| H | N | CA | HA | 61.4° | 56.1° |
| H2 | N | CA | HA | 178.6° | 180.0° |
| HA | CA | CB | H5 | 54.2° | 175.0° |
| HA | CA | CB | H6 | 64.7° | 65.0° |
| H7 | CD1 | NE1 | H8 | 0.1° | 0.0° |
| H9 | CZ2 | CH2 | H10 | 1.1° | 0.0° |
