TOQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.26Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| O6 | CH2 | sing | 1.36Å | 1.37Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O7 | CZ2 | sing | 1.36Å | 1.38Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CA | sing | 1.53Å | 1.54Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CG | CB | sing | 1.51Å | 1.53Å | |
| CG | CD1 | doub | 1.34Å | 1.43Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | CG | sing | 1.47Å | 1.40Å | Aromatic |
| NE1 | CD1 | sing | 1.37Å | 1.31Å | Aromatic |
| NE1 | HNE1 | sing | 0.97Å | 1.00Å | |
| CE2 | CD2 | sing | 1.41Å | 1.40Å | Aromatic |
| CE2 | NE1 | sing | 1.38Å | 1.35Å | Aromatic |
| CE3 | CD2 | doub | 1.40Å | 1.44Å | Aromatic |
| CE3 | HE3 | sing | 1.08Å | 1.08Å | |
| CH2 | CZ3 | doub | 1.39Å | 1.41Å | Aromatic |
| CH2 | CZ2 | sing | 1.39Å | 1.40Å | Aromatic |
| CZ2 | CE2 | doub | 1.39Å | 1.39Å | Aromatic |
| CZ3 | CE3 | sing | 1.37Å | 1.40Å | Aromatic |
| CZ3 | HZ3 | 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 | OXT | 118.9° | 120.0° |
| O | C | CA | 122.2° | 120.0° |
| OXT | C | CA | 118.9° | 119.9° |
| C | OXT | HXT | 109.5° | 116.9° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 110.9° |
| N | CA | C | 105.0° | 109.4° |
| N | CA | HA | 113.3° | 109.4° |
| N | CA | CB | 112.4° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| CH2 | O6 | HO6 | 109.5° | 114.0° |
| O6 | CH2 | CZ3 | 120.0° | 119.7° |
| O6 | CH2 | CZ2 | 117.8° | 119.8° |
| CZ2 | O7 | HO7 | 109.5° | 114.0° |
| O7 | CZ2 | CH2 | 117.3° | 120.2° |
| O7 | CZ2 | CE2 | 122.3° | 120.2° |
| C | CA | HA | 109.0° | 109.5° |
| C | CA | CB | 116.3° | 109.5° |
| HA | CA | CB | 101.1° | 109.5° |
| CA | CB | HB | 108.7° | 109.5° |
| CA | CB | HBA | 108.7° | 109.5° |
| CA | CB | CG | 111.8° | 109.5° |
| HB | CB | HBA | 110.2° | 109.5° |
| HB | CB | CG | 108.7° | 109.5° |
| HBA | CB | CG | 108.7° | 109.4° |
| CB | CG | CD1 | 119.9° | 126.5° |
| CB | CG | CD2 | 133.6° | 126.5° |
| CG | CD1 | HD1 | 125.9° | 125.1° |
| CD1 | CG | CD2 | 106.5° | 107.1° |
| CG | CD1 | NE1 | 108.2° | 109.9° |
| HD1 | CD1 | NE1 | 125.9° | 125.0° |
| CG | CD2 | CE2 | 105.6° | 106.1° |
| CG | CD2 | CE3 | 134.2° | 133.9° |
| CD1 | NE1 | HNE1 | 124.5° | 125.1° |
| CD1 | NE1 | CE2 | 111.1° | 109.8° |
| HNE1 | NE1 | CE2 | 124.5° | 125.1° |
| CD2 | CE2 | NE1 | 108.6° | 107.1° |
| CE2 | CD2 | CE3 | 120.2° | 120.0° |
| CD2 | CE2 | CZ2 | 119.4° | 119.4° |
| NE1 | CE2 | CZ2 | 132.0° | 133.4° |
| CD2 | CE3 | HE3 | 119.9° | 120.0° |
| CD2 | CE3 | CZ3 | 120.2° | 119.9° |
| HE3 | CE3 | CZ3 | 119.9° | 120.1° |
| CZ3 | CH2 | CZ2 | 122.2° | 120.5° |
| CH2 | CZ3 | CE3 | 117.6° | 120.5° |
| CH2 | CZ3 | HZ3 | 121.2° | 119.8° |
| CH2 | CZ2 | CE2 | 120.3° | 119.6° |
| CE3 | CZ3 | HZ3 | 121.2° | 119.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | OXT | CA | 180.0° | 179.7° |
| O | C | CA | N | 24.5° | 20.0° |
| O | C | CA | HA | 146.2° | 140.0° |
| O | C | CA | CB | 100.4° | 100.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| OXT | C | CA | N | 155.5° | 160.2° |
| OXT | C | CA | HA | 33.8° | 40.3° |
| OXT | C | CA | CB | 79.6° | 79.7° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | C | HA | 121.7° | 119.9° |
| N | CA | C | CB | 124.9° | 120.0° |
| N | CA | HA | CB | 120.4° | 120.0° |
| N | CA | CB | HB | 176.0° | 55.0° |
| N | CA | CB | HBA | 64.0° | 175.1° |
| N | CA | CB | CG | 56.0° | 65.0° |
| H | N | CA | C | 180.0° | 63.9° |
| H | N | CA | HA | 61.2° | 56.1° |
| H | N | CA | CB | 52.6° | 176.1° |
| H2 | N | CA | C | 60.0° | 60.0° |
| H2 | N | CA | HA | 58.9° | 180.0° |
| H2 | N | CA | CB | 172.7° | 60.0° |
| O6 | CH2 | CZ2 | O7 | 0.7° | 0.0° |
| O6 | CH2 | CZ3 | CZ2 | 177.4° | 180.0° |
| O6 | CH2 | CZ2 | CE2 | 177.2° | 180.0° |
| O6 | CH2 | CZ3 | CE3 | 177.8° | 180.0° |
| O6 | CH2 | CZ3 | HZ3 | 2.2° | 0.0° |
| HO6 | O6 | CH2 | CZ3 | 180.0° | 90.1° |
| HO6 | O6 | CH2 | CZ2 | 2.5° | 89.9° |
| O7 | CZ2 | CE2 | CD2 | 176.8° | 180.0° |
| O7 | CZ2 | CE2 | NE1 | 5.4° | 0.1° |
| O7 | CZ2 | CH2 | CZ3 | 176.7° | 180.0° |
| O7 | CZ2 | CH2 | CE2 | 176.4° | 180.0° |
| HO7 | O7 | CZ2 | CH2 | 180.0° | 90.0° |
| HO7 | O7 | CZ2 | CE2 | 3.7° | 90.0° |
| C | CA | HA | CB | 123.1° | 120.1° |
| C | CA | CB | HB | 54.9° | 65.0° |
| C | CA | CB | HBA | 175.0° | 55.1° |
| C | CA | CB | CG | 65.0° | 175.0° |
| CA | C | OXT | HXT | 180.0° | 179.8° |
| HA | CA | CB | HB | 62.9° | 175.0° |
| HA | CA | CB | HBA | 57.1° | 65.0° |
| HA | CA | CB | CG | 177.1° | 55.0° |
| CA | CB | HB | HBA | 119.1° | 120.0° |
| CA | CB | HB | CG | 121.9° | 120.0° |
| CA | CB | HBA | CG | 121.9° | 120.0° |
| CA | CB | CG | CD1 | 92.8° | 95.0° |
| CA | CB | CG | CD2 | 89.7° | 84.7° |
| HB | CB | HBA | CG | 119.1° | 120.0° |
| HB | CB | CG | CD1 | 27.1° | 145.0° |
| HB | CB | CG | CD2 | 150.3° | 35.3° |
| HBA | CB | CG | CD1 | 147.2° | 25.0° |
| HBA | CB | CG | CD2 | 30.3° | 155.3° |
| CB | CG | CD1 | CD2 | 178.1° | 179.7° |
| CB | CG | CD1 | HD1 | 1.3° | 0.0° |
| CB | CG | CD1 | NE1 | 178.7° | 180.0° |
| CB | CG | CD2 | CE2 | 179.4° | 179.9° |
| CB | CG | CD2 | CE3 | 1.3° | 0.1° |
| CG | CD1 | HD1 | NE1 | 180.0° | 180.0° |
| CG | CD1 | NE1 | HNE1 | 179.2° | 180.0° |
| CD1 | CG | CD2 | CE2 | 1.6° | 0.2° |
| CG | CD1 | NE1 | CE2 | 0.7° | 0.2° |
| CD1 | CG | CD2 | CE3 | 179.0° | 179.8° |
| HD1 | CD1 | CG | CD2 | 179.4° | 179.8° |
| HD1 | CD1 | NE1 | HNE1 | 0.7° | 0.0° |
| HD1 | CD1 | NE1 | CE2 | 179.3° | 179.8° |
| CD2 | CG | CD1 | NE1 | 0.6° | 0.2° |
| CG | CD2 | CE2 | CE3 | 179.5° | 180.0° |
| CG | CD2 | CE2 | NE1 | 2.1° | 0.1° |
| CG | CD2 | CE3 | HE3 | 1.2° | 0.1° |
| CG | CD2 | CE2 | CZ2 | 179.7° | 180.0° |
| CG | CD2 | CE3 | CZ3 | 178.8° | 180.0° |
| CD1 | NE1 | HNE1 | CE2 | 180.0° | 179.8° |
| CD1 | NE1 | CE2 | CD2 | 1.8° | 0.0° |
| CD1 | NE1 | CE2 | CZ2 | 179.7° | 179.9° |
| HNE1 | NE1 | CE2 | CD2 | 178.2° | 179.9° |
| HNE1 | NE1 | CE2 | CZ2 | 0.2° | 0.0° |
| CD2 | CE2 | NE1 | CZ2 | 177.9° | 179.9° |
| CE2 | CD2 | CE3 | HE3 | 179.5° | 179.9° |
| CD2 | CE2 | CZ2 | CH2 | 0.6° | 0.0° |
| CE2 | CD2 | CE3 | CZ3 | 0.5° | 0.0° |
| NE1 | CE2 | CD2 | CE3 | 178.5° | 179.9° |
| NE1 | CE2 | CZ2 | CH2 | 178.3° | 179.9° |
| CD2 | CE3 | HE3 | CZ3 | 180.0° | 179.9° |
| CD2 | CE3 | CZ3 | CH2 | 0.8° | 0.0° |
| CE3 | CD2 | CE2 | CZ2 | 0.2° | 0.0° |
| CD2 | CE3 | CZ3 | HZ3 | 179.2° | 180.0° |
| HE3 | CE3 | CZ3 | CH2 | 179.2° | 179.9° |
| HE3 | CE3 | CZ3 | HZ3 | 0.8° | 0.1° |
| CZ3 | CH2 | CZ2 | CE2 | 0.3° | 0.0° |
| CH2 | CZ3 | CE3 | HZ3 | 180.0° | 180.0° |
| CZ2 | CH2 | CZ3 | CE3 | 0.4° | 0.0° |
| CZ2 | CH2 | CZ3 | HZ3 | 179.5° | 180.0° |
