TTQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.44Å | 1.44Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | CB | sing | 1.55Å | 1.55Å | |
| CA | C | sing | 1.52Å | 1.54Å | |
| CA | HA | sing | 1.10Å | 1.10Å | |
| C | O | doub | 1.23Å | 1.24Å | |
| C | OXT | sing | 1.35Å | 1.34Å | |
| CB | CG | sing | 1.48Å | 1.50Å | |
| CB | HB2 | sing | 1.11Å | 1.10Å | |
| CB | HB3 | sing | 1.11Å | 1.10Å | |
| CG | CD2 | sing | 1.42Å | 1.48Å | Aromatic |
| CG | CD1 | doub | 1.38Å | 1.36Å | Aromatic |
| CD1 | NE1 | sing | 1.37Å | 1.34Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | CE3 | doub | 1.41Å | 1.43Å | Aromatic |
| CD2 | CE2 | sing | 1.40Å | 1.40Å | Aromatic |
| NE1 | CE2 | sing | 1.38Å | 1.37Å | Aromatic |
| NE1 | HE1 | sing | 1.01Å | 1.00Å | |
| CE2 | CZ2 | doub | 1.40Å | 1.39Å | Aromatic |
| CE3 | CZ3 | sing | 1.40Å | 1.37Å | Aromatic |
| CE3 | HE3 | sing | 1.09Å | 1.08Å | |
| CZ2 | CH2 | sing | 1.40Å | 1.37Å | Aromatic |
| CZ2 | O2 | sing | 1.37Å | 1.36Å | |
| CZ3 | CH2 | doub | 1.39Å | 1.37Å | Aromatic |
| CZ3 | HZ3 | sing | 1.09Å | 1.08Å | |
| CH2 | N2 | sing | 1.41Å | 1.42Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| N2 | HN21 | sing | 1.00Å | 1.00Å | |
| N2 | HN22 | sing | 1.00Å | 1.00Å | |
| OXT | HXT | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.5° | 119.0° |
| CA | N | H2 | 109.5° | 119.0° |
| N | CA | CB | 111.8° | 110.7° |
| N | CA | C | 107.4° | 111.2° |
| N | CA | HA | 111.1° | 106.2° |
| H | N | H2 | 109.4° | 120.6° |
| CB | CA | C | 114.3° | 111.1° |
| CB | CA | HA | 103.8° | 110.6° |
| CA | CB | CG | 118.5° | 114.1° |
| CA | CB | HB2 | 106.5° | 108.9° |
| CA | CB | HB3 | 104.5° | 108.6° |
| C | CA | HA | 108.4° | 106.9° |
| CA | C | O | 120.3° | 122.9° |
| CA | C | OXT | 116.4° | 114.9° |
| O | C | OXT | 123.2° | 122.2° |
| C | OXT | HXT | 109.5° | 114.8° |
| CG | CB | HB2 | 106.6° | 109.7° |
| CG | CB | HB3 | 104.4° | 111.3° |
| CB | CG | CD2 | 130.3° | 126.5° |
| CB | CG | CD1 | 124.5° | 125.8° |
| HB2 | CB | HB3 | 116.9° | 103.7° |
| CD2 | CG | CD1 | 105.2° | 107.7° |
| CG | CD2 | CE3 | 136.4° | 134.2° |
| CG | CD2 | CE2 | 106.0° | 107.1° |
| CG | CD1 | NE1 | 110.8° | 107.9° |
| CG | CD1 | HD1 | 124.6° | 131.6° |
| NE1 | CD1 | HD1 | 124.6° | 120.4° |
| CD1 | NE1 | CE2 | 110.4° | 110.1° |
| CD1 | NE1 | HE1 | 124.8° | 125.0° |
| CE3 | CD2 | CE2 | 117.6° | 118.8° |
| CD2 | CE3 | CZ3 | 118.4° | 119.2° |
| CD2 | CE3 | HE3 | 120.8° | 120.9° |
| CD2 | CE2 | NE1 | 107.7° | 107.1° |
| CD2 | CE2 | CZ2 | 122.8° | 122.7° |
| CE2 | NE1 | HE1 | 124.8° | 124.9° |
| NE1 | CE2 | CZ2 | 129.5° | 130.2° |
| CE2 | CZ2 | CH2 | 117.7° | 117.5° |
| CE2 | CZ2 | O2 | 121.1° | 121.4° |
| CZ3 | CE3 | HE3 | 120.8° | 119.9° |
| CE3 | CZ3 | CH2 | 121.9° | 120.8° |
| CE3 | CZ3 | HZ3 | 119.0° | 118.8° |
| CH2 | CZ2 | O2 | 121.2° | 121.1° |
| CZ2 | CH2 | CZ3 | 121.5° | 121.0° |
| CZ2 | CH2 | N2 | 120.7° | 120.0° |
| CZ2 | O2 | HO2 | 109.5° | 110.0° |
| CH2 | CZ3 | HZ3 | 119.0° | 120.3° |
| CZ3 | CH2 | N2 | 117.8° | 119.0° |
| CH2 | N2 | HN21 | 109.5° | 119.0° |
| CH2 | N2 | HN22 | 109.5° | 119.0° |
| HN21 | N2 | HN22 | 109.4° | 121.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 166.4° |
| N | CA | CB | C | 122.3° | 124.0° |
| N | CA | CB | HA | 119.8° | 117.4° |
| N | CA | C | HA | 120.2° | 115.4° |
| N | CA | C | O | 19.1° | 34.5° |
| N | CA | C | OXT | 157.2° | 145.1° |
| N | CA | CB | CG | 57.5° | 157.4° |
| N | CA | CB | HB2 | 62.5° | 34.5° |
| N | CA | CB | HB3 | 173.2° | 77.8° |
| H | N | CA | CB | 146.6° | 111.7° |
| H | N | CA | C | 20.5° | 12.2° |
| H | N | CA | HA | 98.0° | 128.2° |
| H2 | N | CA | CB | 26.6° | 81.7° |
| H2 | N | CA | C | 99.5° | 154.4° |
| H2 | N | CA | HA | 142.0° | 38.4° |
| CB | CA | C | HA | 115.2° | 120.8° |
| CB | CA | C | O | 105.6° | 89.2° |
| CB | CA | C | OXT | 78.2° | 91.2° |
| CA | CB | CG | HB2 | 120.0° | 122.5° |
| CA | CB | CG | HB3 | 115.7° | 123.4° |
| CA | CB | HB2 | HB3 | 116.3° | 115.5° |
| CA | CB | CG | CD2 | 93.9° | 89.9° |
| CA | CB | CG | CD1 | 90.5° | 89.9° |
| CA | C | O | OXT | 176.0° | 179.6° |
| C | CA | CB | CG | 64.8° | 78.6° |
| C | CA | CB | HB2 | 175.2° | 158.5° |
| C | CA | CB | HB3 | 50.9° | 46.2° |
| CA | C | OXT | HXT | 176.1° | 179.6° |
| HA | CA | C | O | 139.2° | 150.0° |
| HA | CA | C | OXT | 37.0° | 29.6° |
| HA | CA | CB | CG | 177.3° | 40.0° |
| HA | CA | CB | HB2 | 57.3° | 82.8° |
| HA | CA | CB | HB3 | 67.0° | 164.9° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| CG | CB | HB2 | HB3 | 116.3° | 119.0° |
| CB | CG | CD2 | CD1 | 176.2° | 179.9° |
| CB | CG | CD1 | NE1 | 177.2° | 179.9° |
| CB | CG | CD1 | HD1 | 2.8° | 0.1° |
| CB | CG | CD2 | CE3 | 4.2° | 0.1° |
| CB | CG | CD2 | CE2 | 177.2° | 179.9° |
| HB2 | CB | CG | CD2 | 26.0° | 32.6° |
| HB2 | CB | CG | CD1 | 149.5° | 147.6° |
| HB3 | CB | CG | CD2 | 150.3° | 146.7° |
| HB3 | CB | CG | CD1 | 25.2° | 33.4° |
| CD2 | CG | CD1 | NE1 | 0.7° | 0.1° |
| CD2 | CG | CD1 | HD1 | 179.3° | 180.0° |
| CG | CD2 | CE3 | CE2 | 178.6° | 179.9° |
| CG | CD2 | CE2 | NE1 | 0.9° | 0.1° |
| CG | CD2 | CE2 | CZ2 | 179.8° | 180.0° |
| CG | CD2 | CE3 | CZ3 | 179.3° | 180.0° |
| CG | CD2 | CE3 | HE3 | 0.7° | 0.0° |
| CG | CD1 | NE1 | HD1 | 180.0° | 179.9° |
| CD1 | CG | CD2 | CE3 | 179.7° | 180.0° |
| CD1 | CG | CD2 | CE2 | 1.0° | 0.1° |
| CG | CD1 | NE1 | CE2 | 0.1° | 0.0° |
| CG | CD1 | NE1 | HE1 | 179.9° | 180.0° |
| CD1 | NE1 | CE2 | CD2 | 0.5° | 0.0° |
| CD1 | NE1 | CE2 | HE1 | 180.0° | 180.0° |
| CD1 | NE1 | CE2 | CZ2 | 179.3° | 180.0° |
| HD1 | CD1 | NE1 | CE2 | 179.9° | 180.0° |
| HD1 | CD1 | NE1 | HE1 | 0.1° | 0.1° |
| CE3 | CD2 | CE2 | NE1 | 179.9° | 180.0° |
| CE3 | CD2 | CE2 | CZ2 | 1.3° | 0.0° |
| CD2 | CE3 | CZ3 | HE3 | 180.0° | 180.0° |
| CD2 | CE3 | CZ3 | CH2 | 2.3° | 0.1° |
| CD2 | CE3 | CZ3 | HZ3 | 177.7° | 180.0° |
| CD2 | CE2 | NE1 | CZ2 | 178.7° | 180.0° |
| CD2 | CE2 | NE1 | HE1 | 179.5° | 180.0° |
| CE2 | CD2 | CE3 | CZ3 | 2.1° | 0.1° |
| CE2 | CD2 | CE3 | HE3 | 177.9° | 180.0° |
| CD2 | CE2 | CZ2 | CH2 | 0.5° | 0.0° |
| CD2 | CE2 | CZ2 | O2 | 179.1° | 180.0° |
| NE1 | CE2 | CZ2 | CH2 | 179.0° | 180.0° |
| NE1 | CE2 | CZ2 | O2 | 0.5° | 0.0° |
| HE1 | NE1 | CE2 | CZ2 | 0.7° | 0.0° |
| CE2 | CZ2 | CH2 | O2 | 179.5° | 180.0° |
| CE2 | CZ2 | CH2 | CZ3 | 0.6° | 0.0° |
| CE2 | CZ2 | CH2 | N2 | 179.7° | 180.0° |
| CE2 | CZ2 | O2 | HO2 | 7.6° | 58.4° |
| CE3 | CZ3 | CH2 | CZ2 | 1.5° | 0.1° |
| CE3 | CZ3 | CH2 | HZ3 | 180.0° | 179.9° |
| CE3 | CZ3 | CH2 | N2 | 179.3° | 180.0° |
| HE3 | CE3 | CZ3 | CH2 | 177.7° | 179.9° |
| HE3 | CE3 | CZ3 | HZ3 | 2.3° | 0.0° |
| CZ2 | CH2 | CZ3 | N2 | 179.2° | 179.9° |
| CZ2 | CH2 | CZ3 | HZ3 | 178.4° | 180.0° |
| CH2 | CZ2 | O2 | HO2 | 172.8° | 121.6° |
| CZ2 | CH2 | N2 | HN21 | 71.8° | 80.6° |
| CZ2 | CH2 | N2 | HN22 | 48.2° | 105.7° |
| O2 | CZ2 | CH2 | CZ3 | 179.0° | 180.0° |
| O2 | CZ2 | CH2 | N2 | 0.2° | 0.0° |
| CZ3 | CH2 | N2 | HN21 | 109.0° | 99.5° |
| CZ3 | CH2 | N2 | HN22 | 131.0° | 74.2° |
| HZ3 | CZ3 | CH2 | N2 | 0.7° | 0.1° |
| CH2 | N2 | HN21 | HN22 | 120.0° | 173.5° |
