1TQ
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 | 1.54Å | |
| CA | C | sing | 1.52Å | 1.53Å | |
| CA | HA | sing | 1.10Å | 1.10Å | |
| C | O | doub | 1.23Å | 1.25Å | |
| C | OXT | sing | 1.36Å | 1.32Å | |
| CB | CG | sing | 1.48Å | 1.49Å | |
| CB | HB2 | sing | 1.11Å | 1.10Å | |
| CB | HB3 | sing | 1.11Å | 1.10Å | |
| CG | CD2 | sing | 1.42Å | 1.46Å | Aromatic |
| CG | CD1 | doub | 1.38Å | 1.34Å | Aromatic |
| CD1 | NE1 | sing | 1.37Å | 1.36Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | CE3 | doub | 1.41Å | 1.40Å | Aromatic |
| CD2 | CE2 | sing | 1.40Å | 1.40Å | Aromatic |
| NE1 | CE2 | sing | 1.38Å | 1.36Å | Aromatic |
| NE1 | HE1 | sing | 1.01Å | 1.00Å | |
| CE2 | CZ2 | doub | 1.40Å | 1.36Å | Aromatic |
| CE3 | CZ3 | sing | 1.40Å | 1.39Å | Aromatic |
| CE3 | HE3 | sing | 1.09Å | 1.08Å | |
| CZ2 | CH2 | sing | 1.40Å | 1.36Å | Aromatic |
| CZ2 | O2 | sing | 1.37Å | 1.44Å | |
| CZ3 | CH2 | doub | 1.39Å | 1.39Å | Aromatic |
| CZ3 | HZ3 | sing | 1.09Å | 1.08Å | |
| CH2 | N2 | sing | 1.40Å | 1.56Å | |
| OXT | HXT | sing | 0.98Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| CH3 | O1 | doub | 1.22Å | 1.22Å | |
| CH3 | N2 | sing | 1.39Å | 1.45Å | |
| CH3 | HH3 | sing | 1.10Å | 1.08Å | |
| N2 | HN2 | sing | 1.02Å | 1.00Å |
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 | 113.1° | 110.7° |
| N | CA | C | 106.0° | 111.2° |
| N | CA | HA | 111.3° | 106.2° |
| H | N | H2 | 109.4° | 120.6° |
| CB | CA | C | 114.4° | 111.0° |
| CB | CA | HA | 102.2° | 110.7° |
| CA | CB | CG | 117.9° | 114.1° |
| CA | CB | HB2 | 106.7° | 108.9° |
| CA | CB | HB3 | 104.8° | 108.6° |
| C | CA | HA | 109.9° | 106.9° |
| CA | C | O | 119.7° | 123.0° |
| CA | C | OXT | 116.1° | 114.8° |
| O | C | OXT | 124.2° | 122.2° |
| C | OXT | HXT | 109.5° | 114.8° |
| CG | CB | HB2 | 106.7° | 109.6° |
| CG | CB | HB3 | 104.8° | 111.3° |
| CB | CG | CD2 | 129.9° | 126.5° |
| CB | CG | CD1 | 124.4° | 125.8° |
| HB2 | CB | HB3 | 116.4° | 103.7° |
| CD2 | CG | CD1 | 105.5° | 107.7° |
| CG | CD2 | CE3 | 135.2° | 134.2° |
| CG | CD2 | CE2 | 106.6° | 107.1° |
| CG | CD1 | NE1 | 111.3° | 107.9° |
| CG | CD1 | HD1 | 124.3° | 131.6° |
| NE1 | CD1 | HD1 | 124.3° | 120.5° |
| CD1 | NE1 | CE2 | 109.1° | 110.2° |
| CD1 | NE1 | HE1 | 125.5° | 125.0° |
| CE3 | CD2 | CE2 | 118.2° | 118.8° |
| CD2 | CE3 | CZ3 | 118.9° | 119.1° |
| CD2 | CE3 | HE3 | 120.6° | 120.9° |
| CD2 | CE2 | NE1 | 107.4° | 107.1° |
| CD2 | CE2 | CZ2 | 123.1° | 122.7° |
| CE2 | NE1 | HE1 | 125.5° | 124.9° |
| NE1 | CE2 | CZ2 | 129.5° | 130.2° |
| CE2 | CZ2 | CH2 | 118.0° | 117.5° |
| CE2 | CZ2 | O2 | 118.7° | 121.3° |
| CZ3 | CE3 | HE3 | 120.6° | 119.9° |
| CE3 | CZ3 | CH2 | 120.5° | 120.8° |
| CE3 | CZ3 | HZ3 | 119.7° | 118.8° |
| CH2 | CZ2 | O2 | 123.2° | 121.2° |
| CZ2 | CH2 | CZ3 | 121.3° | 121.1° |
| CZ2 | CH2 | N2 | 116.6° | 120.0° |
| CZ2 | O2 | HO2 | 109.5° | 110.0° |
| CH2 | CZ3 | HZ3 | 119.7° | 120.4° |
| CZ3 | CH2 | N2 | 122.1° | 118.9° |
| CH2 | N2 | CH3 | 124.9° | 127.9° |
| CH2 | N2 | HN2 | 117.5° | 116.8° |
| O1 | CH3 | N2 | 120.4° | 129.7° |
| O1 | CH3 | HH3 | 119.8° | 120.3° |
| N2 | CH3 | HH3 | 119.8° | 110.0° |
| CH3 | N2 | HN2 | 117.5° | 115.3° |
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 | 121.4° | 123.9° |
| N | CA | CB | HA | 119.8° | 117.5° |
| N | CA | C | HA | 120.4° | 115.5° |
| N | CA | C | O | 15.4° | 34.5° |
| N | CA | C | OXT | 161.2° | 145.1° |
| N | CA | CB | CG | 57.0° | 157.4° |
| N | CA | CB | HB2 | 63.0° | 34.6° |
| N | CA | CB | HB3 | 172.9° | 77.8° |
| H | N | CA | CB | 141.8° | 111.7° |
| H | N | CA | C | 15.7° | 12.2° |
| H | N | CA | HA | 103.7° | 128.1° |
| H2 | N | CA | CB | 21.8° | 81.7° |
| H2 | N | CA | C | 104.3° | 154.4° |
| H2 | N | CA | HA | 136.3° | 38.5° |
| CB | CA | C | HA | 114.3° | 120.8° |
| CB | CA | C | O | 109.9° | 89.2° |
| CB | CA | C | OXT | 73.5° | 91.3° |
| CA | CB | CG | HB2 | 120.0° | 122.4° |
| CA | CB | CG | HB3 | 116.0° | 123.3° |
| CA | CB | HB2 | HB3 | 116.5° | 115.5° |
| CA | CB | CG | CD2 | 89.0° | 90.0° |
| CA | CB | CG | CD1 | 94.7° | 90.0° |
| CA | C | O | OXT | 176.4° | 179.5° |
| C | CA | CB | CG | 64.5° | 78.6° |
| C | CA | CB | HB2 | 175.5° | 158.5° |
| C | CA | CB | HB3 | 51.5° | 46.2° |
| CA | C | OXT | HXT | 176.5° | 179.6° |
| HA | CA | C | O | 135.8° | 150.0° |
| HA | CA | C | OXT | 40.8° | 29.5° |
| HA | CA | CB | CG | 176.8° | 40.0° |
| HA | CA | CB | HB2 | 56.8° | 82.9° |
| HA | CA | CB | HB3 | 67.2° | 164.8° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| CG | CB | HB2 | HB3 | 116.5° | 119.0° |
| CB | CG | CD2 | CD1 | 176.8° | 180.0° |
| CB | CG | CD1 | NE1 | 176.8° | 180.0° |
| CB | CG | CD1 | HD1 | 3.2° | 0.1° |
| CB | CG | CD2 | CE3 | 2.2° | 0.0° |
| CB | CG | CD2 | CE2 | 177.3° | 180.0° |
| HB2 | CB | CG | CD2 | 31.0° | 147.5° |
| HB2 | CB | CG | CD1 | 145.3° | 32.5° |
| HB3 | CB | CG | CD2 | 155.0° | 33.3° |
| HB3 | CB | CG | CD1 | 21.3° | 146.7° |
| CD2 | CG | CD1 | NE1 | 0.3° | 0.0° |
| CD2 | CG | CD1 | HD1 | 179.8° | 179.9° |
| CG | CD2 | CE3 | CE2 | 179.4° | 180.0° |
| CG | CD2 | CE2 | NE1 | 1.0° | 0.0° |
| CG | CD2 | CE2 | CZ2 | 179.7° | 180.0° |
| CG | CD2 | CE3 | CZ3 | 178.9° | 180.0° |
| CG | CD2 | CE3 | HE3 | 1.1° | 0.0° |
| CG | CD1 | NE1 | HD1 | 180.0° | 179.9° |
| CD1 | CG | CD2 | CE3 | 179.1° | 180.0° |
| CD1 | CG | CD2 | CE2 | 0.4° | 0.0° |
| CG | CD1 | NE1 | CE2 | 0.9° | 0.0° |
| CG | CD1 | NE1 | HE1 | 179.1° | 180.0° |
| CD1 | NE1 | CE2 | CD2 | 1.1° | 0.0° |
| CD1 | NE1 | CE2 | HE1 | 180.0° | 179.9° |
| CD1 | NE1 | CE2 | CZ2 | 179.6° | 180.0° |
| HD1 | CD1 | NE1 | CE2 | 179.1° | 179.9° |
| HD1 | CD1 | NE1 | HE1 | 0.9° | 0.0° |
| CE3 | CD2 | CE2 | NE1 | 178.6° | 180.0° |
| CE3 | CD2 | CE2 | CZ2 | 0.7° | 0.0° |
| CD2 | CE3 | CZ3 | HE3 | 180.0° | 180.0° |
| CD2 | CE3 | CZ3 | CH2 | 1.3° | 0.0° |
| CD2 | CE3 | CZ3 | HZ3 | 178.7° | 180.0° |
| CD2 | CE2 | NE1 | CZ2 | 179.3° | 180.0° |
| CD2 | CE2 | NE1 | HE1 | 178.9° | 180.0° |
| CE2 | CD2 | CE3 | CZ3 | 0.5° | 0.0° |
| CE2 | CD2 | CE3 | HE3 | 179.5° | 180.0° |
| CD2 | CE2 | CZ2 | CH2 | 1.1° | 0.0° |
| CD2 | CE2 | CZ2 | O2 | 174.5° | 180.0° |
| NE1 | CE2 | CZ2 | CH2 | 178.1° | 180.0° |
| NE1 | CE2 | CZ2 | O2 | 6.3° | 0.0° |
| HE1 | NE1 | CE2 | CZ2 | 0.4° | 0.0° |
| CE2 | CZ2 | CH2 | O2 | 175.4° | 180.0° |
| CE2 | CZ2 | CH2 | CZ3 | 0.3° | 0.0° |
| CE2 | CZ2 | CH2 | N2 | 179.3° | 180.0° |
| CE2 | CZ2 | O2 | HO2 | 7.6° | 58.4° |
| CE3 | CZ3 | CH2 | CZ2 | 0.9° | 0.1° |
| CE3 | CZ3 | CH2 | HZ3 | 180.0° | 179.9° |
| CE3 | CZ3 | CH2 | N2 | 179.5° | 180.0° |
| HE3 | CE3 | CZ3 | CH2 | 178.7° | 180.0° |
| HE3 | CE3 | CZ3 | HZ3 | 1.3° | 0.0° |
| CZ2 | CH2 | CZ3 | N2 | 179.6° | 179.9° |
| CZ2 | CH2 | CZ3 | HZ3 | 179.1° | 180.0° |
| CH2 | CZ2 | O2 | HO2 | 167.7° | 121.6° |
| CZ2 | CH2 | N2 | CH3 | 169.9° | 180.0° |
| CZ2 | CH2 | N2 | HN2 | 10.1° | 0.0° |
| O2 | CZ2 | CH2 | CZ3 | 175.1° | 180.0° |
| O2 | CZ2 | CH2 | N2 | 5.3° | 0.0° |
| CZ3 | CH2 | N2 | CH3 | 9.7° | 0.1° |
| CZ3 | CH2 | N2 | HN2 | 170.3° | 180.0° |
| HZ3 | CZ3 | CH2 | N2 | 0.5° | 0.1° |
| CH2 | N2 | CH3 | O1 | 31.1° | 0.1° |
| CH2 | N2 | CH3 | HN2 | 180.0° | 179.9° |
| CH2 | N2 | CH3 | HH3 | 148.9° | 180.0° |
| O1 | CH3 | N2 | HH3 | 180.0° | 179.9° |
| O1 | CH3 | N2 | HN2 | 148.9° | 180.0° |
| HH3 | CH3 | N2 | HN2 | 31.1° | 0.0° |
