TGH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C1 | doub | 1.21Å | 1.21Å | |
| O3 | C1 | sing | 1.34Å | 1.26Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| O1 | C2 | sing | 1.43Å | 1.46Å | |
| C2 | N1 | sing | 1.47Å | 1.54Å | |
| N1 | CH2 | sing | 1.40Å | 1.40Å | |
| O7 | CZ2 | sing | 1.36Å | 1.32Å | |
| CH2 | CZ2 | doub | 1.39Å | 1.48Å | Aromatic |
| CH2 | CZ3 | sing | 1.39Å | 1.44Å | Aromatic |
| CZ2 | CE2 | sing | 1.39Å | 1.49Å | Aromatic |
| CZ3 | CE3 | doub | 1.37Å | 1.45Å | Aromatic |
| CE2 | CD2 | doub | 1.41Å | 1.51Å | Aromatic |
| CE2 | NE1 | sing | 1.38Å | 1.37Å | Aromatic |
| CE3 | CD2 | sing | 1.40Å | 1.44Å | Aromatic |
| CD2 | CG | sing | 1.47Å | 1.50Å | Aromatic |
| NE1 | CD1 | sing | 1.37Å | 1.37Å | Aromatic |
| CD1 | CG | doub | 1.34Å | 1.38Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.51Å | |
| CB | CA | sing | 1.53Å | 1.46Å | |
| N | CA | sing | 1.47Å | 1.48Å | |
| CA | C | sing | 1.51Å | 1.49Å | |
| C | O | doub | 1.21Å | 1.26Å | |
| N | H1 | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| NE1 | HNE1 | sing | 0.97Å | 1.00Å | |
| CE3 | H5 | sing | 1.08Å | 1.08Å | |
| CZ3 | HZ3 | sing | 1.08Å | 1.08Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O3 | H6 | sing | 0.97Å | 0.95Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | O3 | 120.2° | 120.0° |
| O2 | C1 | C2 | 116.6° | 120.0° |
| O3 | C1 | C2 | 123.0° | 120.0° |
| C1 | O3 | H6 | 109.5° | 117.1° |
| C1 | C2 | O1 | 106.7° | 109.5° |
| C1 | C2 | N1 | 135.3° | 109.4° |
| C1 | C2 | H21 | 105.3° | 109.5° |
| O1 | C2 | N1 | 95.4° | 109.5° |
| O1 | C2 | H21 | 106.0° | 109.5° |
| C2 | O1 | HO1 | 109.5° | 114.0° |
| C2 | N1 | CH2 | 114.6° | 120.0° |
| N1 | C2 | H21 | 105.1° | 109.4° |
| C2 | N1 | HN1 | 108.2° | 120.0° |
| N1 | CH2 | CZ2 | 126.8° | 119.7° |
| N1 | CH2 | CZ3 | 118.3° | 119.8° |
| CH2 | N1 | HN1 | 108.2° | 120.0° |
| O7 | CZ2 | CH2 | 120.6° | 120.2° |
| O7 | CZ2 | CE2 | 117.0° | 120.2° |
| CZ2 | O7 | HO7 | 109.5° | 114.0° |
| CZ2 | CH2 | CZ3 | 114.8° | 120.5° |
| CH2 | CZ2 | CE2 | 122.4° | 119.7° |
| CH2 | CZ3 | CE3 | 130.0° | 120.5° |
| CH2 | CZ3 | HZ3 | 115.0° | 119.7° |
| CZ2 | CE2 | CD2 | 114.5° | 119.4° |
| CZ2 | CE2 | NE1 | 139.6° | 133.5° |
| CZ3 | CE3 | CD2 | 111.5° | 119.9° |
| CZ3 | CE3 | H5 | 124.3° | 120.1° |
| CE3 | CZ3 | HZ3 | 115.0° | 119.7° |
| CD2 | CE2 | NE1 | 105.8° | 107.2° |
| CE2 | CD2 | CE3 | 126.8° | 120.1° |
| CE2 | CD2 | CG | 103.9° | 106.1° |
| CE2 | NE1 | CD1 | 113.1° | 109.8° |
| CE2 | NE1 | HNE1 | 123.5° | 125.1° |
| CE3 | CD2 | CG | 129.1° | 133.9° |
| CD2 | CE3 | H5 | 124.3° | 120.0° |
| CD2 | CG | CD1 | 107.3° | 107.0° |
| CD2 | CG | CB | 123.8° | 126.5° |
| NE1 | CD1 | CG | 109.8° | 109.9° |
| NE1 | CD1 | HD1 | 125.1° | 125.0° |
| CD1 | NE1 | HNE1 | 123.5° | 125.1° |
| CD1 | CG | CB | 128.8° | 126.5° |
| CG | CD1 | HD1 | 125.1° | 125.1° |
| CG | CB | CA | 113.6° | 109.4° |
| CG | CB | HB2 | 108.4° | 109.5° |
| CG | CB | HB3 | 108.5° | 109.5° |
| CB | CA | N | 100.4° | 109.5° |
| CB | CA | C | 111.6° | 109.4° |
| CB | CA | HA | 109.3° | 109.5° |
| CA | CB | HB2 | 108.4° | 109.5° |
| CA | CB | HB3 | 108.4° | 109.5° |
| N | CA | C | 117.0° | 109.5° |
| CA | N | H1 | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 109.1° | 109.5° |
| CA | C | O | 120.3° | 120.0° |
| C | CA | HA | 109.0° | 109.5° |
| CA | C | OXT | 114.8° | 120.0° |
| O | C | OXT | 124.9° | 120.0° |
| H1 | N | H2 | 109.5° | 111.0° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | O3 | C2 | 175.0° | 179.9° |
| O2 | C1 | C2 | O1 | 136.1° | 130.0° |
| O2 | C1 | C2 | N1 | 19.9° | 110.0° |
| O2 | C1 | C2 | H21 | 111.4° | 9.9° |
| O2 | C1 | O3 | H6 | 0.0° | 0.0° |
| O3 | C1 | C2 | O1 | 48.7° | 50.0° |
| O3 | C1 | C2 | N1 | 164.9° | 70.0° |
| O3 | C1 | C2 | H21 | 63.7° | 170.0° |
| C1 | C2 | O1 | N1 | 140.6° | 120.0° |
| C1 | C2 | O1 | H21 | 111.9° | 120.0° |
| C1 | C2 | N1 | H21 | 131.4° | 120.0° |
| C1 | C2 | N1 | CH2 | 127.7° | 146.4° |
| C1 | C2 | N1 | HN1 | 6.9° | 33.7° |
| C1 | C2 | O1 | HO1 | 180.0° | 60.0° |
| C2 | C1 | O3 | H6 | 175.1° | 179.9° |
| O1 | C2 | N1 | H21 | 108.2° | 120.0° |
| O1 | C2 | N1 | CH2 | 112.0° | 93.6° |
| O1 | C2 | N1 | HN1 | 127.2° | 86.3° |
| C2 | N1 | CH2 | HN1 | 120.8° | 179.9° |
| C2 | N1 | CH2 | CZ2 | 132.9° | 174.4° |
| C2 | N1 | CH2 | CZ3 | 49.2° | 5.6° |
| N1 | C2 | O1 | HO1 | 39.4° | 60.0° |
| N1 | CH2 | CZ2 | O7 | 2.8° | 0.0° |
| N1 | CH2 | CZ2 | CZ3 | 178.0° | 180.0° |
| N1 | CH2 | CZ2 | CE2 | 179.5° | 179.9° |
| N1 | CH2 | CZ3 | CE3 | 178.2° | 180.0° |
| N1 | CH2 | CZ3 | HZ3 | 1.8° | 0.1° |
| CH2 | N1 | C2 | H21 | 3.7° | 26.4° |
| O7 | CZ2 | CH2 | CE2 | 177.7° | 180.0° |
| O7 | CZ2 | CH2 | CZ3 | 179.1° | 180.0° |
| O7 | CZ2 | CE2 | CD2 | 178.9° | 180.0° |
| O7 | CZ2 | CE2 | NE1 | 1.6° | 0.2° |
| CZ2 | CH2 | CZ3 | CE3 | 0.0° | 0.0° |
| CH2 | CZ2 | CE2 | CD2 | 3.3° | 0.1° |
| CH2 | CZ2 | CE2 | NE1 | 179.4° | 179.8° |
| CZ2 | CH2 | CZ3 | HZ3 | 180.0° | 179.9° |
| CZ2 | CH2 | N1 | HN1 | 12.1° | 5.7° |
| CH2 | CZ2 | O7 | HO7 | 180.0° | 90.0° |
| CZ3 | CH2 | CZ2 | CE2 | 1.4° | 0.1° |
| CH2 | CZ3 | CE3 | HZ3 | 180.0° | 179.9° |
| CH2 | CZ3 | CE3 | CD2 | 0.6° | 0.0° |
| CH2 | CZ3 | CE3 | H5 | 179.4° | 179.9° |
| CZ3 | CH2 | N1 | HN1 | 169.9° | 174.3° |
| CZ2 | CE2 | CD2 | NE1 | 178.2° | 179.9° |
| CZ2 | CE2 | CD2 | CE3 | 4.3° | 0.0° |
| CZ2 | CE2 | CD2 | CG | 179.5° | 180.0° |
| CZ2 | CE2 | NE1 | CD1 | 179.3° | 179.9° |
| CZ2 | CE2 | NE1 | HNE1 | 0.8° | 0.0° |
| CE2 | CZ2 | O7 | HO7 | 2.2° | 89.9° |
| CZ3 | CE3 | CD2 | CE2 | 2.9° | 0.0° |
| CZ3 | CE3 | CD2 | H5 | 180.0° | 179.9° |
| CZ3 | CE3 | CD2 | CG | 176.9° | 180.0° |
| CE2 | CD2 | CE3 | CG | 174.0° | 180.0° |
| CD2 | CE2 | NE1 | CD1 | 1.9° | 0.0° |
| CE2 | CD2 | CG | CD1 | 2.1° | 0.2° |
| CE2 | CD2 | CG | CB | 179.0° | 180.0° |
| CD2 | CE2 | NE1 | HNE1 | 178.2° | 179.9° |
| CE2 | CD2 | CE3 | H5 | 177.1° | 179.9° |
| NE1 | CE2 | CD2 | CE3 | 177.6° | 179.9° |
| NE1 | CE2 | CD2 | CG | 2.4° | 0.1° |
| CE2 | NE1 | CD1 | HNE1 | 180.0° | 180.0° |
| CE2 | NE1 | CD1 | CG | 0.5° | 0.1° |
| CE2 | NE1 | CD1 | HD1 | 179.5° | 179.8° |
| CE3 | CD2 | CG | CD1 | 177.2° | 179.8° |
| CE3 | CD2 | CG | CB | 6.0° | 0.0° |
| CD2 | CE3 | CZ3 | HZ3 | 179.3° | 180.0° |
| CD2 | CG | CD1 | NE1 | 1.1° | 0.2° |
| CD2 | CG | CD1 | CB | 176.6° | 179.8° |
| CD2 | CG | CB | CA | 129.4° | 84.8° |
| CD2 | CG | CB | HB2 | 110.0° | 35.2° |
| CD2 | CG | CB | HB3 | 8.7° | 155.3° |
| CD2 | CG | CD1 | HD1 | 178.9° | 179.8° |
| CG | CD2 | CE3 | H5 | 3.1° | 0.1° |
| NE1 | CD1 | CG | HD1 | 180.0° | 179.9° |
| NE1 | CD1 | CG | CB | 177.7° | 180.0° |
| CD1 | CG | CB | CA | 54.5° | 95.0° |
| CD1 | CG | CB | HB2 | 66.1° | 145.0° |
| CD1 | CG | CB | HB3 | 175.2° | 24.9° |
| CG | CD1 | NE1 | HNE1 | 179.5° | 180.0° |
| CG | CB | CA | HB2 | 120.6° | 120.0° |
| CG | CB | CA | HB3 | 120.6° | 119.9° |
| CG | CB | CA | N | 65.3° | 65.0° |
| CG | CB | CA | C | 169.9° | 175.0° |
| CG | CB | CA | HA | 49.3° | 55.0° |
| CG | CB | HB2 | HB3 | 118.1° | 120.0° |
| CB | CG | CD1 | HD1 | 2.3° | 0.1° |
| CB | CA | N | C | 121.0° | 119.9° |
| CB | CA | N | HA | 114.8° | 120.0° |
| CB | CA | C | HA | 120.8° | 120.0° |
| CB | CA | C | O | 17.2° | 100.1° |
| CB | CA | N | H1 | 180.0° | 60.0° |
| CB | CA | N | H2 | 60.0° | 63.9° |
| CA | CB | HB2 | HB3 | 118.1° | 120.0° |
| CB | CA | C | OXT | 162.4° | 80.0° |
| N | CA | C | HA | 124.4° | 120.0° |
| N | CA | C | O | 132.1° | 19.9° |
| CA | N | H1 | H2 | 120.0° | 124.0° |
| N | CA | CB | HB2 | 174.1° | 54.9° |
| N | CA | CB | HB3 | 55.3° | 175.0° |
| N | CA | C | OXT | 47.5° | 160.0° |
| CA | C | O | OXT | 179.5° | 179.9° |
| C | CA | N | H1 | 59.0° | 59.9° |
| C | CA | N | H2 | 61.0° | 176.1° |
| C | CA | CB | HB2 | 49.3° | 65.1° |
| C | CA | CB | HB3 | 69.5° | 55.0° |
| CA | C | OXT | HXT | 179.5° | 179.9° |
| O | C | CA | HA | 103.6° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| H1 | N | CA | HA | 65.2° | 180.0° |
| H2 | N | CA | HA | 174.7° | 56.1° |
| HA | CA | CB | HB2 | 71.3° | 175.0° |
| HA | CA | CB | HB3 | 170.0° | 64.9° |
| HA | CA | C | OXT | 76.8° | 40.0° |
| HD1 | CD1 | NE1 | HNE1 | 0.5° | 0.1° |
| H5 | CE3 | CZ3 | HZ3 | 0.6° | 0.1° |
| H21 | C2 | N1 | HN1 | 124.5° | 153.6° |
| H21 | C2 | O1 | HO1 | 68.1° | 180.0° |
