TYF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.33Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| C | OXT | sing | 1.34Å | 1.26Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| O4 | CA | sing | 1.43Å | 1.46Å | |
| CA | C3 | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| O3 | C7 | sing | 1.36Å | 1.36Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C9 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| O4 | H | sing | 0.97Å | 0.95Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | C6 | sing | 1.39Å | 1.37Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.39Å | 1.37Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 115.1° | 120.0° |
| O | C | OXT | 123.5° | 120.0° |
| CA | C | OXT | 121.4° | 120.0° |
| C | CA | O4 | 112.6° | 109.4° |
| C | CA | C3 | 107.2° | 109.4° |
| C | CA | HA | 108.7° | 109.5° |
| C | OXT | HXT | 109.5° | 116.9° |
| O4 | CA | C3 | 109.7° | 109.5° |
| O4 | CA | HA | 109.7° | 109.5° |
| CA | O4 | H | 109.5° | 114.0° |
| C3 | CA | HA | 108.8° | 109.5° |
| CA | C3 | C4 | 115.5° | 109.5° |
| CA | C3 | H3 | 107.9° | 109.5° |
| CA | C3 | H3A | 107.9° | 109.5° |
| C4 | C3 | H3 | 107.9° | 109.5° |
| C4 | C3 | H3A | 108.0° | 109.4° |
| C3 | C4 | C9 | 120.5° | 120.0° |
| C3 | C4 | C5 | 121.3° | 119.9° |
| H3 | C3 | H3A | 109.5° | 109.5° |
| C7 | O3 | HO3 | 109.5° | 114.0° |
| O3 | C7 | C6 | 120.7° | 120.1° |
| O3 | C7 | C8 | 118.7° | 120.1° |
| C9 | C4 | C5 | 118.2° | 120.1° |
| C4 | C9 | C8 | 121.2° | 120.1° |
| C4 | C9 | H9 | 119.4° | 120.0° |
| C4 | C5 | C6 | 120.9° | 120.1° |
| C4 | C5 | H5 | 119.6° | 120.0° |
| C6 | C5 | H5 | 119.6° | 119.9° |
| C5 | C6 | C7 | 119.2° | 119.9° |
| C5 | C6 | H6 | 120.4° | 120.1° |
| C7 | C6 | H6 | 120.4° | 120.0° |
| C6 | C7 | C8 | 120.6° | 119.8° |
| C7 | C8 | C9 | 119.9° | 120.0° |
| C7 | C8 | H8 | 120.0° | 120.0° |
| C9 | C8 | H8 | 120.0° | 120.1° |
| C8 | C9 | H9 | 119.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 178.0° | 179.7° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| O | C | CA | O4 | 42.2° | 5.0° |
| O | C | CA | C3 | 78.6° | 115.0° |
| O | C | CA | HA | 163.9° | 124.9° |
| CA | C | OXT | HXT | 177.8° | 179.8° |
| C | CA | O4 | C3 | 119.4° | 119.9° |
| C | CA | O4 | HA | 121.2° | 120.0° |
| C | CA | C3 | HA | 117.4° | 120.0° |
| C | CA | C3 | C4 | 170.8° | 175.0° |
| C | CA | C3 | H3 | 68.3° | 65.0° |
| C | CA | C3 | H3A | 49.9° | 55.0° |
| C | CA | O4 | H | 19.5° | 60.0° |
| OXT | C | CA | O4 | 139.9° | 174.7° |
| OXT | C | CA | C3 | 99.4° | 65.3° |
| OXT | C | CA | HA | 18.1° | 54.8° |
| O4 | CA | C3 | HA | 120.0° | 120.0° |
| O4 | CA | C3 | C4 | 66.7° | 65.1° |
| O4 | CA | C3 | H3 | 54.2° | 55.0° |
| O4 | CA | C3 | H3A | 172.4° | 175.0° |
| CA | C3 | C4 | H3 | 120.9° | 120.0° |
| CA | C3 | C4 | H3A | 120.9° | 120.0° |
| CA | C3 | H3 | H3A | 117.2° | 120.0° |
| CA | C3 | C4 | C9 | 122.5° | 90.2° |
| CA | C3 | C4 | C5 | 60.4° | 90.0° |
| C3 | CA | O4 | H | 99.8° | 59.9° |
| HA | CA | C3 | C4 | 53.3° | 55.0° |
| HA | CA | C3 | H3 | 174.2° | 175.0° |
| HA | CA | C3 | H3A | 67.6° | 65.0° |
| HA | CA | O4 | H | 140.7° | 180.0° |
| C4 | C3 | H3 | H3A | 117.3° | 120.0° |
| C3 | C4 | C9 | C5 | 177.1° | 179.8° |
| C3 | C4 | C5 | C6 | 177.8° | 180.0° |
| C3 | C4 | C5 | H5 | 2.2° | 0.0° |
| C3 | C4 | C9 | C8 | 178.0° | 179.7° |
| C3 | C4 | C9 | H9 | 2.0° | 0.2° |
| H3 | C3 | C4 | C9 | 1.7° | 149.7° |
| H3 | C3 | C4 | C5 | 178.7° | 30.0° |
| H3A | C3 | C4 | C9 | 116.6° | 29.8° |
| H3A | C3 | C4 | C5 | 60.5° | 150.0° |
| O3 | C7 | C6 | C5 | 179.7° | 180.0° |
| O3 | C7 | C6 | C8 | 179.8° | 179.9° |
| O3 | C7 | C6 | H6 | 0.3° | 0.0° |
| O3 | C7 | C8 | C9 | 179.9° | 179.8° |
| O3 | C7 | C8 | H8 | 0.1° | 0.0° |
| HO3 | O3 | C7 | C6 | 180.0° | 90.0° |
| HO3 | O3 | C7 | C8 | 0.1° | 90.0° |
| C9 | C4 | C5 | C6 | 0.7° | 0.3° |
| C9 | C4 | C5 | H5 | 179.3° | 179.8° |
| C4 | C9 | C8 | C7 | 0.5° | 0.5° |
| C4 | C9 | C8 | H9 | 180.0° | 179.5° |
| C4 | C9 | C8 | H8 | 179.5° | 179.7° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.2° | 0.0° |
| C4 | C5 | C6 | H6 | 179.8° | 180.0° |
| C5 | C4 | C9 | C8 | 0.9° | 0.5° |
| C5 | C4 | C9 | H9 | 179.1° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.1° | 0.0° |
| H5 | C5 | C6 | C7 | 179.8° | 180.0° |
| H5 | C5 | C6 | H6 | 0.2° | 0.0° |
| C6 | C7 | C8 | C9 | 0.0° | 0.3° |
| C6 | C7 | C8 | H8 | 180.0° | 180.0° |
| H6 | C6 | C7 | C8 | 179.9° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 179.8° |
| C7 | C8 | C9 | H9 | 179.5° | 180.0° |
| H8 | C8 | C9 | H9 | 0.5° | 0.2° |
