YOF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | CB | sing | 1.53Å | 1.57Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.35Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CB | CG | sing | 1.51Å | 1.53Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CB | HB3 | sing | 1.09Å | 1.11Å | |
| CG | CD1 | doub | 1.38Å | 1.40Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.40Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.38Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.10Å | |
| CD2 | CE2 | doub | 1.38Å | 1.41Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.10Å | |
| CE1 | CZ | doub | 1.39Å | 1.41Å | Aromatic |
| CE1 | F | sing | 1.35Å | 1.34Å | |
| CE2 | CZ | sing | 1.39Å | 1.40Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.10Å | |
| CZ | OH | sing | 1.36Å | 1.40Å | |
| OH | HH | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 112.4° | 106.7° |
| CA | N | H2 | 111.2° | 106.7° |
| N | CA | C | 112.4° | 109.4° |
| N | CA | CB | 113.9° | 109.4° |
| N | CA | HA | 103.7° | 109.5° |
| H | N | H2 | 111.2° | 106.7° |
| C | CA | CB | 107.8° | 109.5° |
| C | CA | HA | 110.3° | 109.5° |
| CA | C | O | 119.4° | 120.1° |
| CA | C | OXT | 113.8° | 120.0° |
| CB | CA | HA | 108.6° | 109.4° |
| CA | CB | CG | 110.0° | 109.5° |
| CA | CB | HB2 | 112.0° | 109.5° |
| CA | CB | HB3 | 112.1° | 109.4° |
| O | C | OXT | 126.8° | 120.0° |
| C | OXT | HXT | 113.8° | 120.0° |
| CG | CB | HB2 | 112.0° | 109.5° |
| CG | CB | HB3 | 112.0° | 109.5° |
| CB | CG | CD1 | 118.9° | 120.0° |
| CB | CG | CD2 | 124.1° | 119.9° |
| HB2 | CB | HB3 | 98.4° | 109.4° |
| CD1 | CG | CD2 | 117.0° | 120.1° |
| CG | CD1 | CE1 | 123.0° | 120.0° |
| CG | CD1 | HD1 | 119.0° | 119.9° |
| CG | CD2 | CE2 | 121.1° | 120.1° |
| CG | CD2 | HD2 | 119.2° | 119.9° |
| CE1 | CD1 | HD1 | 118.0° | 120.0° |
| CD1 | CE1 | CZ | 119.6° | 119.9° |
| CD1 | CE1 | F | 119.5° | 120.0° |
| CE2 | CD2 | HD2 | 119.8° | 120.0° |
| CD2 | CE2 | CZ | 120.7° | 120.0° |
| CD2 | CE2 | HE2 | 120.1° | 120.0° |
| CZ | CE1 | F | 120.9° | 120.0° |
| CE1 | CZ | CE2 | 118.6° | 119.9° |
| CE1 | CZ | OH | 121.7° | 120.1° |
| CZ | CE2 | HE2 | 119.3° | 120.0° |
| CE2 | CZ | OH | 119.7° | 120.0° |
| CZ | OH | HH | 121.7° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.3° | 113.7° |
| N | CA | C | CB | 126.4° | 120.0° |
| N | CA | C | HA | 115.2° | 120.0° |
| N | CA | CB | HA | 115.0° | 120.0° |
| N | CA | C | O | 6.2° | 29.9° |
| N | CA | C | OXT | 173.9° | 150.0° |
| N | CA | CB | CG | 159.7° | 60.1° |
| N | CA | CB | HB2 | 34.4° | 60.1° |
| N | CA | CB | HB3 | 75.1° | 180.0° |
| H | N | CA | C | 180.0° | 173.8° |
| H | N | CA | CB | 57.0° | 53.8° |
| H | N | CA | HA | 60.8° | 66.2° |
| H2 | N | CA | C | 54.7° | 60.0° |
| H2 | N | CA | CB | 68.3° | 60.0° |
| H2 | N | CA | HA | 173.9° | 179.9° |
| C | CA | CB | HA | 119.5° | 120.1° |
| CA | C | O | OXT | 179.9° | 179.9° |
| CA | C | OXT | HXT | 180.0° | 179.9° |
| C | CA | CB | CG | 74.8° | 180.0° |
| C | CA | CB | HB2 | 159.9° | 59.9° |
| C | CA | CB | HB3 | 50.4° | 60.0° |
| CB | CA | C | O | 120.2° | 90.0° |
| CB | CA | C | OXT | 59.7° | 90.0° |
| CA | CB | CG | HB2 | 125.2° | 120.1° |
| CA | CB | CG | HB3 | 125.3° | 120.0° |
| CA | CB | HB2 | HB3 | 118.0° | 119.9° |
| CA | CB | CG | CD1 | 24.5° | 90.2° |
| CA | CB | CG | CD2 | 154.2° | 90.0° |
| HA | CA | C | O | 121.3° | 149.9° |
| HA | CA | C | OXT | 58.7° | 30.0° |
| HA | CA | CB | CG | 44.7° | 59.9° |
| HA | CA | CB | HB2 | 80.5° | 180.0° |
| HA | CA | CB | HB3 | 170.0° | 60.1° |
| O | C | OXT | HXT | 0.1° | 0.0° |
| CG | CB | HB2 | HB3 | 117.9° | 120.0° |
| CB | CG | CD1 | CD2 | 178.7° | 179.8° |
| CB | CG | CD1 | CE1 | 179.2° | 179.8° |
| CB | CG | CD1 | HD1 | 0.9° | 0.3° |
| CB | CG | CD2 | CE2 | 179.6° | 180.0° |
| CB | CG | CD2 | HD2 | 0.4° | 0.0° |
| HB2 | CB | CG | CD1 | 100.7° | 149.7° |
| HB2 | CB | CG | CD2 | 80.6° | 30.1° |
| HB3 | CB | CG | CD1 | 149.8° | 29.7° |
| HB3 | CB | CG | CD2 | 28.9° | 150.0° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.5° |
| CD1 | CG | CD2 | CE2 | 1.0° | 0.2° |
| CD1 | CG | CD2 | HD2 | 179.1° | 179.8° |
| CG | CD1 | CE1 | CZ | 0.8° | 0.5° |
| CG | CD1 | CE1 | F | 178.5° | 179.8° |
| CD2 | CG | CD1 | CE1 | 0.4° | 0.4° |
| CD2 | CG | CD1 | HD1 | 179.6° | 179.9° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | CE2 | CZ | 0.3° | 0.0° |
| CG | CD2 | CE2 | HE2 | 179.6° | 180.0° |
| CD1 | CE1 | CZ | F | 177.7° | 179.8° |
| CD1 | CE1 | CZ | CE2 | 1.4° | 0.2° |
| CD1 | CE1 | CZ | OH | 178.5° | 179.8° |
| HD1 | CD1 | CE1 | CZ | 179.2° | 180.0° |
| HD1 | CD1 | CE1 | F | 1.4° | 0.3° |
| CD2 | CE2 | CZ | CE1 | 0.9° | 0.0° |
| CD2 | CE2 | CZ | HE2 | 179.9° | 180.0° |
| CD2 | CE2 | CZ | OH | 179.1° | 180.0° |
| HD2 | CD2 | CE2 | CZ | 179.7° | 180.0° |
| HD2 | CD2 | CE2 | HE2 | 0.3° | 0.0° |
| CE1 | CZ | CE2 | OH | 179.9° | 180.0° |
| CE1 | CZ | CE2 | HE2 | 179.2° | 180.0° |
| CE1 | CZ | OH | HH | 180.0° | 89.9° |
| F | CE1 | CZ | CE2 | 179.1° | 180.0° |
| F | CE1 | CZ | OH | 0.8° | 0.0° |
| CE2 | CZ | OH | HH | 0.0° | 90.1° |
| HE2 | CE2 | CZ | OH | 0.9° | 0.0° |
