FXF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.26Å | |
| N | CA | sing | 1.47Å | 1.46Å | |
| C | CA | sing | 1.51Å | 1.55Å | |
| C | OXT | sing | 1.34Å | 1.26Å | |
| CA | CB | sing | 1.53Å | 1.55Å | |
| CB | CG | sing | 1.51Å | 1.53Å | |
| CD1 | CG | doub | 1.38Å | 1.38Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.38Å | Aromatic |
| BR1 | CE1 | sing | 1.89Å | 1.94Å | |
| CG | CD2 | sing | 1.38Å | 1.38Å | Aromatic |
| CE1 | CZ | doub | 1.38Å | 1.38Å | Aromatic |
| CD2 | CE2 | doub | 1.38Å | 1.39Å | Aromatic |
| CZ | CE2 | sing | 1.38Å | 1.38Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 118.5° | 120.0° |
| O | C | OXT | 118.3° | 120.0° |
| N | CA | C | 109.7° | 109.5° |
| N | CA | CB | 113.0° | 109.4° |
| N | CA | HA | 105.6° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 110.9° |
| CA | C | OXT | 123.2° | 120.0° |
| C | CA | CB | 117.8° | 109.5° |
| C | CA | HA | 104.7° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| CA | CB | CG | 123.2° | 109.5° |
| CB | CA | HA | 104.7° | 109.5° |
| CA | CB | HB2 | 105.9° | 109.4° |
| CA | CB | HB3 | 105.9° | 109.4° |
| CB | CG | CD1 | 121.3° | 120.0° |
| CB | CG | CD2 | 120.1° | 120.0° |
| CG | CB | HB2 | 105.9° | 109.5° |
| CG | CB | HB3 | 106.0° | 109.5° |
| CG | CD1 | CE1 | 121.0° | 120.0° |
| CD1 | CG | CD2 | 118.6° | 120.0° |
| CG | CD1 | HD1 | 119.5° | 120.0° |
| CD1 | CE1 | BR1 | 118.6° | 120.0° |
| CD1 | CE1 | CZ | 120.4° | 120.0° |
| CE1 | CD1 | HD1 | 119.5° | 120.0° |
| BR1 | CE1 | CZ | 121.0° | 120.0° |
| CG | CD2 | CE2 | 120.5° | 120.0° |
| CG | CD2 | HD2 | 119.7° | 120.0° |
| CE1 | CZ | CE2 | 119.0° | 120.0° |
| CE1 | CZ | HZ | 120.5° | 119.9° |
| CD2 | CE2 | CZ | 120.4° | 120.0° |
| CE2 | CD2 | HD2 | 119.7° | 120.0° |
| CD2 | CE2 | HE2 | 119.8° | 120.0° |
| CZ | CE2 | HE2 | 119.8° | 120.0° |
| CE2 | CZ | HZ | 120.5° | 120.1° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | N | 43.9° | 20.0° |
| O | C | CA | OXT | 179.2° | 179.9° |
| O | C | CA | CB | 175.1° | 100.0° |
| O | C | CA | HA | 69.1° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| N | CA | C | CB | 131.2° | 120.0° |
| N | CA | C | HA | 113.0° | 120.0° |
| N | CA | C | OXT | 137.0° | 160.0° |
| N | CA | CB | HA | 114.5° | 120.0° |
| N | CA | CB | CG | 69.6° | 65.0° |
| N | CA | CB | HB2 | 52.3° | 175.0° |
| N | CA | CB | HB3 | 168.5° | 55.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| C | CA | CB | HA | 115.8° | 120.0° |
| C | CA | CB | CG | 60.1° | 175.0° |
| C | CA | CB | HB2 | 178.1° | 55.0° |
| C | CA | CB | HB3 | 61.8° | 65.0° |
| C | CA | N | H | 180.0° | 60.0° |
| C | CA | N | H2 | 60.0° | 64.0° |
| CA | C | OXT | HXT | 179.2° | 180.0° |
| OXT | C | CA | CB | 5.8° | 80.0° |
| OXT | C | CA | HA | 110.0° | 40.0° |
| CA | CB | CG | HB2 | 121.9° | 120.0° |
| CA | CB | CG | HB3 | 121.9° | 120.0° |
| CA | CB | CG | CD1 | 55.5° | 90.0° |
| CA | CB | CG | CD2 | 126.8° | 90.0° |
| CA | CB | HB2 | HB3 | 113.8° | 120.0° |
| CB | CA | N | H | 46.3° | 60.0° |
| CB | CA | N | H2 | 73.7° | 176.0° |
| CB | CG | CD1 | CD2 | 177.7° | 180.0° |
| CB | CG | CD1 | CE1 | 179.2° | 180.0° |
| CB | CG | CD2 | CE2 | 179.1° | 179.9° |
| CB | CG | CD1 | HD1 | 0.7° | 0.3° |
| CG | CB | CA | HA | 175.9° | 55.0° |
| CG | CB | HB2 | HB3 | 113.9° | 120.0° |
| CB | CG | CD2 | HD2 | 0.9° | 0.0° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.7° |
| CG | CD1 | CE1 | BR1 | 179.1° | 180.0° |
| CG | CD1 | CE1 | CZ | 0.8° | 0.0° |
| CD1 | CG | CD2 | CE2 | 1.4° | 0.1° |
| CD1 | CG | CB | HB2 | 177.4° | 30.0° |
| CD1 | CG | CB | HB3 | 66.3° | 150.0° |
| CD1 | CG | CD2 | HD2 | 178.6° | 180.0° |
| CD1 | CE1 | BR1 | CZ | 179.9° | 180.0° |
| CE1 | CD1 | CG | CD2 | 1.6° | 0.0° |
| CD1 | CE1 | CZ | CE2 | 0.1° | 0.0° |
| CD1 | CE1 | CZ | HZ | 179.9° | 180.0° |
| BR1 | CE1 | CZ | CE2 | 180.0° | 180.0° |
| BR1 | CE1 | CD1 | HD1 | 0.9° | 0.3° |
| BR1 | CE1 | CZ | HZ | 0.0° | 0.0° |
| CG | CD2 | CE2 | HD2 | 180.0° | 179.9° |
| CG | CD2 | CE2 | CZ | 0.5° | 0.0° |
| CD2 | CG | CD1 | HD1 | 178.4° | 179.7° |
| CD2 | CG | CB | HB2 | 5.0° | 150.0° |
| CD2 | CG | CB | HB3 | 111.3° | 30.0° |
| CG | CD2 | CE2 | HE2 | 179.5° | 179.9° |
| CE1 | CZ | CE2 | CD2 | 0.3° | 0.0° |
| CE1 | CZ | CE2 | HZ | 180.0° | 180.0° |
| CZ | CE1 | CD1 | HD1 | 179.1° | 179.7° |
| CE1 | CZ | CE2 | HE2 | 179.8° | 180.0° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | HZ | 179.7° | 180.0° |
| CZ | CE2 | CD2 | HD2 | 179.5° | 180.0° |
| HA | CA | CB | HB2 | 62.2° | 65.0° |
| HA | CA | CB | HB3 | 54.0° | 175.0° |
| HA | CA | N | H | 67.6° | 180.0° |
| HA | CA | N | H2 | 172.4° | 56.0° |
| HD2 | CD2 | CE2 | HE2 | 0.5° | 0.0° |
| HE2 | CE2 | CZ | HZ | 0.2° | 0.0° |
