4BF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CD1 | CE1 | doub | 1.38Å | 1.36Å | Aromatic |
| CD1 | CG | sing | 1.38Å | 1.38Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CE1 | CZ | sing | 1.38Å | 1.38Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CZ | BR | sing | 1.89Å | 1.83Å | |
| CZ | CE2 | doub | 1.38Å | 1.37Å | Aromatic |
| CE2 | CD2 | sing | 1.38Å | 1.39Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CD2 | CG | doub | 1.38Å | 1.38Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CG | CB | sing | 1.51Å | 1.51Å | |
| CB | CA | sing | 1.53Å | 1.50Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CA | N | sing | 1.47Å | 1.48Å | |
| CA | C | sing | 1.51Å | 1.50Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C | OXT | sing | 1.34Å | 1.42Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CE1 | CD1 | CG | 120.6° | 120.0° |
| CE1 | CD1 | HD1 | 119.7° | 120.0° |
| CD1 | CE1 | CZ | 117.1° | 120.0° |
| CD1 | CE1 | HE1 | 121.4° | 119.9° |
| CG | CD1 | HD1 | 119.7° | 120.0° |
| CD1 | CG | CD2 | 121.2° | 120.0° |
| CD1 | CG | CB | 119.1° | 120.0° |
| CZ | CE1 | HE1 | 121.4° | 120.1° |
| CE1 | CZ | BR | 117.3° | 120.0° |
| CE1 | CZ | CE2 | 124.2° | 120.0° |
| BR | CZ | CE2 | 118.5° | 120.0° |
| CZ | CE2 | CD2 | 117.5° | 120.0° |
| CZ | CE2 | HE2 | 121.3° | 120.0° |
| CD2 | CE2 | HE2 | 121.2° | 120.0° |
| CE2 | CD2 | CG | 119.3° | 120.0° |
| CE2 | CD2 | HD2 | 120.3° | 120.0° |
| CG | CD2 | HD2 | 120.3° | 120.0° |
| CD2 | CG | CB | 119.7° | 120.0° |
| CG | CB | CA | 115.3° | 109.4° |
| CG | CB | HB3 | 106.3° | 109.5° |
| CG | CB | HB2 | 107.6° | 109.4° |
| CA | CB | HB3 | 106.2° | 109.5° |
| CA | CB | HB2 | 107.6° | 109.4° |
| CB | CA | N | 110.1° | 109.5° |
| CB | CA | C | 107.1° | 109.5° |
| CB | CA | HA | 109.9° | 109.5° |
| HB3 | CB | HB2 | 114.1° | 109.5° |
| N | CA | C | 107.1° | 109.4° |
| N | CA | HA | 109.8° | 109.5° |
| CA | N | H | 109.5° | 106.7° |
| CA | N | H2 | 109.5° | 106.7° |
| C | CA | HA | 112.7° | 109.5° |
| CA | C | OXT | 109.5° | 120.0° |
| CA | C | O | 120.7° | 120.0° |
| H | N | H2 | 109.4° | 106.7° |
| OXT | C | O | 112.5° | 120.0° |
| C | OXT | HXT | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CE1 | CD1 | CG | HD1 | 180.0° | 179.6° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 179.8° |
| CD1 | CE1 | CZ | BR | 178.3° | 179.7° |
| CD1 | CE1 | CZ | CE2 | 1.0° | 0.2° |
| CE1 | CD1 | CG | CD2 | 1.1° | 0.5° |
| CE1 | CD1 | CG | CB | 179.0° | 179.8° |
| CG | CD1 | CE1 | CZ | 0.5° | 0.5° |
| CG | CD1 | CE1 | HE1 | 179.5° | 179.7° |
| CD1 | CG | CD2 | CE2 | 0.2° | 0.3° |
| CD1 | CG | CD2 | CB | 179.9° | 179.7° |
| CD1 | CG | CD2 | HD2 | 179.8° | 179.8° |
| CD1 | CG | CB | CA | 45.3° | 90.2° |
| CD1 | CG | CB | HB3 | 162.7° | 149.7° |
| CD1 | CG | CB | HB2 | 74.7° | 29.7° |
| HD1 | CD1 | CE1 | CZ | 179.5° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 0.5° | 0.2° |
| HD1 | CD1 | CG | CD2 | 179.0° | 179.9° |
| HD1 | CD1 | CG | CB | 0.9° | 0.2° |
| CE1 | CZ | BR | CE2 | 177.5° | 179.9° |
| CE1 | CZ | CE2 | CD2 | 1.8° | 0.1° |
| CE1 | CZ | CE2 | HE2 | 178.2° | 180.0° |
| HE1 | CE1 | CZ | BR | 1.7° | 0.1° |
| HE1 | CE1 | CZ | CE2 | 179.0° | 180.0° |
| BR | CZ | CE2 | CD2 | 179.1° | 180.0° |
| BR | CZ | CE2 | HE2 | 0.9° | 0.1° |
| CZ | CE2 | CD2 | HE2 | 180.0° | 179.9° |
| CZ | CE2 | CD2 | CG | 1.2° | 0.0° |
| CZ | CE2 | CD2 | HD2 | 178.8° | 179.9° |
| CE2 | CD2 | CG | HD2 | 180.0° | 180.0° |
| CE2 | CD2 | CG | CB | 179.9° | 180.0° |
| HE2 | CE2 | CD2 | CG | 178.8° | 179.9° |
| HE2 | CE2 | CD2 | HD2 | 1.2° | 0.0° |
| CD2 | CG | CB | CA | 134.6° | 90.1° |
| CD2 | CG | CB | HB3 | 17.2° | 30.0° |
| CD2 | CG | CB | HB2 | 105.4° | 150.0° |
| HD2 | CD2 | CG | CB | 0.1° | 0.1° |
| CG | CB | CA | HB3 | 117.4° | 120.1° |
| CG | CB | CA | HB2 | 120.0° | 119.9° |
| CG | CB | HB3 | HB2 | 118.4° | 120.0° |
| CG | CB | CA | N | 59.4° | 65.1° |
| CG | CB | CA | C | 175.6° | 175.0° |
| CG | CB | CA | HA | 61.8° | 55.0° |
| CA | CB | HB3 | HB2 | 118.4° | 120.0° |
| CB | CA | N | C | 116.2° | 120.0° |
| CB | CA | N | HA | 121.1° | 120.1° |
| CB | CA | C | HA | 120.9° | 120.1° |
| CB | CA | N | H | 177.0° | 173.8° |
| CB | CA | N | H2 | 63.0° | 59.9° |
| CB | CA | C | OXT | 59.8° | 80.0° |
| CB | CA | C | O | 167.2° | 100.0° |
| HB3 | CB | CA | N | 58.0° | 55.0° |
| HB3 | CB | CA | C | 58.2° | 64.9° |
| HB3 | CB | CA | HA | 179.1° | 175.0° |
| HB2 | CB | CA | N | 179.4° | 175.0° |
| HB2 | CB | CA | C | 64.4° | 55.1° |
| HB2 | CB | CA | HA | 58.2° | 65.0° |
| N | CA | C | HA | 120.9° | 120.0° |
| CA | N | H | H2 | 120.0° | 113.9° |
| N | CA | C | OXT | 178.0° | 160.0° |
| N | CA | C | O | 49.0° | 20.0° |
| C | CA | N | H | 60.8° | 53.8° |
| C | CA | N | H2 | 179.2° | 60.1° |
| CA | C | OXT | O | 137.1° | 180.0° |
| CA | C | OXT | HXT | 137.1° | 180.0° |
| HA | CA | N | H | 61.9° | 66.2° |
| HA | CA | N | H2 | 58.1° | 180.0° |
| HA | CA | C | OXT | 61.1° | 40.0° |
| HA | CA | C | O | 71.9° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
