BYR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OH | CZ | sing | 1.36Å | 1.38Å | |
| CE1 | CZ | doub | 1.39Å | 1.38Å | Aromatic |
| CE1 | CD1 | sing | 1.38Å | 1.41Å | Aromatic |
| CZ | CE2 | sing | 1.39Å | 1.41Å | Aromatic |
| CD1 | CG | doub | 1.38Å | 1.42Å | Aromatic |
| CE2 | CD2 | doub | 1.38Å | 1.40Å | Aromatic |
| CE2 | BR | sing | 1.89Å | 1.93Å | |
| CG | CD2 | sing | 1.38Å | 1.39Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.52Å | |
| CB | CA | sing | 1.53Å | 1.51Å | |
| N | CA | sing | 1.47Å | 1.44Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| N | H | 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 | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| OH | HH | sing | 0.97Å | 0.95Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OH | CZ | CE1 | 120.5° | 120.0° |
| OH | CZ | CE2 | 119.5° | 120.1° |
| CZ | OH | HH | 109.5° | 114.0° |
| CZ | CE1 | CD1 | 118.2° | 119.9° |
| CE1 | CZ | CE2 | 120.0° | 119.9° |
| CZ | CE1 | HE1 | 120.9° | 120.1° |
| CE1 | CD1 | CG | 121.9° | 120.1° |
| CD1 | CE1 | HE1 | 120.9° | 120.0° |
| CE1 | CD1 | HD1 | 119.1° | 120.0° |
| CZ | CE2 | CD2 | 122.2° | 119.9° |
| CZ | CE2 | BR | 119.4° | 120.0° |
| CD1 | CG | CD2 | 119.7° | 120.1° |
| CD1 | CG | CB | 121.9° | 120.0° |
| CG | CD1 | HD1 | 119.0° | 119.9° |
| CD2 | CE2 | BR | 118.4° | 120.1° |
| CE2 | CD2 | CG | 118.0° | 120.1° |
| CE2 | CD2 | HD2 | 121.0° | 119.9° |
| CD2 | CG | CB | 118.4° | 119.9° |
| CG | CD2 | HD2 | 121.0° | 120.0° |
| CG | CB | CA | 113.5° | 109.5° |
| CG | CB | HB2 | 108.5° | 109.5° |
| CG | CB | HB3 | 108.5° | 109.4° |
| CB | CA | N | 104.1° | 109.5° |
| CB | CA | C | 115.9° | 109.4° |
| CB | CA | HA | 106.0° | 109.5° |
| CA | CB | HB2 | 108.5° | 109.5° |
| CA | CB | HB3 | 108.4° | 109.4° |
| N | CA | C | 117.1° | 109.5° |
| CA | N | H | 109.5° | 111.1° |
| CA | N | H2 | 109.4° | 111.0° |
| N | CA | HA | 106.9° | 109.5° |
| CA | C | O | 120.3° | 119.9° |
| CA | C | OXT | 116.8° | 120.0° |
| C | CA | HA | 106.0° | 109.5° |
| O | C | OXT | 122.9° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H | N | H2 | 109.5° | 111.0° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OH | CZ | CE1 | CE2 | 179.8° | 180.0° |
| OH | CZ | CE1 | CD1 | 179.4° | 179.7° |
| OH | CZ | CE2 | CD2 | 179.5° | 180.0° |
| OH | CZ | CE2 | BR | 0.3° | 0.1° |
| OH | CZ | CE1 | HE1 | 0.6° | 0.0° |
| CZ | CE1 | CD1 | HE1 | 180.0° | 179.7° |
| CZ | CE1 | CD1 | CG | 0.5° | 0.6° |
| CE1 | CZ | CE2 | CD2 | 0.7° | 0.0° |
| CE1 | CZ | CE2 | BR | 179.5° | 180.0° |
| CE1 | CZ | OH | HH | 180.0° | 90.0° |
| CZ | CE1 | CD1 | HD1 | 179.5° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.8° | 0.3° |
| CE1 | CD1 | CG | HD1 | 180.0° | 179.4° |
| CE1 | CD1 | CG | CD2 | 0.1° | 0.6° |
| CE1 | CD1 | CG | CB | 178.4° | 179.7° |
| CZ | CE2 | CD2 | BR | 179.8° | 179.9° |
| CZ | CE2 | CD2 | CG | 0.3° | 0.0° |
| CZ | CE2 | CD2 | HD2 | 179.7° | 180.0° |
| CE2 | CZ | OH | HH | 0.2° | 90.0° |
| CE2 | CZ | CE1 | HE1 | 179.2° | 180.0° |
| CD1 | CG | CD2 | CE2 | 0.0° | 0.3° |
| CD1 | CG | CD2 | CB | 178.3° | 179.7° |
| CD1 | CG | CB | CA | 97.4° | 90.3° |
| CD1 | CG | CB | HB2 | 23.2° | 149.7° |
| CD1 | CG | CB | HB3 | 142.0° | 29.7° |
| CD1 | CG | CD2 | HD2 | 180.0° | 179.7° |
| CG | CD1 | CE1 | HE1 | 179.5° | 179.7° |
| CE2 | CD2 | CG | HD2 | 180.0° | 179.9° |
| CE2 | CD2 | CG | CB | 178.3° | 180.0° |
| BR | CE2 | CD2 | CG | 179.9° | 179.9° |
| BR | CE2 | CD2 | HD2 | 0.1° | 0.0° |
| CD2 | CG | CB | CA | 84.3° | 90.0° |
| CD2 | CG | CB | HB2 | 155.1° | 30.0° |
| CD2 | CG | CB | HB3 | 36.3° | 150.1° |
| CD2 | CG | CD1 | HD1 | 179.9° | 180.0° |
| CG | CB | CA | HB2 | 120.6° | 120.0° |
| CG | CB | CA | HB3 | 120.6° | 119.9° |
| CG | CB | CA | N | 62.7° | 65.0° |
| CG | CB | CA | C | 67.4° | 175.0° |
| CG | CB | CA | HA | 175.3° | 55.0° |
| CG | CB | HB2 | HB3 | 118.2° | 120.0° |
| CB | CG | CD2 | HD2 | 1.6° | 0.1° |
| CB | CG | CD1 | HD1 | 1.6° | 0.3° |
| CB | CA | N | C | 129.5° | 120.0° |
| CB | CA | N | HA | 111.9° | 120.0° |
| CB | CA | C | HA | 117.3° | 120.0° |
| CB | CA | C | O | 107.1° | 100.1° |
| CB | CA | C | OXT | 71.2° | 80.0° |
| CB | CA | N | H | 180.0° | 176.0° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| CA | CB | HB2 | HB3 | 118.2° | 120.0° |
| N | CA | C | HA | 119.1° | 120.0° |
| N | CA | C | O | 16.5° | 20.0° |
| N | CA | C | OXT | 165.2° | 160.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | HB2 | 57.9° | 55.0° |
| N | CA | CB | HB3 | 176.7° | 175.0° |
| CA | C | O | OXT | 178.2° | 179.9° |
| C | CA | N | H | 50.6° | 64.0° |
| C | CA | N | H2 | 69.5° | 60.0° |
| C | CA | CB | HB2 | 172.0° | 65.0° |
| C | CA | CB | HB3 | 53.2° | 55.0° |
| CA | C | OXT | HXT | 178.3° | 180.0° |
| O | C | CA | HA | 135.6° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | HA | 46.1° | 40.0° |
| H | N | CA | HA | 68.0° | 56.0° |
| H2 | N | CA | HA | 171.9° | 180.0° |
| HA | CA | CB | HB2 | 54.7° | 175.0° |
| HA | CA | CB | HB3 | 64.1° | 65.0° |
| HE1 | CE1 | CD1 | HD1 | 0.5° | 0.3° |
