BTR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.50Å | |
| N | H | sing | 1.01Å | 1.03Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | C | sing | 1.51Å | 1.57Å | |
| CA | CB | sing | 1.53Å | 1.56Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| C | OXT | sing | 1.34Å | 1.35Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CB | CG | sing | 1.51Å | 1.54Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CB | HB3 | sing | 1.09Å | 1.11Å | |
| CG | CD1 | doub | 1.34Å | 1.41Å | Aromatic |
| CG | CD2 | sing | 1.46Å | 1.39Å | Aromatic |
| CD1 | NE1 | sing | 1.37Å | 1.41Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| NE1 | CE2 | sing | 1.38Å | 1.38Å | Aromatic |
| NE1 | HE1 | sing | 0.97Å | 1.03Å | |
| CE2 | CD2 | doub | 1.41Å | 1.42Å | Aromatic |
| CE2 | CZ2 | sing | 1.39Å | 1.41Å | Aromatic |
| CD2 | CE3 | sing | 1.40Å | 1.42Å | Aromatic |
| CE3 | CZ3 | doub | 1.37Å | 1.40Å | Aromatic |
| CE3 | HE3 | sing | 1.08Å | 1.08Å | |
| CZ3 | CH2 | sing | 1.39Å | 1.40Å | Aromatic |
| CZ3 | HZ3 | sing | 1.08Å | 1.08Å | |
| CH2 | BR2 | sing | 1.89Å | 1.94Å | |
| CH2 | CZ2 | doub | 1.38Å | 1.40Å | Aromatic |
| CZ2 | HZ2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 120.8° | 106.7° |
| CA | N | H2 | 111.2° | 106.7° |
| N | CA | C | 112.1° | 109.5° |
| N | CA | CB | 111.3° | 109.5° |
| N | CA | HA | 109.2° | 109.4° |
| H | N | H2 | 16.3° | 106.7° |
| C | CA | CB | 108.8° | 109.5° |
| C | CA | HA | 106.9° | 109.5° |
| CA | C | O | 121.2° | 120.0° |
| CA | C | OXT | 117.7° | 120.0° |
| CB | CA | HA | 108.4° | 109.4° |
| CA | CB | CG | 115.9° | 109.5° |
| CA | CB | HB2 | 109.7° | 109.4° |
| CA | CB | HB3 | 109.7° | 109.5° |
| O | C | OXT | 121.1° | 120.0° |
| C | OXT | HXT | 117.7° | 120.0° |
| CG | CB | HB2 | 109.6° | 109.5° |
| CG | CB | HB3 | 106.8° | 109.4° |
| CB | CG | CD1 | 125.9° | 126.5° |
| CB | CG | CD2 | 128.5° | 126.5° |
| HB2 | CB | HB3 | 104.4° | 109.4° |
| CD1 | CG | CD2 | 105.6° | 107.0° |
| CG | CD1 | NE1 | 111.7° | 110.0° |
| CG | CD1 | HD1 | 124.5° | 125.0° |
| CG | CD2 | CE2 | 108.0° | 106.0° |
| CG | CD2 | CE3 | 131.6° | 134.0° |
| NE1 | CD1 | HD1 | 123.7° | 125.0° |
| CD1 | NE1 | CE2 | 104.2° | 109.8° |
| CD1 | NE1 | HE1 | 127.9° | 125.1° |
| CE2 | NE1 | HE1 | 127.9° | 125.1° |
| NE1 | CE2 | CD2 | 110.6° | 107.2° |
| NE1 | CE2 | CZ2 | 129.2° | 133.5° |
| CD2 | CE2 | CZ2 | 120.2° | 119.3° |
| CE2 | CD2 | CE3 | 120.4° | 120.0° |
| CE2 | CZ2 | CH2 | 118.6° | 119.8° |
| CE2 | CZ2 | HZ2 | 120.8° | 120.1° |
| CD2 | CE3 | CZ3 | 118.4° | 119.7° |
| CD2 | CE3 | HE3 | 121.1° | 120.2° |
| CZ3 | CE3 | HE3 | 120.5° | 120.1° |
| CE3 | CZ3 | CH2 | 121.3° | 120.5° |
| CE3 | CZ3 | HZ3 | 119.1° | 119.8° |
| CH2 | CZ3 | HZ3 | 119.6° | 119.7° |
| CZ3 | CH2 | BR2 | 119.5° | 119.7° |
| CZ3 | CH2 | CZ2 | 121.0° | 120.6° |
| BR2 | CH2 | CZ2 | 119.5° | 119.7° |
| CH2 | CZ2 | HZ2 | 120.6° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 57.3° | 113.7° |
| N | CA | C | CB | 123.5° | 120.1° |
| N | CA | C | HA | 119.6° | 120.0° |
| N | CA | CB | HA | 120.1° | 119.9° |
| N | CA | C | O | 139.7° | 30.1° |
| N | CA | C | OXT | 42.7° | 150.0° |
| N | CA | CB | CG | 31.5° | 60.0° |
| N | CA | CB | HB2 | 156.3° | 60.1° |
| N | CA | CB | HB3 | 89.5° | 180.0° |
| H | N | CA | C | 69.4° | 60.1° |
| H | N | CA | CB | 52.7° | 60.0° |
| H | N | CA | HA | 172.3° | 179.9° |
| H2 | N | CA | C | 54.7° | 173.8° |
| H2 | N | CA | CB | 67.4° | 53.7° |
| H2 | N | CA | HA | 173.0° | 66.2° |
| C | CA | CB | HA | 115.9° | 120.0° |
| CA | C | O | OXT | 177.5° | 180.0° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| C | CA | CB | CG | 92.5° | 180.0° |
| C | CA | CB | HB2 | 32.3° | 59.9° |
| C | CA | CB | HB3 | 146.5° | 60.0° |
| CB | CA | C | O | 16.2° | 90.0° |
| CB | CA | C | OXT | 166.2° | 90.0° |
| CA | CB | CG | HB2 | 124.9° | 120.0° |
| CA | CB | CG | HB3 | 122.5° | 120.1° |
| CA | CB | HB2 | HB3 | 117.5° | 120.0° |
| CA | CB | CG | CD1 | 93.3° | 90.0° |
| CA | CB | CG | CD2 | 89.2° | 90.3° |
| HA | CA | C | O | 100.7° | 150.0° |
| HA | CA | C | OXT | 76.9° | 30.0° |
| HA | CA | CB | CG | 151.5° | 60.0° |
| HA | CA | CB | HB2 | 83.6° | 180.0° |
| HA | CA | CB | HB3 | 30.6° | 60.1° |
| O | C | OXT | HXT | 2.4° | 0.0° |
| CG | CB | HB2 | HB3 | 114.1° | 119.9° |
| CB | CG | CD1 | CD2 | 178.0° | 179.8° |
| CB | CG | CD1 | NE1 | 177.8° | 180.0° |
| CB | CG | CD1 | HD1 | 3.1° | 0.0° |
| CB | CG | CD2 | CE2 | 177.9° | 179.8° |
| CB | CG | CD2 | CE3 | 0.3° | 0.8° |
| HB2 | CB | CG | CD1 | 141.8° | 30.0° |
| HB2 | CB | CG | CD2 | 35.7° | 149.7° |
| HB3 | CB | CG | CD1 | 29.3° | 149.9° |
| HB3 | CB | CG | CD2 | 148.2° | 29.8° |
| CG | CD1 | NE1 | HD1 | 179.1° | 179.9° |
| CG | CD1 | NE1 | CE2 | 0.3° | 0.0° |
| CG | CD1 | NE1 | HE1 | 179.2° | 180.0° |
| CD1 | CG | CD2 | CE2 | 0.0° | 0.4° |
| CD1 | CG | CD2 | CE3 | 178.2° | 179.5° |
| CD2 | CG | CD1 | NE1 | 0.1° | 0.3° |
| CD2 | CG | CD1 | HD1 | 178.9° | 179.8° |
| CG | CD2 | CE2 | NE1 | 0.2° | 0.4° |
| CG | CD2 | CE2 | CE3 | 178.4° | 179.2° |
| CG | CD2 | CE2 | CZ2 | 179.5° | 179.9° |
| CG | CD2 | CE3 | CZ3 | 179.5° | 179.6° |
| CG | CD2 | CE3 | HE3 | 0.2° | 0.7° |
| CD1 | NE1 | CE2 | HE1 | 179.5° | 180.0° |
| CD1 | NE1 | CE2 | CD2 | 0.3° | 0.3° |
| CD1 | NE1 | CE2 | CZ2 | 179.4° | 179.9° |
| HD1 | CD1 | NE1 | CE2 | 178.8° | 179.9° |
| HD1 | CD1 | NE1 | HE1 | 1.7° | 0.1° |
| NE1 | CE2 | CD2 | CZ2 | 179.7° | 179.7° |
| NE1 | CE2 | CD2 | CE3 | 178.2° | 179.6° |
| NE1 | CE2 | CZ2 | CH2 | 179.0° | 180.0° |
| NE1 | CE2 | CZ2 | HZ2 | 0.9° | 0.1° |
| HE1 | NE1 | CE2 | CD2 | 179.2° | 179.7° |
| HE1 | NE1 | CE2 | CZ2 | 1.2° | 0.1° |
| CE2 | CD2 | CE3 | CZ3 | 2.5° | 0.7° |
| CE2 | CD2 | CE3 | HE3 | 177.8° | 179.6° |
| CD2 | CE2 | CZ2 | CH2 | 0.7° | 0.4° |
| CD2 | CE2 | CZ2 | HZ2 | 179.5° | 179.7° |
| CZ2 | CE2 | CD2 | CE3 | 2.1° | 0.7° |
| CE2 | CZ2 | CH2 | CZ3 | 3.0° | 0.2° |
| CE2 | CZ2 | CH2 | BR2 | 176.9° | 180.0° |
| CE2 | CZ2 | CH2 | HZ2 | 179.9° | 179.8° |
| CD2 | CE3 | CZ3 | HE3 | 179.7° | 179.7° |
| CD2 | CE3 | CZ3 | CH2 | 0.2° | 0.4° |
| CD2 | CE3 | CZ3 | HZ3 | 179.8° | 179.7° |
| CE3 | CZ3 | CH2 | HZ3 | 180.0° | 179.9° |
| CE3 | CZ3 | CH2 | BR2 | 177.3° | 180.0° |
| CE3 | CZ3 | CH2 | CZ2 | 2.6° | 0.2° |
| HE3 | CE3 | CZ3 | CH2 | 179.9° | 179.9° |
| HE3 | CE3 | CZ3 | HZ3 | 0.1° | 0.0° |
| CZ3 | CH2 | BR2 | CZ2 | 179.9° | 179.8° |
| CZ3 | CH2 | CZ2 | HZ2 | 177.1° | 180.0° |
| HZ3 | CZ3 | CH2 | BR2 | 2.6° | 0.2° |
| HZ3 | CZ3 | CH2 | CZ2 | 177.5° | 180.0° |
| BR2 | CH2 | CZ2 | HZ2 | 2.9° | 0.2° |
