W4T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CE2 | CD2 | doub | 1.38Å | 1.39Å | Aromatic |
| CE2 | CZ | sing | 1.38Å | 1.35Å | Aromatic |
| CD2 | CG | sing | 1.38Å | 1.39Å | Aromatic |
| CZ | CE1 | doub | 1.38Å | 1.37Å | Aromatic |
| CB | C | sing | 1.51Å | 1.52Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| CG | CA | sing | 1.51Å | 1.52Å | |
| CG | CD1 | doub | 1.38Å | 1.38Å | Aromatic |
| CE1 | CD1 | sing | 1.38Å | 1.35Å | Aromatic |
| CE1 | BR1 | sing | 1.89Å | 1.88Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| C | OXT | sing | 1.34Å | 1.45Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB1C | sing | 1.09Å | 1.10Å | |
| CB | HB2C | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CD2 | CE2 | CZ | 119.5° | 120.0° |
| CE2 | CD2 | CG | 120.4° | 120.0° |
| CE2 | CD2 | HD2 | 119.8° | 120.0° |
| CD2 | CE2 | HE2 | 120.3° | 120.0° |
| CE2 | CZ | CE1 | 119.4° | 120.0° |
| CZ | CE2 | HE2 | 120.3° | 120.0° |
| CE2 | CZ | HZ | 120.3° | 120.0° |
| CD2 | CG | CA | 122.2° | 120.0° |
| CD2 | CG | CD1 | 119.2° | 120.0° |
| CG | CD2 | HD2 | 119.8° | 120.0° |
| CZ | CE1 | CD1 | 122.6° | 119.9° |
| CZ | CE1 | BR1 | 120.1° | 120.0° |
| CE1 | CZ | HZ | 120.3° | 120.0° |
| C | CB | CA | 111.6° | 109.4° |
| CB | C | O | 121.7° | 120.0° |
| CB | C | OXT | 116.3° | 119.9° |
| C | CB | HB1C | 109.0° | 109.5° |
| C | CB | HB2C | 109.0° | 109.5° |
| CB | CA | CG | 114.8° | 109.5° |
| CB | CA | N | 109.8° | 109.5° |
| CB | CA | HA | 106.2° | 109.4° |
| CA | CB | HB1C | 108.9° | 109.5° |
| CA | CB | HB2C | 108.9° | 109.4° |
| CA | CG | CD1 | 118.6° | 120.0° |
| CG | CA | N | 112.3° | 109.5° |
| CG | CA | HA | 106.3° | 109.5° |
| CG | CD1 | CE1 | 118.9° | 120.0° |
| CG | CD1 | HD1 | 120.6° | 120.1° |
| CD1 | CE1 | BR1 | 117.3° | 120.0° |
| CE1 | CD1 | HD1 | 120.6° | 119.9° |
| O | C | OXT | 121.9° | 120.1° |
| CA | N | H | 109.5° | 110.9° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 106.9° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| H | N | H2 | 109.4° | 111.0° |
| HB1C | CB | HB2C | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CD2 | CE2 | CZ | HE2 | 180.0° | 180.0° |
| CE2 | CD2 | CG | HD2 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | CE1 | 0.4° | 0.0° |
| CE2 | CD2 | CG | CA | 176.9° | 180.0° |
| CE2 | CD2 | CG | CD1 | 1.1° | 0.3° |
| CD2 | CE2 | CZ | HZ | 179.6° | 180.0° |
| CZ | CE2 | CD2 | CG | 0.8° | 0.0° |
| CE2 | CZ | CE1 | HZ | 180.0° | 180.0° |
| CE2 | CZ | CE1 | CD1 | 1.3° | 0.3° |
| CE2 | CZ | CE1 | BR1 | 179.0° | 180.0° |
| CZ | CE2 | CD2 | HD2 | 179.2° | 180.0° |
| CD2 | CG | CA | CB | 5.1° | 80.3° |
| CD2 | CG | CA | CD1 | 178.0° | 179.7° |
| CD2 | CG | CD1 | CE1 | 0.2° | 0.6° |
| CD2 | CG | CA | N | 121.3° | 39.7° |
| CG | CD2 | CE2 | HE2 | 179.2° | 180.0° |
| CD2 | CG | CD1 | HD1 | 179.9° | 179.8° |
| CD2 | CG | CA | HA | 122.2° | 159.7° |
| CZ | CE1 | CD1 | CG | 1.0° | 0.6° |
| CZ | CE1 | CD1 | BR1 | 177.7° | 179.7° |
| CE1 | CZ | CE2 | HE2 | 179.6° | 180.0° |
| CZ | CE1 | CD1 | HD1 | 178.9° | 179.8° |
| C | CB | CA | HB1C | 120.3° | 120.0° |
| C | CB | CA | HB2C | 120.4° | 119.9° |
| C | CB | CA | CG | 170.0° | 175.0° |
| CB | C | O | OXT | 175.9° | 180.0° |
| C | CB | CA | N | 62.3° | 65.0° |
| C | CB | CA | HA | 52.9° | 55.0° |
| C | CB | HB1C | HB2C | 119.0° | 120.0° |
| CB | C | OXT | HXT | 176.1° | 180.0° |
| CB | CA | CG | N | 126.4° | 120.0° |
| CB | CA | CG | HA | 117.1° | 120.0° |
| CB | CA | CG | CD1 | 172.9° | 100.0° |
| CA | CB | C | O | 32.4° | 0.0° |
| CB | CA | N | HA | 114.8° | 119.9° |
| CA | CB | C | OXT | 143.7° | 180.0° |
| CB | CA | N | H | 180.0° | 176.0° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| CA | CB | HB1C | HB2C | 119.0° | 120.0° |
| CA | CG | CD1 | CE1 | 177.9° | 179.7° |
| CG | CA | N | HA | 116.2° | 120.1° |
| CA | CG | CD2 | HD2 | 3.0° | 0.0° |
| CA | CG | CD1 | HD1 | 2.1° | 0.1° |
| CG | CA | N | H | 51.0° | 64.0° |
| CG | CA | N | H2 | 69.0° | 60.0° |
| CG | CA | CB | HB1C | 49.7° | 55.0° |
| CG | CA | CB | HB2C | 69.6° | 65.1° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.7° |
| CG | CD1 | CE1 | BR1 | 178.8° | 179.7° |
| CD1 | CG | CA | N | 60.7° | 140.0° |
| CD1 | CG | CD2 | HD2 | 179.0° | 179.7° |
| CD1 | CG | CA | HA | 55.8° | 20.0° |
| CD1 | CE1 | CZ | HZ | 178.7° | 179.7° |
| BR1 | CE1 | CZ | HZ | 1.0° | 0.0° |
| BR1 | CE1 | CD1 | HD1 | 1.2° | 0.0° |
| O | C | CB | HB1C | 87.9° | 120.0° |
| O | C | CB | HB2C | 152.8° | 119.9° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | HB1C | 177.4° | 175.0° |
| N | CA | CB | HB2C | 58.1° | 55.0° |
| OXT | C | CB | HB1C | 96.0° | 60.0° |
| OXT | C | CB | HB2C | 23.3° | 60.1° |
| HD2 | CD2 | CE2 | HE2 | 0.8° | 0.0° |
| HE2 | CE2 | CZ | HZ | 0.4° | 0.0° |
| H | N | CA | HA | 65.2° | 56.1° |
| H2 | N | CA | HA | 174.8° | 180.0° |
| HA | CA | CB | HB1C | 67.4° | 65.0° |
| HA | CA | CB | HB2C | 173.3° | 174.9° |
