6DU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.29Å | |
| C | CA | sing | 1.51Å | 1.50Å | |
| CA | N | sing | 1.47Å | 1.43Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CE2 | CZ | doub | 1.38Å | 1.37Å | Aromatic |
| CE2 | CD2 | sing | 1.38Å | 1.38Å | Aromatic |
| CZ | CE1 | sing | 1.38Å | 1.36Å | Aromatic |
| CD2 | CG | doub | 1.38Å | 1.36Å | Aromatic |
| CE1 | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
| CG | CD1 | sing | 1.38Å | 1.38Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.52Å | |
| CD1 | BR | sing | 1.89Å | 1.99Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CB | H8 | sing | 1.09Å | 1.10Å | |
| CB | H9 | sing | 1.09Å | 1.10Å | |
| CD2 | H10 | sing | 1.08Å | 1.08Å | |
| CE1 | H11 | sing | 1.08Å | 1.08Å | |
| CE2 | H12 | sing | 1.08Å | 1.08Å | |
| CZ | H13 | sing | 1.08Å | 1.08Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 120.0° | 119.9° |
| O | C | OXT | 123.1° | 120.0° |
| C | CA | N | 110.3° | 109.5° |
| C | CA | CB | 107.5° | 109.5° |
| C | CA | HA | 108.8° | 109.5° |
| CA | C | OXT | 116.9° | 120.0° |
| N | CA | CB | 112.1° | 109.5° |
| N | CA | HA | 109.6° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | CB | CG | 118.3° | 109.5° |
| CB | CA | HA | 108.5° | 109.4° |
| CA | CB | H8 | 107.2° | 109.4° |
| CA | CB | H9 | 107.3° | 109.5° |
| CZ | CE2 | CD2 | 120.1° | 120.0° |
| CE2 | CZ | CE1 | 119.9° | 120.0° |
| CZ | CE2 | H12 | 120.0° | 120.0° |
| CE2 | CZ | H13 | 120.1° | 120.0° |
| CE2 | CD2 | CG | 120.2° | 120.0° |
| CE2 | CD2 | H10 | 119.9° | 120.0° |
| CD2 | CE2 | H12 | 120.0° | 120.0° |
| CZ | CE1 | CD1 | 120.2° | 120.0° |
| CZ | CE1 | H11 | 119.9° | 120.0° |
| CE1 | CZ | H13 | 120.0° | 120.0° |
| CD2 | CG | CD1 | 120.0° | 120.0° |
| CD2 | CG | CB | 120.9° | 120.0° |
| CG | CD2 | H10 | 119.9° | 120.0° |
| CE1 | CD1 | CG | 119.6° | 120.0° |
| CE1 | CD1 | BR | 121.3° | 120.0° |
| CD1 | CE1 | H11 | 119.9° | 120.0° |
| CD1 | CG | CB | 119.0° | 120.0° |
| CG | CD1 | BR | 119.0° | 120.0° |
| CG | CB | H8 | 107.2° | 109.5° |
| CG | CB | H9 | 107.2° | 109.5° |
| H | N | H2 | 109.4° | 111.0° |
| H8 | CB | H9 | 109.4° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 179.7° | 179.7° |
| O | C | CA | N | 51.4° | 20.0° |
| O | C | CA | CB | 71.1° | 100.0° |
| O | C | CA | HA | 171.6° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | CA | N | CB | 119.7° | 120.0° |
| C | CA | N | HA | 119.7° | 120.0° |
| C | CA | CB | HA | 117.4° | 120.0° |
| C | CA | CB | CG | 44.9° | 175.0° |
| C | CA | N | H | 180.0° | 60.0° |
| C | CA | N | H2 | 60.0° | 176.0° |
| C | CA | CB | H8 | 166.2° | 65.0° |
| C | CA | CB | H9 | 76.3° | 55.0° |
| CA | C | OXT | HXT | 179.7° | 179.7° |
| N | CA | CB | HA | 121.2° | 120.0° |
| N | CA | CB | CG | 166.3° | 65.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | H8 | 72.4° | 55.0° |
| N | CA | CB | H9 | 45.1° | 175.0° |
| N | CA | C | OXT | 128.9° | 160.3° |
| CA | CB | CG | CD2 | 104.0° | 95.3° |
| CA | CB | CG | CD1 | 76.5° | 85.0° |
| CA | CB | CG | H8 | 121.3° | 119.9° |
| CA | CB | CG | H9 | 121.3° | 120.0° |
| CB | CA | N | H | 60.3° | 60.0° |
| CB | CA | N | H2 | 179.7° | 64.0° |
| CA | CB | H8 | H9 | 116.0° | 120.0° |
| CB | CA | C | OXT | 108.6° | 79.7° |
| CZ | CE2 | CD2 | H12 | 180.0° | 179.2° |
| CE2 | CZ | CE1 | H13 | 180.0° | 179.3° |
| CZ | CE2 | CD2 | CG | 0.1° | 0.6° |
| CE2 | CZ | CE1 | CD1 | 0.5° | 0.5° |
| CZ | CE2 | CD2 | H10 | 179.9° | 179.5° |
| CE2 | CZ | CE1 | H11 | 179.6° | 179.4° |
| CD2 | CE2 | CZ | CE1 | 0.3° | 0.8° |
| CE2 | CD2 | CG | H10 | 180.0° | 180.0° |
| CE2 | CD2 | CG | CD1 | 0.1° | 0.0° |
| CE2 | CD2 | CG | CB | 179.6° | 179.7° |
| CD2 | CE2 | CZ | H13 | 179.7° | 180.0° |
| CZ | CE1 | CD1 | H11 | 180.0° | 179.9° |
| CZ | CE1 | CD1 | CG | 0.3° | 0.0° |
| CZ | CE1 | CD1 | BR | 179.8° | 179.9° |
| CE1 | CZ | CE2 | H12 | 179.6° | 179.9° |
| CD2 | CG | CD1 | CE1 | 0.0° | 0.3° |
| CD2 | CG | CD1 | CB | 179.5° | 179.8° |
| CD2 | CG | CD1 | BR | 180.0° | 179.7° |
| CD2 | CG | CB | H8 | 134.7° | 144.8° |
| CD2 | CG | CB | H9 | 17.3° | 24.8° |
| CG | CD2 | CE2 | H12 | 179.9° | 179.7° |
| CE1 | CD1 | CG | BR | 179.9° | 180.0° |
| CE1 | CD1 | CG | CB | 179.4° | 180.0° |
| CD1 | CE1 | CZ | H13 | 179.6° | 179.7° |
| CD1 | CG | CB | H8 | 44.8° | 35.0° |
| CD1 | CG | CB | H9 | 162.2° | 155.0° |
| CD1 | CG | CD2 | H10 | 179.9° | 180.0° |
| CG | CD1 | CE1 | H11 | 179.7° | 180.0° |
| CB | CG | CD1 | BR | 0.5° | 0.0° |
| CG | CB | CA | HA | 72.5° | 55.0° |
| CG | CB | H8 | H9 | 116.0° | 120.0° |
| CB | CG | CD2 | H10 | 0.4° | 0.3° |
| BR | CD1 | CE1 | H11 | 0.2° | 0.0° |
| HA | CA | N | H | 60.2° | 180.0° |
| HA | CA | N | H2 | 59.7° | 56.0° |
| HA | CA | CB | H8 | 48.8° | 175.0° |
| HA | CA | CB | H9 | 166.2° | 65.0° |
| HA | CA | C | OXT | 8.7° | 40.3° |
| H10 | CD2 | CE2 | H12 | 0.1° | 0.3° |
| H11 | CE1 | CZ | H13 | 0.4° | 0.2° |
| H12 | CE2 | CZ | H13 | 0.3° | 0.8° |
