6CV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| BR | CE2 | sing | 1.89Å | 1.94Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CE2 | CZ | doub | 1.38Å | 1.38Å | Aromatic |
| CE2 | CD2 | sing | 1.38Å | 1.39Å | Aromatic |
| CZ | CE1 | sing | 1.38Å | 1.39Å | Aromatic |
| CD2 | CG | doub | 1.38Å | 1.39Å | Aromatic |
| CE1 | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
| CG | CD1 | sing | 1.38Å | 1.39Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.51Å | |
| 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 | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CD1 | H7 | sing | 1.08Å | 1.08Å | |
| CE1 | H8 | sing | 1.08Å | 1.08Å | |
| CZ | H9 | sing | 1.08Å | 1.08Å | |
| CD2 | H10 | 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) |
| O | C | CA | 119.8° | 120.0° |
| O | C | OXT | 123.1° | 120.0° |
| C | CA | N | 110.6° | 109.5° |
| C | CA | CB | 111.5° | 109.5° |
| CA | C | OXT | 117.1° | 120.0° |
| C | CA | HA | 107.5° | 109.5° |
| BR | CE2 | CZ | 121.1° | 120.0° |
| BR | CE2 | CD2 | 118.7° | 120.1° |
| N | CA | CB | 111.3° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.1° |
| N | CA | HA | 108.3° | 109.4° |
| CA | CB | CG | 115.8° | 109.5° |
| CB | CA | HA | 107.4° | 109.4° |
| CA | CB | HB1 | 107.9° | 109.5° |
| CA | CB | HB2 | 107.9° | 109.5° |
| CZ | CE2 | CD2 | 120.2° | 119.9° |
| CE2 | CZ | CE1 | 118.9° | 120.0° |
| CE2 | CZ | H9 | 120.6° | 120.0° |
| CE2 | CD2 | CG | 121.0° | 120.0° |
| CE2 | CD2 | H10 | 119.5° | 120.0° |
| CZ | CE1 | CD1 | 121.1° | 120.0° |
| CZ | CE1 | H8 | 119.4° | 120.0° |
| CE1 | CZ | H9 | 120.6° | 120.0° |
| CD2 | CG | CD1 | 119.3° | 120.0° |
| CD2 | CG | CB | 119.4° | 120.0° |
| CG | CD2 | H10 | 119.5° | 120.0° |
| CE1 | CD1 | CG | 119.5° | 120.0° |
| CE1 | CD1 | H7 | 120.3° | 120.0° |
| CD1 | CE1 | H8 | 119.4° | 120.0° |
| CD1 | CG | CB | 121.3° | 120.0° |
| CG | CD1 | H7 | 120.3° | 119.9° |
| CG | CB | HB1 | 107.8° | 109.4° |
| CG | CB | HB2 | 107.9° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| H | N | H2 | 109.5° | 111.0° |
| HB1 | CB | HB2 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 179.5° | 180.0° |
| O | C | CA | N | 47.3° | 20.0° |
| O | C | CA | CB | 77.1° | 100.0° |
| O | C | CA | HA | 165.4° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | CA | N | CB | 124.5° | 120.0° |
| C | CA | N | HA | 117.6° | 120.0° |
| C | CA | CB | HA | 117.5° | 120.1° |
| C | CA | CB | CG | 55.0° | 175.0° |
| C | CA | N | H | 180.0° | 60.0° |
| C | CA | N | H2 | 60.0° | 176.1° |
| C | CA | CB | HB1 | 175.9° | 65.0° |
| C | CA | CB | HB2 | 65.9° | 55.0° |
| CA | C | OXT | HXT | 179.5° | 180.0° |
| BR | CE2 | CZ | CD2 | 180.0° | 179.7° |
| BR | CE2 | CZ | CE1 | 179.5° | 180.0° |
| BR | CE2 | CD2 | CG | 179.7° | 179.7° |
| BR | CE2 | CZ | H9 | 0.5° | 0.0° |
| BR | CE2 | CD2 | H10 | 0.3° | 0.0° |
| N | CA | CB | HA | 118.4° | 119.9° |
| N | CA | CB | CG | 179.0° | 64.9° |
| N | CA | C | OXT | 132.2° | 160.0° |
| CA | N | H | H2 | 120.0° | 124.1° |
| N | CA | CB | HB1 | 60.1° | 55.1° |
| N | CA | CB | HB2 | 58.1° | 175.0° |
| CA | CB | CG | CD2 | 99.0° | 90.3° |
| CA | CB | CG | CD1 | 80.3° | 90.0° |
| CA | CB | CG | HB1 | 120.9° | 120.0° |
| CA | CB | CG | HB2 | 120.9° | 120.1° |
| CB | CA | C | OXT | 103.4° | 80.0° |
| CB | CA | N | H | 55.5° | 60.1° |
| CB | CA | N | H2 | 175.5° | 63.9° |
| CA | CB | HB1 | HB2 | 117.1° | 120.0° |
| CE2 | CZ | CE1 | H9 | 180.0° | 180.0° |
| CZ | CE2 | CD2 | CG | 0.3° | 0.6° |
| CE2 | CZ | CE1 | CD1 | 0.2° | 0.0° |
| CE2 | CZ | CE1 | H8 | 179.9° | 179.9° |
| CZ | CE2 | CD2 | H10 | 179.7° | 179.7° |
| CD2 | CE2 | CZ | CE1 | 0.5° | 0.3° |
| CE2 | CD2 | CG | H10 | 180.0° | 179.7° |
| CE2 | CD2 | CG | CD1 | 0.4° | 0.6° |
| CE2 | CD2 | CG | CB | 179.7° | 179.7° |
| CD2 | CE2 | CZ | H9 | 179.5° | 179.7° |
| CZ | CE1 | CD1 | H8 | 180.0° | 179.9° |
| CZ | CE1 | CD1 | CG | 0.5° | 0.0° |
| CZ | CE1 | CD1 | H7 | 179.6° | 179.9° |
| CD2 | CG | CD1 | CE1 | 0.7° | 0.3° |
| CD2 | CG | CD1 | CB | 179.3° | 179.7° |
| CD2 | CG | CB | HB1 | 140.1° | 149.7° |
| CD2 | CG | CB | HB2 | 21.9° | 29.8° |
| CD2 | CG | CD1 | H7 | 179.3° | 179.8° |
| CE1 | CD1 | CG | H7 | 180.0° | 179.9° |
| CE1 | CD1 | CG | CB | 180.0° | 180.0° |
| CD1 | CE1 | CZ | H9 | 179.8° | 180.0° |
| CD1 | CG | CB | HB1 | 40.6° | 30.0° |
| CD1 | CG | CB | HB2 | 158.8° | 149.9° |
| CG | CD1 | CE1 | H8 | 179.5° | 179.9° |
| CD1 | CG | CD2 | H10 | 179.7° | 179.7° |
| CG | CB | CA | HA | 62.6° | 55.0° |
| CG | CB | HB1 | HB2 | 117.1° | 120.0° |
| CB | CG | CD1 | H7 | 0.0° | 0.1° |
| CB | CG | CD2 | H10 | 0.3° | 0.1° |
| OXT | C | CA | HA | 14.1° | 40.0° |
| H | N | CA | HA | 62.4° | 180.0° |
| H2 | N | CA | HA | 57.6° | 56.0° |
| HA | CA | CB | HB1 | 58.4° | 175.0° |
| HA | CA | CB | HB2 | 176.5° | 65.1° |
| H7 | CD1 | CE1 | H8 | 0.4° | 0.0° |
| H8 | CE1 | CZ | H9 | 0.2° | 0.1° |
