5DW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | trip | 1.17Å | 1.20Å | |
| C1 | CZ | sing | 1.43Å | 1.52Å | |
| CE1 | CZ | doub | 1.40Å | 1.39Å | Aromatic |
| CE1 | CD1 | sing | 1.38Å | 1.39Å | Aromatic |
| CZ | CE2 | sing | 1.40Å | 1.38Å | Aromatic |
| N | CA | sing | 1.47Å | 1.42Å | |
| CD1 | CG | doub | 1.38Å | 1.38Å | Aromatic |
| CE2 | CD2 | doub | 1.38Å | 1.39Å | Aromatic |
| CA | C | sing | 1.51Å | 1.51Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CG | CD2 | sing | 1.38Å | 1.39Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.51Å | |
| C | O | doub | 1.21Å | 1.26Å | |
| C | OXT | sing | 1.34Å | 1.41Å | |
| C2 | H1 | sing | 1.05Å | 1.06Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CB | H7 | sing | 1.09Å | 1.10Å | |
| CD1 | H8 | sing | 1.08Å | 1.08Å | |
| CD2 | H9 | sing | 1.08Å | 1.08Å | |
| CE1 | H10 | sing | 1.08Å | 1.08Å | |
| CE2 | H11 | 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) |
| C2 | C1 | CZ | 179.1° | 179.9° |
| C1 | C2 | H1 | 180.0° | 179.9° |
| C1 | CZ | CE1 | 121.5° | 120.1° |
| C1 | CZ | CE2 | 119.2° | 120.2° |
| CZ | CE1 | CD1 | 120.6° | 119.9° |
| CE1 | CZ | CE2 | 119.3° | 119.7° |
| CZ | CE1 | H10 | 119.7° | 120.1° |
| CE1 | CD1 | CG | 120.1° | 120.2° |
| CE1 | CD1 | H8 | 120.0° | 119.9° |
| CD1 | CE1 | H10 | 119.7° | 120.1° |
| CZ | CE2 | CD2 | 120.0° | 119.9° |
| CZ | CE2 | H11 | 120.0° | 120.1° |
| N | CA | C | 108.2° | 109.5° |
| N | CA | CB | 109.8° | 109.4° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | N | H | 109.5° | 111.0° |
| N | CA | HA | 109.9° | 109.4° |
| CD1 | CG | CD2 | 119.1° | 120.3° |
| CD1 | CG | CB | 121.4° | 119.9° |
| CG | CD1 | H8 | 120.0° | 119.9° |
| CE2 | CD2 | CG | 120.9° | 120.1° |
| CE2 | CD2 | H9 | 119.5° | 119.9° |
| CD2 | CE2 | H11 | 119.9° | 120.0° |
| C | CA | CB | 111.7° | 109.5° |
| CA | C | O | 120.7° | 120.0° |
| CA | C | OXT | 116.3° | 120.0° |
| C | CA | HA | 108.6° | 109.5° |
| CA | CB | CG | 111.3° | 109.5° |
| CB | CA | HA | 108.6° | 109.5° |
| CA | CB | H6 | 109.0° | 109.5° |
| CA | CB | H7 | 109.0° | 109.4° |
| CD2 | CG | CB | 119.4° | 119.8° |
| CG | CD2 | H9 | 119.6° | 120.0° |
| CG | CB | H6 | 109.0° | 109.5° |
| CG | CB | H7 | 109.0° | 109.5° |
| O | C | OXT | 123.0° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H2 | N | H | 109.4° | 111.0° |
| H6 | CB | H7 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | CZ | CE1 | 169.0° | 95.6° |
| C2 | C1 | CZ | CE2 | 10.2° | 84.7° |
| C1 | CZ | CE1 | CE2 | 179.2° | 179.6° |
| C1 | CZ | CE1 | CD1 | 179.7° | 180.0° |
| C1 | CZ | CE2 | CD2 | 180.0° | 179.8° |
| CZ | C1 | C2 | H1 | 125.3° | 157.1° |
| C1 | CZ | CE1 | H10 | 0.3° | 0.3° |
| C1 | CZ | CE2 | H11 | 0.1° | 0.4° |
| CZ | CE1 | CD1 | H10 | 180.0° | 179.7° |
| CZ | CE1 | CD1 | CG | 0.7° | 0.0° |
| CE1 | CZ | CE2 | CD2 | 0.8° | 0.6° |
| CZ | CE1 | CD1 | H8 | 179.3° | 180.0° |
| CE1 | CZ | CE2 | H11 | 179.2° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 1.1° | 0.3° |
| CE1 | CD1 | CG | H8 | 180.0° | 180.0° |
| CE1 | CD1 | CG | CD2 | 0.1° | 0.0° |
| CE1 | CD1 | CG | CB | 179.7° | 179.7° |
| CZ | CE2 | CD2 | H11 | 180.0° | 179.4° |
| CZ | CE2 | CD2 | CG | 0.2° | 0.5° |
| CZ | CE2 | CD2 | H9 | 179.8° | 179.5° |
| CE2 | CZ | CE1 | H10 | 178.9° | 180.0° |
| N | CA | C | CB | 121.0° | 120.0° |
| N | CA | C | HA | 119.3° | 120.0° |
| N | CA | CB | HA | 120.2° | 119.9° |
| N | CA | CB | CG | 67.9° | 65.0° |
| N | CA | C | O | 161.3° | 20.0° |
| N | CA | C | OXT | 17.8° | 160.0° |
| CA | N | H2 | H | 120.0° | 123.9° |
| N | CA | CB | H6 | 52.4° | 55.0° |
| N | CA | CB | H7 | 171.8° | 175.0° |
| CD1 | CG | CD2 | CE2 | 0.1° | 0.2° |
| CD1 | CG | CB | CA | 62.9° | 89.7° |
| CD1 | CG | CD2 | CB | 179.8° | 179.8° |
| CD1 | CG | CB | H6 | 176.8° | 150.2° |
| CD1 | CG | CB | H7 | 57.4° | 30.2° |
| CD1 | CG | CD2 | H9 | 179.9° | 179.7° |
| CG | CD1 | CE1 | H10 | 179.2° | 179.7° |
| CE2 | CD2 | CG | H9 | 180.0° | 180.0° |
| CE2 | CD2 | CG | CB | 180.0° | 180.0° |
| C | CA | CB | HA | 119.8° | 120.0° |
| C | CA | CB | CG | 172.1° | 175.0° |
| CA | C | O | OXT | 179.0° | 180.0° |
| C | CA | N | H2 | 180.0° | 63.9° |
| C | CA | N | H | 60.0° | 60.0° |
| C | CA | CB | H6 | 67.7° | 65.0° |
| C | CA | CB | H7 | 51.8° | 55.0° |
| CA | C | OXT | HXT | 179.1° | 180.0° |
| CA | CB | CG | CD2 | 116.9° | 90.1° |
| CA | CB | CG | H6 | 120.3° | 120.0° |
| CA | CB | CG | H7 | 120.3° | 119.9° |
| CB | CA | C | O | 40.3° | 100.0° |
| CB | CA | C | OXT | 138.8° | 80.0° |
| CB | CA | N | H2 | 57.9° | 176.1° |
| CB | CA | N | H | 177.9° | 60.0° |
| CA | CB | H6 | H7 | 119.2° | 120.0° |
| CD2 | CG | CB | H6 | 3.4° | 30.0° |
| CD2 | CG | CB | H7 | 122.8° | 150.0° |
| CD2 | CG | CD1 | H8 | 179.9° | 180.0° |
| CG | CD2 | CE2 | H11 | 179.8° | 179.9° |
| CG | CB | CA | HA | 52.3° | 54.9° |
| CG | CB | H6 | H7 | 119.1° | 120.0° |
| CB | CG | CD1 | H8 | 0.3° | 0.3° |
| CB | CG | CD2 | H9 | 0.0° | 0.0° |
| O | C | CA | HA | 79.4° | 139.9° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | HA | 101.5° | 40.0° |
| H2 | N | CA | HA | 61.5° | 56.1° |
| H | N | CA | HA | 58.5° | 180.0° |
| HA | CA | CB | H6 | 172.6° | 175.0° |
| HA | CA | CB | H7 | 68.0° | 65.0° |
| H8 | CD1 | CE1 | H10 | 0.8° | 0.3° |
| H9 | CD2 | CE2 | H11 | 0.2° | 0.0° |
