0WZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CE1 | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
| CE1 | CZ | sing | 1.39Å | 1.39Å | Aromatic |
| CD1 | CG | sing | 1.38Å | 1.40Å | Aromatic |
| OH | CZ | sing | 1.36Å | 1.37Å | |
| CZ | CE2 | doub | 1.39Å | 1.40Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.49Å | |
| CG | CD2 | doub | 1.38Å | 1.39Å | Aromatic |
| CE2 | CD2 | sing | 1.39Å | 1.39Å | Aromatic |
| CE2 | N2 | sing | 1.40Å | 1.43Å | |
| CB | CA | sing | 1.53Å | 1.50Å | |
| N2 | N1 | sing | 1.40Å | 1.33Å | Aromatic |
| N2 | C3 | sing | 1.35Å | 1.33Å | Aromatic |
| N1 | C5 | doub | 1.31Å | 1.34Å | Aromatic |
| O | C | doub | 1.21Å | 1.24Å | |
| C3 | C4 | doub | 1.35Å | 1.42Å | Aromatic |
| N | CA | sing | 1.47Å | 1.44Å | |
| C5 | C4 | sing | 1.40Å | 1.41Å | Aromatic |
| CA | C | sing | 1.51Å | 1.48Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | 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 | H8 | sing | 1.09Å | 1.10Å | |
| CB | H9 | sing | 1.09Å | 1.10Å | |
| CD1 | H10 | sing | 1.08Å | 1.08Å | |
| CE1 | H11 | sing | 1.08Å | 1.08Å | |
| OH | H12 | sing | 0.97Å | 0.95Å | |
| CD2 | H13 | sing | 1.08Å | 1.08Å | |
| C | OXT | sing | 1.34Å | 15.83Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CD1 | CE1 | CZ | 119.3° | 120.0° |
| CE1 | CD1 | CG | 120.4° | 120.2° |
| CE1 | CD1 | H10 | 119.8° | 119.9° |
| CD1 | CE1 | H11 | 120.3° | 120.0° |
| CE1 | CZ | OH | 119.1° | 120.1° |
| CE1 | CZ | CE2 | 120.6° | 119.8° |
| CZ | CE1 | H11 | 120.4° | 120.0° |
| CD1 | CG | CB | 120.3° | 119.9° |
| CD1 | CG | CD2 | 119.8° | 120.2° |
| CG | CD1 | H10 | 119.8° | 120.0° |
| OH | CZ | CE2 | 120.4° | 120.1° |
| CZ | OH | H12 | 109.5° | 114.0° |
| CZ | CE2 | CD2 | 120.0° | 119.8° |
| CZ | CE2 | N2 | 121.1° | 120.1° |
| CB | CG | CD2 | 119.8° | 119.9° |
| CG | CB | CA | 111.8° | 109.5° |
| CG | CB | H8 | 108.9° | 109.5° |
| CG | CB | H9 | 108.9° | 109.5° |
| CG | CD2 | CE2 | 119.9° | 120.0° |
| CG | CD2 | H13 | 120.0° | 120.0° |
| CD2 | CE2 | N2 | 118.8° | 120.1° |
| CE2 | CD2 | H13 | 120.1° | 120.0° |
| CE2 | N2 | N1 | 121.3° | 126.0° |
| CE2 | N2 | C3 | 127.9° | 126.1° |
| CB | CA | N | 109.8° | 109.4° |
| CB | CA | C | 112.9° | 109.5° |
| CB | CA | HA | 107.6° | 109.5° |
| CA | CB | H8 | 108.9° | 109.5° |
| CA | CB | H9 | 108.9° | 109.4° |
| N1 | N2 | C3 | 110.8° | 107.9° |
| N2 | N1 | C5 | 109.7° | 108.2° |
| N2 | C3 | C4 | 106.8° | 107.7° |
| N2 | C3 | H4 | 126.6° | 126.1° |
| N1 | C5 | C4 | 107.5° | 108.2° |
| N1 | C5 | H3 | 126.3° | 125.9° |
| O | C | CA | 120.1° | 120.0° |
| O | C | OXT | 75.0° | 120.0° |
| C3 | C4 | C5 | 105.3° | 107.9° |
| C3 | C4 | H1 | 127.4° | 126.1° |
| C4 | C3 | H4 | 126.6° | 126.1° |
| N | CA | C | 110.1° | 109.4° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.1° |
| N | CA | HA | 108.4° | 109.5° |
| C5 | C4 | H1 | 127.4° | 126.0° |
| C4 | C5 | H3 | 126.2° | 125.9° |
| C | CA | HA | 107.8° | 109.5° |
| CA | C | OXT | 78.7° | 120.0° |
| H | N | H2 | 109.5° | 111.0° |
| H8 | CB | H9 | 109.4° | 109.5° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CD1 | CE1 | CZ | H11 | 180.0° | 180.0° |
| CE1 | CD1 | CG | H10 | 180.0° | 179.9° |
| CD1 | CE1 | CZ | OH | 179.4° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.0° | 0.1° |
| CE1 | CD1 | CG | CB | 178.5° | 179.9° |
| CE1 | CD1 | CG | CD2 | 1.5° | 0.3° |
| CZ | CE1 | CD1 | CG | 1.0° | 0.1° |
| CE1 | CZ | OH | CE2 | 179.4° | 179.9° |
| CE1 | CZ | CE2 | CD2 | 0.5° | 0.3° |
| CE1 | CZ | CE2 | N2 | 177.8° | 179.9° |
| CZ | CE1 | CD1 | H10 | 179.0° | 180.0° |
| CE1 | CZ | OH | H12 | 180.0° | 90.1° |
| CD1 | CG | CB | CD2 | 177.0° | 179.8° |
| CD1 | CG | CD2 | CE2 | 1.0° | 0.5° |
| CD1 | CG | CB | CA | 92.6° | 89.7° |
| CD1 | CG | CB | H8 | 147.0° | 150.3° |
| CD1 | CG | CB | H9 | 27.8° | 30.2° |
| CG | CD1 | CE1 | H11 | 179.0° | 179.9° |
| CD1 | CG | CD2 | H13 | 179.0° | 179.7° |
| OH | CZ | CE2 | CD2 | 179.8° | 179.8° |
| OH | CZ | CE2 | N2 | 2.9° | 0.0° |
| OH | CZ | CE1 | H11 | 0.6° | 0.0° |
| CZ | CE2 | CD2 | CG | 0.0° | 0.5° |
| CZ | CE2 | CD2 | N2 | 177.4° | 179.7° |
| CZ | CE2 | N2 | N1 | 136.6° | 179.9° |
| CZ | CE2 | N2 | C3 | 40.8° | 0.2° |
| CE2 | CZ | CE1 | H11 | 180.0° | 179.9° |
| CE2 | CZ | OH | H12 | 0.6° | 90.0° |
| CZ | CE2 | CD2 | H13 | 179.9° | 179.7° |
| CB | CG | CD2 | CE2 | 178.0° | 179.7° |
| CG | CB | CA | H8 | 120.4° | 120.1° |
| CG | CB | CA | H9 | 120.4° | 119.9° |
| CG | CB | CA | N | 63.8° | 65.1° |
| CG | CB | CA | C | 172.9° | 175.0° |
| CG | CB | CA | HA | 54.0° | 55.0° |
| CG | CB | H8 | H9 | 118.9° | 120.0° |
| CB | CG | CD1 | H10 | 1.5° | 0.0° |
| CB | CG | CD2 | H13 | 2.0° | 0.1° |
| CG | CD2 | CE2 | H13 | 180.0° | 179.8° |
| CG | CD2 | CE2 | N2 | 177.3° | 179.7° |
| CD2 | CG | CB | CA | 84.4° | 90.1° |
| CD2 | CG | CB | H8 | 36.0° | 30.0° |
| CD2 | CG | CB | H9 | 155.3° | 150.0° |
| CD2 | CG | CD1 | H10 | 178.5° | 179.8° |
| CD2 | CE2 | N2 | N1 | 40.7° | 0.2° |
| CD2 | CE2 | N2 | C3 | 141.9° | 179.5° |
| CE2 | N2 | N1 | C3 | 177.8° | 179.7° |
| CE2 | N2 | N1 | C5 | 178.3° | 180.0° |
| CE2 | N2 | C3 | C4 | 178.5° | 179.8° |
| CE2 | N2 | C3 | H4 | 1.5° | 0.2° |
| N2 | CE2 | CD2 | H13 | 2.7° | 0.0° |
| CB | CA | C | O | 60.2° | 100.0° |
| CB | CA | N | C | 125.0° | 119.9° |
| CB | CA | N | HA | 117.3° | 120.0° |
| CB | CA | C | HA | 118.8° | 120.0° |
| CB | CA | N | H | 180.0° | 176.1° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| CA | CB | H8 | H9 | 118.9° | 120.0° |
| CB | CA | C | OXT | 125.3° | 80.0° |
| N1 | N2 | C3 | C4 | 0.9° | 0.0° |
| N2 | N1 | C5 | C4 | 0.1° | 0.4° |
| N1 | N2 | C3 | H4 | 179.1° | 179.9° |
| N2 | N1 | C5 | H3 | 179.9° | 179.7° |
| C3 | N2 | N1 | C5 | 0.5° | 0.2° |
| N2 | C3 | C4 | H4 | 180.0° | 179.9° |
| N2 | C3 | C4 | C5 | 0.9° | 0.2° |
| N2 | C3 | C4 | H1 | 179.1° | 180.0° |
| N1 | C5 | C4 | C3 | 0.6° | 0.4° |
| N1 | C5 | C4 | H3 | 180.0° | 179.9° |
| N1 | C5 | C4 | H1 | 179.4° | 179.9° |
| O | C | CA | N | 63.0° | 20.0° |
| O | C | CA | OXT | 65.1° | 180.0° |
| O | C | CA | HA | 179.0° | 140.0° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| C3 | C4 | C5 | H1 | 180.0° | 179.8° |
| C3 | C4 | C5 | H3 | 179.4° | 179.7° |
| N | CA | C | HA | 118.1° | 120.1° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | H8 | 175.9° | 55.0° |
| N | CA | CB | H9 | 56.6° | 175.0° |
| N | CA | C | OXT | 2.2° | 160.1° |
| C5 | C4 | C3 | H4 | 179.1° | 179.9° |
| C | CA | N | H | 55.0° | 64.0° |
| C | CA | N | H2 | 65.0° | 60.0° |
| C | CA | CB | H8 | 52.6° | 64.9° |
| C | CA | CB | H9 | 66.7° | 55.1° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| H1 | C4 | C3 | H4 | 0.9° | 0.1° |
| H1 | C4 | C5 | H3 | 0.6° | 0.0° |
| H | N | CA | HA | 62.7° | 56.0° |
| H2 | N | CA | HA | 177.3° | 180.0° |
| HA | CA | CB | H8 | 66.4° | 175.1° |
| HA | CA | CB | H9 | 174.4° | 64.9° |
| HA | CA | C | OXT | 115.9° | 40.0° |
| H10 | CD1 | CE1 | H11 | 1.0° | 0.0° |
