WWB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NE1 | CD1 | sing | 1.37Å | 1.38Å | Aromatic |
| NE1 | CE2 | sing | 1.38Å | 1.38Å | Aromatic |
| CZ2 | CE2 | doub | 1.39Å | 1.39Å | Aromatic |
| CZ2 | CH2 | sing | 1.38Å | 1.40Å | Aromatic |
| CD1 | CG | doub | 1.34Å | 1.35Å | Aromatic |
| CE2 | CD2 | sing | 1.41Å | 1.41Å | Aromatic |
| O | C | doub | 1.21Å | 1.23Å | |
| CH2 | CZ3 | doub | 1.39Å | 1.40Å | Aromatic |
| C | CA | sing | 1.51Å | 1.52Å | |
| CG | CD2 | sing | 1.46Å | 1.46Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.49Å | |
| CD2 | CE3 | doub | 1.40Å | 1.41Å | Aromatic |
| CZ3 | CE3 | sing | 1.37Å | 1.40Å | Aromatic |
| CZ3 | CP1 | sing | 1.51Å | 1.51Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CP5 | CP3 | sing | 1.51Å | 1.51Å | |
| CP1 | CP2 | sing | 1.51Å | 1.51Å | |
| CP3 | CP4 | sing | 1.51Å | 1.51Å | |
| CP3 | CP2 | doub | 1.31Å | 1.40Å | |
| 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 | HB3 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CE3 | HE3 | sing | 1.08Å | 1.08Å | |
| NE1 | HE1 | sing | 0.97Å | 1.00Å | |
| CZ2 | HZ2 | sing | 1.08Å | 1.08Å | |
| CH2 | HH2 | sing | 1.08Å | 1.08Å | |
| CP1 | HP11 | sing | 1.09Å | 1.10Å | |
| CP1 | HP12 | sing | 1.09Å | 1.10Å | |
| CP2 | HP2 | sing | 1.08Å | 1.08Å | |
| CP4 | HP41 | sing | 1.09Å | 1.10Å | |
| CP4 | HP42 | sing | 1.09Å | 1.10Å | |
| CP4 | HP43 | sing | 1.09Å | 1.10Å | |
| CP5 | HP52 | sing | 1.09Å | 1.10Å | |
| CP5 | HP53 | sing | 1.09Å | 1.10Å | |
| CP5 | HP51 | 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) |
| CD1 | NE1 | CE2 | 111.7° | 109.9° |
| NE1 | CD1 | CG | 108.8° | 109.9° |
| NE1 | CD1 | HD1 | 125.6° | 125.1° |
| CD1 | NE1 | HE1 | 124.2° | 125.0° |
| NE1 | CE2 | CZ2 | 133.8° | 133.6° |
| NE1 | CE2 | CD2 | 104.6° | 107.1° |
| CE2 | NE1 | HE1 | 124.1° | 125.0° |
| CE2 | CZ2 | CH2 | 119.6° | 119.8° |
| CZ2 | CE2 | CD2 | 121.6° | 119.3° |
| CE2 | CZ2 | HZ2 | 120.2° | 120.1° |
| CZ2 | CH2 | CZ3 | 120.0° | 120.6° |
| CH2 | CZ2 | HZ2 | 120.2° | 120.1° |
| CZ2 | CH2 | HH2 | 120.0° | 119.7° |
| CD1 | CG | CD2 | 106.4° | 107.0° |
| CD1 | CG | CB | 125.0° | 126.5° |
| CG | CD1 | HD1 | 125.6° | 125.0° |
| CE2 | CD2 | CG | 108.5° | 106.0° |
| CE2 | CD2 | CE3 | 118.1° | 119.9° |
| O | C | CA | 120.8° | 120.0° |
| O | C | OXT | 123.0° | 120.0° |
| CH2 | CZ3 | CE3 | 120.4° | 120.5° |
| CH2 | CZ3 | CP1 | 119.8° | 119.7° |
| CZ3 | CH2 | HH2 | 120.0° | 119.7° |
| C | CA | N | 110.7° | 109.5° |
| C | CA | CB | 109.6° | 109.5° |
| CA | C | OXT | 116.2° | 120.0° |
| C | CA | HA | 108.5° | 109.5° |
| CD2 | CG | CB | 128.6° | 126.5° |
| CG | CD2 | CE3 | 133.4° | 134.0° |
| CG | CB | CA | 109.5° | 109.5° |
| CG | CB | HB3 | 109.5° | 109.4° |
| CG | CB | HB2 | 109.4° | 109.5° |
| CD2 | CE3 | CZ3 | 120.4° | 119.7° |
| CD2 | CE3 | HE3 | 119.8° | 120.1° |
| CE3 | CZ3 | CP1 | 119.8° | 119.7° |
| CZ3 | CE3 | HE3 | 119.8° | 120.1° |
| CZ3 | CP1 | CP2 | 109.3° | 109.5° |
| CZ3 | CP1 | HP11 | 109.5° | 109.4° |
| CZ3 | CP1 | HP12 | 109.5° | 109.4° |
| N | CA | CB | 110.0° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 109.5° | 109.5° |
| CB | CA | HA | 108.5° | 109.5° |
| CA | CB | HB3 | 109.5° | 109.5° |
| CA | CB | HB2 | 109.5° | 109.5° |
| CP5 | CP3 | CP4 | 109.2° | 120.0° |
| CP5 | CP3 | CP2 | 125.4° | 120.0° |
| CP3 | CP5 | HP52 | 109.5° | 109.5° |
| CP3 | CP5 | HP53 | 109.5° | 109.5° |
| CP3 | CP5 | HP51 | 109.5° | 109.5° |
| CP1 | CP2 | CP3 | 124.8° | 120.0° |
| CP2 | CP1 | HP11 | 109.5° | 109.5° |
| CP2 | CP1 | HP12 | 109.5° | 109.5° |
| CP1 | CP2 | HP2 | 117.6° | 120.0° |
| CP4 | CP3 | CP2 | 125.5° | 120.0° |
| CP3 | CP4 | HP41 | 109.5° | 109.4° |
| CP3 | CP4 | HP42 | 109.5° | 109.5° |
| CP3 | CP4 | HP43 | 109.5° | 109.5° |
| CP3 | CP2 | HP2 | 117.6° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H | N | H2 | 109.5° | 111.0° |
| HB3 | CB | HB2 | 109.5° | 109.4° |
| HP11 | CP1 | HP12 | 109.5° | 109.4° |
| HP41 | CP4 | HP42 | 109.4° | 109.4° |
| HP41 | CP4 | HP43 | 109.5° | 109.5° |
| HP42 | CP4 | HP43 | 109.5° | 109.5° |
| HP52 | CP5 | HP53 | 109.5° | 109.4° |
| HP52 | CP5 | HP51 | 109.4° | 109.5° |
| HP53 | CP5 | HP51 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CD1 | NE1 | CE2 | HE1 | 180.0° | 179.8° |
| CD1 | NE1 | CE2 | CZ2 | 179.9° | 179.9° |
| NE1 | CD1 | CG | HD1 | 180.0° | 180.0° |
| CD1 | NE1 | CE2 | CD2 | 0.0° | 0.5° |
| NE1 | CD1 | CG | CD2 | 0.2° | 0.0° |
| NE1 | CD1 | CG | CB | 179.6° | 179.7° |
| NE1 | CE2 | CZ2 | CD2 | 179.9° | 179.4° |
| NE1 | CE2 | CZ2 | CH2 | 180.0° | 179.4° |
| CE2 | NE1 | CD1 | CG | 0.2° | 0.3° |
| NE1 | CE2 | CD2 | CG | 0.1° | 0.5° |
| NE1 | CE2 | CD2 | CE3 | 179.9° | 179.6° |
| CE2 | NE1 | CD1 | HD1 | 179.8° | 179.7° |
| NE1 | CE2 | CZ2 | HZ2 | 0.0° | 0.6° |
| CE2 | CZ2 | CH2 | HZ2 | 180.0° | 179.9° |
| CE2 | CZ2 | CH2 | CZ3 | 0.1° | 0.0° |
| CZ2 | CE2 | CD2 | CG | 179.9° | 180.0° |
| CZ2 | CE2 | CD2 | CE3 | 0.0° | 0.1° |
| CZ2 | CE2 | NE1 | HE1 | 0.0° | 0.3° |
| CE2 | CZ2 | CH2 | HH2 | 179.9° | 179.9° |
| CH2 | CZ2 | CE2 | CD2 | 0.0° | 0.1° |
| CZ2 | CH2 | CZ3 | HH2 | 180.0° | 179.9° |
| CZ2 | CH2 | CZ3 | CE3 | 0.1° | 0.1° |
| CZ2 | CH2 | CZ3 | CP1 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CE2 | 0.2° | 0.3° |
| CD1 | CG | CD2 | CB | 179.8° | 179.7° |
| CD1 | CG | CD2 | CE3 | 179.8° | 179.8° |
| CD1 | CG | CB | CA | 99.4° | 94.7° |
| CD1 | CG | CB | HB3 | 140.6° | 145.3° |
| CD1 | CG | CB | HB2 | 20.6° | 25.3° |
| CG | CD1 | NE1 | HE1 | 179.9° | 179.9° |
| CE2 | CD2 | CG | CE3 | 179.9° | 179.9° |
| CE2 | CD2 | CG | CB | 179.6° | 180.0° |
| CE2 | CD2 | CE3 | CZ3 | 0.1° | 0.0° |
| CE2 | CD2 | CE3 | HE3 | 179.9° | 180.0° |
| CD2 | CE2 | NE1 | HE1 | 180.0° | 179.8° |
| CD2 | CE2 | CZ2 | HZ2 | 179.9° | 180.0° |
| O | C | CA | OXT | 180.0° | 180.0° |
| O | C | CA | N | 136.7° | 20.0° |
| O | C | CA | CB | 15.2° | 100.0° |
| O | C | CA | HA | 103.1° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| CH2 | CZ3 | CE3 | CD2 | 0.0° | 0.1° |
| CH2 | CZ3 | CE3 | CP1 | 180.0° | 179.9° |
| CH2 | CZ3 | CP1 | CP2 | 76.1° | 90.1° |
| CH2 | CZ3 | CE3 | HE3 | 180.0° | 179.9° |
| CZ3 | CH2 | CZ2 | HZ2 | 179.9° | 179.9° |
| CH2 | CZ3 | CP1 | HP11 | 163.9° | 29.9° |
| CH2 | CZ3 | CP1 | HP12 | 43.9° | 149.9° |
| C | CA | CB | CG | 69.1° | 175.0° |
| C | CA | N | CB | 121.2° | 120.0° |
| C | CA | N | HA | 119.6° | 120.0° |
| C | CA | CB | HA | 118.4° | 120.0° |
| C | CA | N | H | 180.0° | 64.0° |
| C | CA | N | H2 | 60.0° | 60.0° |
| C | CA | CB | HB3 | 170.9° | 65.0° |
| C | CA | CB | HB2 | 50.9° | 55.0° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| CG | CD2 | CE3 | CZ3 | 179.9° | 179.9° |
| CD2 | CG | CB | CA | 80.8° | 85.0° |
| CD2 | CG | CB | HB3 | 39.2° | 35.0° |
| CD2 | CG | CB | HB2 | 159.2° | 155.0° |
| CD2 | CG | CD1 | HD1 | 179.8° | 180.0° |
| CG | CD2 | CE3 | HE3 | 0.1° | 0.1° |
| CB | CG | CD2 | CE3 | 0.3° | 0.1° |
| CG | CB | CA | N | 52.8° | 65.0° |
| CG | CB | CA | HB3 | 120.0° | 120.0° |
| CG | CB | CA | HB2 | 120.0° | 120.0° |
| CG | CB | CA | HA | 172.5° | 55.0° |
| CG | CB | HB3 | HB2 | 120.0° | 120.0° |
| CB | CG | CD1 | HD1 | 0.4° | 0.3° |
| CD2 | CE3 | CZ3 | HE3 | 180.0° | 180.0° |
| CD2 | CE3 | CZ3 | CP1 | 180.0° | 180.0° |
| CE3 | CZ3 | CP1 | CP2 | 103.9° | 90.0° |
| CE3 | CZ3 | CH2 | HH2 | 179.9° | 180.0° |
| CE3 | CZ3 | CP1 | HP11 | 16.1° | 150.0° |
| CE3 | CZ3 | CP1 | HP12 | 136.1° | 30.0° |
| CZ3 | CP1 | CP2 | HP11 | 120.0° | 120.0° |
| CZ3 | CP1 | CP2 | HP12 | 120.0° | 120.0° |
| CZ3 | CP1 | CP2 | CP3 | 80.8° | 121.9° |
| CP1 | CZ3 | CE3 | HE3 | 0.0° | 0.0° |
| CP1 | CZ3 | CH2 | HH2 | 0.1° | 0.1° |
| CZ3 | CP1 | HP11 | HP12 | 120.1° | 119.9° |
| CZ3 | CP1 | CP2 | HP2 | 99.2° | 58.1° |
| N | CA | CB | HA | 119.7° | 120.0° |
| N | CA | C | OXT | 43.3° | 160.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | HB3 | 67.2° | 55.0° |
| N | CA | CB | HB2 | 172.8° | 175.0° |
| CB | CA | C | OXT | 164.7° | 80.0° |
| CB | CA | N | H | 58.8° | 176.1° |
| CB | CA | N | H2 | 178.8° | 60.0° |
| CA | CB | HB3 | HB2 | 120.0° | 120.0° |
| CP5 | CP3 | CP2 | CP1 | 35.8° | 174.1° |
| CP5 | CP3 | CP4 | CP2 | 179.9° | 180.0° |
| CP5 | CP3 | CP2 | HP2 | 144.2° | 5.8° |
| CP5 | CP3 | CP4 | HP41 | 180.0° | 95.2° |
| CP5 | CP3 | CP4 | HP42 | 60.0° | 24.7° |
| CP5 | CP3 | CP4 | HP43 | 60.0° | 144.8° |
| CP3 | CP5 | HP52 | HP53 | 120.0° | 120.0° |
| CP3 | CP5 | HP52 | HP51 | 120.0° | 120.0° |
| CP3 | CP5 | HP53 | HP51 | 120.0° | 120.0° |
| CP1 | CP2 | CP3 | CP4 | 144.3° | 5.8° |
| CP1 | CP2 | CP3 | HP2 | 180.0° | 180.0° |
| CP2 | CP1 | HP11 | HP12 | 120.1° | 120.1° |
| CP4 | CP3 | CP2 | HP2 | 35.7° | 174.2° |
| CP3 | CP4 | HP41 | HP42 | 120.0° | 120.0° |
| CP3 | CP4 | HP41 | HP43 | 120.0° | 120.0° |
| CP3 | CP4 | HP42 | HP43 | 120.0° | 120.0° |
| CP4 | CP3 | CP5 | HP52 | 180.0° | 90.0° |
| CP4 | CP3 | CP5 | HP53 | 60.0° | 150.0° |
| CP4 | CP3 | CP5 | HP51 | 60.0° | 30.0° |
| CP3 | CP2 | CP1 | HP11 | 159.3° | 1.9° |
| CP3 | CP2 | CP1 | HP12 | 39.2° | 118.1° |
| CP2 | CP3 | CP4 | HP41 | 0.1° | 84.8° |
| CP2 | CP3 | CP4 | HP42 | 119.9° | 155.3° |
| CP2 | CP3 | CP4 | HP43 | 120.1° | 35.2° |
| CP2 | CP3 | CP5 | HP52 | 0.1° | 89.9° |
| CP2 | CP3 | CP5 | HP53 | 120.1° | 30.0° |
| CP2 | CP3 | CP5 | HP51 | 119.9° | 150.0° |
| OXT | C | CA | HA | 76.9° | 40.0° |
| H | N | CA | HA | 60.4° | 56.1° |
| H2 | N | CA | HA | 59.6° | 180.0° |
| HA | CA | CB | HB3 | 52.5° | 175.0° |
| HA | CA | CB | HB2 | 67.5° | 65.1° |
| HD1 | CD1 | NE1 | HE1 | 0.1° | 0.0° |
| HZ2 | CZ2 | CH2 | HH2 | 0.1° | 0.0° |
| HP11 | CP1 | CP2 | HP2 | 20.7° | 178.1° |
| HP12 | CP1 | CP2 | HP2 | 140.8° | 61.9° |
| HP41 | CP4 | HP42 | HP43 | 120.0° | 120.0° |
| HP52 | CP5 | HP53 | HP51 | 120.0° | 120.0° |
