BJQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.49Å | |
| O | C | doub | 1.21Å | 1.19Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| C | OXT | sing | 1.34Å | 1.32Å | |
| CD2 | CE2 | doub | 1.38Å | 1.39Å | Aromatic |
| CD2 | CG | sing | 1.38Å | 1.39Å | Aromatic |
| CE2 | CZ | sing | 1.38Å | 1.38Å | Aromatic |
| CB | CG | sing | 1.51Å | 1.51Å | |
| CG | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
| OXT | CM | sing | 1.45Å | 1.45Å | |
| CZ | CE1 | doub | 1.38Å | 1.38Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.38Å | Aromatic |
| N | HN2 | sing | 1.01Å | 1.00Å | |
| N | H3 | sing | 1.01Å | 1.00Å | |
| N | HN1 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HBC2 | sing | 1.09Å | 1.10Å | |
| CB | HBC1 | sing | 1.09Å | 1.10Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| CM | HMC3 | sing | 1.09Å | 1.10Å | |
| CM | HMC2 | sing | 1.09Å | 1.10Å | |
| CM | HMC1 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | C | 107.9° | 109.5° |
| N | CA | CB | 111.8° | 109.5° |
| CA | N | HN2 | 109.5° | 109.5° |
| CA | N | H3 | 109.5° | 109.5° |
| CA | N | HN1 | 109.4° | 109.4° |
| N | CA | HA | 109.5° | 109.5° |
| O | C | CA | 124.4° | 120.0° |
| O | C | OXT | 124.7° | 120.0° |
| C | CA | CB | 109.5° | 109.4° |
| CA | C | OXT | 111.0° | 120.0° |
| C | CA | HA | 109.2° | 109.5° |
| CA | CB | CG | 114.4° | 109.4° |
| CB | CA | HA | 108.9° | 109.4° |
| CA | CB | HBC2 | 108.2° | 109.5° |
| CA | CB | HBC1 | 108.2° | 109.5° |
| C | OXT | CM | 115.6° | 117.0° |
| CE2 | CD2 | CG | 120.9° | 120.0° |
| CD2 | CE2 | CZ | 120.2° | 120.0° |
| CE2 | CD2 | HD2 | 119.6° | 120.0° |
| CD2 | CE2 | HE2 | 119.9° | 120.0° |
| CD2 | CG | CB | 121.0° | 119.9° |
| CD2 | CG | CD1 | 118.1° | 120.0° |
| CG | CD2 | HD2 | 119.5° | 120.0° |
| CE2 | CZ | CE1 | 119.6° | 120.0° |
| CZ | CE2 | HE2 | 119.9° | 120.0° |
| CE2 | CZ | HZ | 120.2° | 120.0° |
| CB | CG | CD1 | 120.8° | 120.1° |
| CG | CB | HBC2 | 108.2° | 109.4° |
| CG | CB | HBC1 | 108.2° | 109.5° |
| CG | CD1 | CE1 | 120.9° | 120.0° |
| CG | CD1 | HD1 | 119.5° | 119.9° |
| OXT | CM | HMC3 | 109.5° | 109.5° |
| OXT | CM | HMC2 | 109.4° | 109.5° |
| OXT | CM | HMC1 | 109.4° | 109.5° |
| CZ | CE1 | CD1 | 120.2° | 120.0° |
| CZ | CE1 | HE1 | 119.9° | 120.0° |
| CE1 | CZ | HZ | 120.2° | 119.9° |
| CE1 | CD1 | HD1 | 119.5° | 120.0° |
| CD1 | CE1 | HE1 | 119.9° | 120.0° |
| HN2 | N | H3 | 109.4° | 109.5° |
| HN2 | N | HN1 | 109.5° | 109.5° |
| H3 | N | HN1 | 109.5° | 109.5° |
| HBC2 | CB | HBC1 | 109.5° | 109.5° |
| HMC3 | CM | HMC2 | 109.5° | 109.4° |
| HMC3 | CM | HMC1 | 109.5° | 109.5° |
| HMC2 | CM | HMC1 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | C | O | 13.8° | 20.0° |
| N | CA | C | CB | 121.9° | 120.0° |
| N | CA | C | HA | 118.9° | 120.0° |
| N | CA | CB | HA | 121.1° | 120.0° |
| N | CA | C | OXT | 166.4° | 160.0° |
| N | CA | CB | CG | 51.5° | 65.0° |
| CA | N | HN2 | H3 | 120.0° | 120.0° |
| CA | N | HN2 | HN1 | 120.0° | 120.0° |
| CA | N | H3 | HN1 | 120.0° | 120.0° |
| N | CA | CB | HBC2 | 172.2° | 55.0° |
| N | CA | CB | HBC1 | 69.2° | 175.0° |
| O | C | CA | OXT | 179.9° | 180.0° |
| O | C | CA | CB | 108.1° | 100.0° |
| O | C | OXT | CM | 1.7° | 0.0° |
| O | C | CA | HA | 132.7° | 140.0° |
| C | CA | CB | HA | 119.3° | 120.0° |
| C | CA | CB | CG | 68.1° | 175.0° |
| CA | C | OXT | CM | 178.2° | 180.0° |
| C | CA | N | HN2 | 180.0° | 60.0° |
| C | CA | N | H3 | 60.0° | 180.0° |
| C | CA | N | HN1 | 60.0° | 60.0° |
| C | CA | CB | HBC2 | 52.6° | 65.0° |
| C | CA | CB | HBC1 | 171.2° | 55.0° |
| CB | CA | C | OXT | 71.8° | 80.0° |
| CA | CB | CG | CD2 | 97.1° | 90.3° |
| CA | CB | CG | HBC2 | 120.7° | 120.0° |
| CA | CB | CG | HBC1 | 120.7° | 120.1° |
| CA | CB | CG | CD1 | 81.7° | 90.0° |
| CB | CA | N | HN2 | 59.5° | 60.0° |
| CB | CA | N | H3 | 179.5° | 60.0° |
| CB | CA | N | HN1 | 60.5° | 180.0° |
| CA | CB | HBC2 | HBC1 | 117.8° | 120.1° |
| OXT | C | CA | HA | 47.4° | 40.0° |
| C | OXT | CM | HMC3 | 180.0° | 60.0° |
| C | OXT | CM | HMC2 | 60.0° | 60.0° |
| C | OXT | CM | HMC1 | 60.0° | 180.0° |
| CE2 | CD2 | CG | HD2 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 180.0° |
| CE2 | CD2 | CG | CB | 179.1° | 180.0° |
| CE2 | CD2 | CG | CD1 | 0.3° | 0.3° |
| CD2 | CE2 | CZ | CE1 | 1.1° | 0.3° |
| CD2 | CE2 | CZ | HZ | 178.9° | 180.0° |
| CG | CD2 | CE2 | CZ | 0.5° | 0.0° |
| CD2 | CG | CB | CD1 | 178.8° | 179.7° |
| CD2 | CG | CD1 | CE1 | 0.5° | 0.3° |
| CD2 | CG | CB | HBC2 | 142.2° | 149.7° |
| CD2 | CG | CB | HBC1 | 23.6° | 29.7° |
| CD2 | CG | CD1 | HD1 | 179.5° | 179.7° |
| CG | CD2 | CE2 | HE2 | 179.5° | 180.0° |
| CE2 | CZ | CE1 | HZ | 180.0° | 179.8° |
| CE2 | CZ | CE1 | CD1 | 0.9° | 0.3° |
| CZ | CE2 | CD2 | HD2 | 179.5° | 180.0° |
| CE2 | CZ | CE1 | HE1 | 179.2° | 179.7° |
| CB | CG | CD1 | CE1 | 179.3° | 180.0° |
| CG | CB | CA | HA | 172.6° | 55.0° |
| CG | CB | HBC2 | HBC1 | 117.8° | 120.0° |
| CB | CG | CD1 | HD1 | 0.7° | 0.0° |
| CB | CG | CD2 | HD2 | 0.9° | 0.0° |
| CG | CD1 | CE1 | CZ | 0.1° | 0.0° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG | CB | HBC2 | 39.0° | 30.0° |
| CD1 | CG | CB | HBC1 | 157.6° | 150.0° |
| CD1 | CG | CD2 | HD2 | 179.7° | 179.7° |
| CG | CD1 | CE1 | HE1 | 179.9° | 180.0° |
| OXT | CM | HMC3 | HMC2 | 120.0° | 120.0° |
| OXT | CM | HMC3 | HMC1 | 120.0° | 120.1° |
| OXT | CM | HMC2 | HMC1 | 119.9° | 120.1° |
| CZ | CE1 | CD1 | HE1 | 180.0° | 180.0° |
| CZ | CE1 | CD1 | HD1 | 179.9° | 180.0° |
| CE1 | CZ | CE2 | HE2 | 178.9° | 179.7° |
| CD1 | CE1 | CZ | HZ | 179.2° | 180.0° |
| HN2 | N | H3 | HN1 | 120.0° | 120.0° |
| HN2 | N | CA | HA | 61.3° | 180.0° |
| H3 | N | CA | HA | 58.7° | 60.0° |
| HN1 | N | CA | HA | 178.7° | 60.0° |
| HA | CA | CB | HBC2 | 66.7° | 175.0° |
| HA | CA | CB | HBC1 | 51.9° | 65.0° |
| HD1 | CD1 | CE1 | HE1 | 0.1° | 0.0° |
| HD2 | CD2 | CE2 | HE2 | 0.5° | 0.1° |
| HE1 | CE1 | CZ | HZ | 0.8° | 0.0° |
| HE2 | CE2 | CZ | HZ | 1.0° | 0.1° |
| HMC3 | CM | HMC2 | HMC1 | 120.0° | 120.0° |
