AZY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C | sing | 1.34Å | 1.25Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | HN1 | sing | 1.01Å | 1.00Å | |
| N | HN2 | sing | 1.01Å | 1.00Å | |
| CB | CG | sing | 1.51Å | 1.53Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CG | CD1 | sing | 1.39Å | 1.39Å | Aromatic |
| CG | CD2 | doub | 1.36Å | 1.39Å | Aromatic |
| CD2 | CE2 | sing | 1.42Å | 1.39Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CD1 | CE1 | doub | 1.38Å | 1.39Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CE1 | CZ | sing | 1.38Å | 1.39Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CZ | OH | sing | 1.36Å | 1.36Å | |
| CZ | CE2 | doub | 1.47Å | 1.39Å | Aromatic |
| OH | HOH | sing | 0.97Å | 0.95Å | |
| CE2 | N1 | sing | 1.32Å | 1.33Å | |
| N1 | N2 | doub | 1.12Å | 1.12Å | |
| N2 | N3 | doub | 1.12Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | OXT | HXT | 109.5° | 117.1° |
| OXT | C | O | 126.6° | 120.0° |
| OXT | C | CA | 116.2° | 120.0° |
| O | C | CA | 117.2° | 120.0° |
| C | CA | N | 110.4° | 109.5° |
| C | CA | CB | 108.4° | 109.5° |
| C | CA | HA | 109.9° | 109.4° |
| N | CA | CB | 110.4° | 109.5° |
| N | CA | HA | 107.9° | 109.5° |
| CA | N | HN1 | 109.5° | 111.0° |
| CA | N | HN2 | 109.5° | 111.1° |
| CB | CA | HA | 109.9° | 109.5° |
| CA | CB | CG | 110.7° | 109.4° |
| CA | CB | HB1 | 109.1° | 109.5° |
| CA | CB | HB2 | 108.8° | 109.5° |
| HN1 | N | HN2 | 109.5° | 110.9° |
| CG | CB | HB1 | 109.1° | 109.5° |
| CG | CB | HB2 | 108.8° | 109.5° |
| CB | CG | CD1 | 120.3° | 119.4° |
| CB | CG | CD2 | 119.4° | 119.4° |
| HB1 | CB | HB2 | 110.4° | 109.5° |
| CD1 | CG | CD2 | 120.2° | 121.3° |
| CG | CD1 | CE1 | 119.5° | 121.4° |
| CG | CD1 | HD1 | 120.3° | 119.3° |
| CG | CD2 | CE2 | 120.4° | 119.8° |
| CG | CD2 | HD2 | 119.8° | 120.1° |
| CE2 | CD2 | HD2 | 119.8° | 120.1° |
| CD2 | CE2 | CZ | 119.4° | 118.7° |
| CD2 | CE2 | N1 | 119.2° | 120.7° |
| CE1 | CD1 | HD1 | 120.3° | 119.2° |
| CD1 | CE1 | CZ | 120.2° | 120.0° |
| CD1 | CE1 | HE1 | 119.9° | 120.0° |
| CZ | CE1 | HE1 | 119.9° | 120.0° |
| CE1 | CZ | OH | 120.2° | 120.6° |
| CE1 | CZ | CE2 | 120.3° | 118.8° |
| OH | CZ | CE2 | 119.5° | 120.6° |
| CZ | OH | HOH | 109.5° | 114.0° |
| CZ | CE2 | N1 | 121.4° | 120.7° |
| CE2 | N1 | N2 | 122.5° | 120.0° |
| N1 | N2 | N3 | 179.4° | 180.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | O | CA | 179.4° | 180.0° |
| OXT | C | CA | N | 153.1° | 160.0° |
| OXT | C | CA | CB | 85.9° | 80.0° |
| OXT | C | CA | HA | 34.2° | 40.0° |
| HXT | OXT | C | O | 0.0° | 0.1° |
| HXT | OXT | C | CA | 179.4° | 180.0° |
| O | C | CA | N | 27.4° | 20.0° |
| O | C | CA | CB | 93.6° | 100.0° |
| O | C | CA | HA | 146.3° | 140.0° |
| C | CA | N | CB | 119.8° | 120.0° |
| C | CA | N | HA | 120.1° | 120.0° |
| C | CA | CB | HA | 120.1° | 119.9° |
| C | CA | N | HN1 | 90.3° | 63.9° |
| C | CA | N | HN2 | 149.7° | 60.0° |
| C | CA | CB | CG | 173.0° | 175.0° |
| C | CA | CB | HB1 | 67.0° | 65.0° |
| C | CA | CB | HB2 | 53.5° | 55.0° |
| N | CA | CB | HA | 118.9° | 120.1° |
| CA | N | HN1 | HN2 | 120.0° | 124.0° |
| N | CA | CB | CG | 66.0° | 65.0° |
| N | CA | CB | HB1 | 53.9° | 55.0° |
| N | CA | CB | HB2 | 174.5° | 175.0° |
| CB | CA | N | HN1 | 29.6° | 176.1° |
| CB | CA | N | HN2 | 90.5° | 60.0° |
| CA | CB | CG | HB1 | 120.0° | 120.0° |
| CA | CB | CG | HB2 | 119.5° | 120.0° |
| CA | CB | HB1 | HB2 | 119.5° | 120.0° |
| CA | CB | CG | CD1 | 110.7° | 90.0° |
| CA | CB | CG | CD2 | 66.1° | 89.7° |
| HA | CA | N | HN1 | 149.7° | 56.0° |
| HA | CA | N | HN2 | 29.6° | 180.0° |
| HA | CA | CB | CG | 52.9° | 55.1° |
| HA | CA | CB | HB1 | 172.9° | 175.0° |
| HA | CA | CB | HB2 | 66.6° | 64.9° |
| CG | CB | HB1 | HB2 | 119.5° | 120.0° |
| CB | CG | CD1 | CD2 | 176.8° | 179.7° |
| CB | CG | CD2 | CE2 | 176.0° | 180.0° |
| CB | CG | CD2 | HD2 | 4.0° | 0.0° |
| CB | CG | CD1 | CE1 | 175.9° | 180.0° |
| CB | CG | CD1 | HD1 | 4.0° | 0.0° |
| HB1 | CB | CG | CD1 | 9.3° | 30.0° |
| HB1 | CB | CG | CD2 | 173.9° | 150.3° |
| HB2 | CB | CG | CD1 | 129.8° | 150.0° |
| HB2 | CB | CG | CD2 | 53.4° | 30.2° |
| CD1 | CG | CD2 | CE2 | 0.8° | 0.3° |
| CD1 | CG | CD2 | HD2 | 179.2° | 179.8° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CG | CD1 | CE1 | CZ | 0.1° | 0.0° |
| CG | CD1 | CE1 | HE1 | 179.9° | 180.0° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CD2 | CG | CD1 | CE1 | 0.8° | 0.3° |
| CD2 | CG | CD1 | HD1 | 179.2° | 179.7° |
| CG | CD2 | CE2 | CZ | 0.0° | 0.1° |
| CG | CD2 | CE2 | N1 | 179.3° | 180.0° |
| CD2 | CE2 | CZ | CE1 | 0.6° | 0.2° |
| CD2 | CE2 | CZ | OH | 177.2° | 180.0° |
| CD2 | CE2 | CZ | N1 | 179.2° | 180.0° |
| CD2 | CE2 | N1 | N2 | 179.6° | 0.0° |
| HD2 | CD2 | CE2 | CZ | 179.9° | 180.0° |
| HD2 | CD2 | CE2 | N1 | 0.7° | 0.0° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 179.9° |
| CD1 | CE1 | CZ | OH | 177.2° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.6° | 0.2° |
| HD1 | CD1 | CE1 | CZ | 179.9° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 0.1° | 0.0° |
| CE1 | CZ | OH | CE2 | 177.8° | 179.8° |
| CE1 | CZ | OH | HOH | 29.9° | 90.0° |
| CE1 | CZ | CE2 | N1 | 178.6° | 179.8° |
| HE1 | CE1 | CZ | OH | 2.8° | 0.0° |
| HE1 | CE1 | CZ | CE2 | 179.4° | 179.8° |
| OH | CZ | CE2 | N1 | 3.6° | 0.0° |
| CE2 | CZ | OH | HOH | 147.9° | 90.2° |
| CZ | CE2 | N1 | N2 | 1.2° | 180.0° |
| CE2 | N1 | N2 | N3 | 152.6° | 175.8° |
