A1AZ2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NE2 | CE1 | doub | 1.30Å | 1.34Å | Aromatic |
| NE2 | CD2 | sing | 1.34Å | 1.32Å | Aromatic |
| CE1 | ND1 | sing | 1.35Å | 1.35Å | Aromatic |
| CD2 | CG | doub | 1.35Å | 1.37Å | Aromatic |
| ND1 | CM | sing | 1.47Å | 1.45Å | |
| ND1 | CG | sing | 1.37Å | 1.33Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.60Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| CB | CA | sing | 1.53Å | 1.52Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| C | O | doub | 1.21Å | 1.21Å | |
| C | OXT | sing | 1.34Å | 1.52Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H1 | 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 | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CM | HM2 | sing | 1.09Å | 1.10Å | |
| CM | HM1 | sing | 1.09Å | 1.10Å | |
| CM | HM3 | 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) |
| CE1 | NE2 | CD2 | 108.0° | 109.2° |
| NE2 | CE1 | ND1 | 108.2° | 108.7° |
| NE2 | CE1 | HE1 | 125.9° | 125.7° |
| NE2 | CD2 | CG | 108.4° | 108.0° |
| NE2 | CD2 | HD2 | 125.8° | 125.9° |
| CE1 | ND1 | CM | 124.2° | 126.4° |
| CE1 | ND1 | CG | 108.1° | 107.2° |
| ND1 | CE1 | HE1 | 125.9° | 125.6° |
| CD2 | CG | ND1 | 107.4° | 106.8° |
| CD2 | CG | CB | 125.5° | 126.6° |
| CG | CD2 | HD2 | 125.8° | 126.0° |
| CM | ND1 | CG | 127.7° | 126.4° |
| ND1 | CM | HM2 | 109.5° | 109.5° |
| ND1 | CM | HM1 | 109.5° | 109.5° |
| ND1 | CM | HM3 | 109.5° | 109.5° |
| ND1 | CG | CB | 127.1° | 126.6° |
| CG | CB | CA | 110.5° | 109.5° |
| CG | CB | HB3 | 109.2° | 109.4° |
| CG | CB | HB2 | 109.2° | 109.5° |
| N | CA | CB | 108.4° | 109.5° |
| N | CA | C | 107.8° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H1 | 109.5° | 111.0° |
| N | CA | HA | 109.6° | 109.4° |
| CB | CA | C | 113.3° | 109.5° |
| CB | CA | HA | 109.0° | 109.5° |
| CA | CB | HB3 | 109.2° | 109.5° |
| CA | CB | HB2 | 109.2° | 109.5° |
| CA | C | O | 119.0° | 120.0° |
| CA | C | OXT | 121.8° | 120.0° |
| C | CA | HA | 108.7° | 109.5° |
| O | C | OXT | 119.2° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H | N | H1 | 109.4° | 110.9° |
| HB3 | CB | HB2 | 109.5° | 109.5° |
| HM2 | CM | HM1 | 109.5° | 109.4° |
| HM2 | CM | HM3 | 109.5° | 109.5° |
| HM1 | CM | HM3 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NE2 | CE1 | ND1 | HE1 | 180.0° | 179.8° |
| CE1 | NE2 | CD2 | CG | 0.0° | 0.1° |
| NE2 | CE1 | ND1 | CM | 179.9° | 179.9° |
| NE2 | CE1 | ND1 | CG | 0.1° | 0.2° |
| CE1 | NE2 | CD2 | HD2 | 180.0° | 179.8° |
| CD2 | NE2 | CE1 | ND1 | 0.1° | 0.0° |
| NE2 | CD2 | CG | HD2 | 180.0° | 179.9° |
| NE2 | CD2 | CG | ND1 | 0.0° | 0.2° |
| NE2 | CD2 | CG | CB | 179.8° | 180.0° |
| CD2 | NE2 | CE1 | HE1 | 179.9° | 179.8° |
| CE1 | ND1 | CG | CD2 | 0.0° | 0.2° |
| CE1 | ND1 | CM | CG | 179.9° | 180.0° |
| CE1 | ND1 | CG | CB | 179.8° | 180.0° |
| CE1 | ND1 | CM | HM2 | 180.0° | 90.0° |
| CE1 | ND1 | CM | HM1 | 60.0° | 29.9° |
| CE1 | ND1 | CM | HM3 | 60.0° | 150.0° |
| CD2 | CG | ND1 | CM | 179.9° | 179.8° |
| CD2 | CG | ND1 | CB | 179.8° | 179.8° |
| CD2 | CG | CB | CA | 28.9° | 84.7° |
| CD2 | CG | CB | HB3 | 149.0° | 35.3° |
| CD2 | CG | CB | HB2 | 91.3° | 155.3° |
| CM | ND1 | CG | CB | 0.1° | 0.1° |
| CM | ND1 | CE1 | HE1 | 0.2° | 0.1° |
| ND1 | CM | HM2 | HM1 | 120.0° | 120.0° |
| ND1 | CM | HM2 | HM3 | 120.0° | 120.0° |
| ND1 | CM | HM1 | HM3 | 120.0° | 120.0° |
| ND1 | CG | CB | CA | 150.9° | 95.0° |
| ND1 | CG | CB | HB3 | 30.7° | 145.0° |
| ND1 | CG | CB | HB2 | 89.0° | 25.0° |
| ND1 | CG | CD2 | HD2 | 180.0° | 179.7° |
| CG | ND1 | CE1 | HE1 | 179.9° | 180.0° |
| CG | ND1 | CM | HM2 | 0.1° | 90.0° |
| CG | ND1 | CM | HM1 | 119.9° | 150.0° |
| CG | ND1 | CM | HM3 | 120.1° | 30.0° |
| CG | CB | CA | N | 55.0° | 65.0° |
| CG | CB | CA | HB3 | 120.2° | 120.0° |
| CG | CB | CA | HB2 | 120.2° | 120.0° |
| CG | CB | CA | C | 174.6° | 175.0° |
| CG | CB | CA | HA | 64.2° | 54.9° |
| CG | CB | HB3 | HB2 | 119.5° | 120.0° |
| CB | CG | CD2 | HD2 | 0.2° | 0.1° |
| N | CA | CB | C | 119.6° | 120.0° |
| N | CA | CB | HA | 119.2° | 119.9° |
| N | CA | C | HA | 118.7° | 119.9° |
| N | CA | C | O | 28.0° | 20.0° |
| N | CA | C | OXT | 150.5° | 160.0° |
| CA | N | H | H1 | 120.0° | 123.9° |
| N | CA | CB | HB3 | 65.2° | 175.0° |
| N | CA | CB | HB2 | 175.2° | 55.0° |
| CB | CA | C | HA | 121.4° | 120.1° |
| CB | CA | C | O | 92.0° | 100.0° |
| CB | CA | C | OXT | 89.6° | 80.0° |
| CB | CA | N | H | 180.0° | 63.9° |
| CB | CA | N | H1 | 60.0° | 60.0° |
| CA | CB | HB3 | HB2 | 119.5° | 120.0° |
| CA | C | O | OXT | 178.5° | 180.0° |
| C | CA | N | H | 57.0° | 176.1° |
| C | CA | N | H1 | 177.0° | 60.0° |
| C | CA | CB | HB3 | 54.4° | 55.0° |
| C | CA | CB | HB2 | 65.3° | 65.0° |
| CA | C | OXT | HXT | 178.5° | 180.0° |
| O | C | CA | HA | 146.7° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | HA | 31.8° | 40.1° |
| H | N | CA | HA | 61.1° | 56.1° |
| H1 | N | CA | HA | 58.9° | 180.0° |
| HA | CA | CB | HB3 | 175.6° | 65.0° |
| HA | CA | CB | HB2 | 55.9° | 175.0° |
| HM2 | CM | HM1 | HM3 | 120.0° | 120.0° |
