A1BX4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CE | CD | sing | 1.53Å | 1.52Å | |
| NZ | CE | sing | 1.47Å | 1.45Å | |
| O05 | NZ | sing | 1.46Å | 1.41Å | |
| CD | CG | sing | 1.53Å | 1.52Å | |
| CB | CG | sing | 1.53Å | 1.52Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| N | CA | sing | 1.47Å | 1.45Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| O | C | doub | 1.21Å | 1.27Å | |
| OXT | C | sing | 1.34Å | 1.26Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | sing | 1.09Å | 1.10Å | |
| CE | HE2 | sing | 1.09Å | 1.10Å | |
| CE | HE3 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| NZ | HZ1 | sing | 1.01Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| O05 | H051 | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CD | CE | NZ | 108.1° | 109.5° |
| CE | CD | CG | 113.0° | 109.4° |
| CE | CD | HD2 | 108.6° | 109.5° |
| CE | CD | HD3 | 108.6° | 109.5° |
| CD | CE | HE2 | 109.8° | 109.5° |
| CD | CE | HE3 | 109.8° | 109.5° |
| CE | NZ | O05 | 109.2° | 111.0° |
| NZ | CE | HE2 | 109.8° | 109.5° |
| NZ | CE | HE3 | 109.8° | 109.5° |
| CE | NZ | HZ1 | 109.5° | 111.0° |
| O05 | NZ | HZ1 | 109.6° | 111.0° |
| NZ | O05 | H051 | 109.5° | 114.0° |
| CD | CG | CB | 108.9° | 109.5° |
| CD | CG | HG3 | 109.6° | 109.5° |
| CD | CG | HG2 | 109.6° | 109.5° |
| CG | CD | HD2 | 108.6° | 109.5° |
| CG | CD | HD3 | 108.6° | 109.5° |
| CG | CB | CA | 115.5° | 109.5° |
| CB | CG | HG3 | 109.6° | 109.4° |
| CB | CG | HG2 | 109.6° | 109.5° |
| CG | CB | HB2 | 107.9° | 109.4° |
| CG | CB | HB3 | 107.9° | 109.5° |
| CB | CA | N | 112.1° | 109.5° |
| CB | CA | C | 106.3° | 109.5° |
| CA | CB | HB2 | 107.9° | 109.5° |
| CA | CB | HB3 | 107.9° | 109.4° |
| CB | CA | HA | 109.0° | 109.5° |
| N | CA | C | 110.5° | 109.5° |
| N | CA | HA | 110.0° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| CA | C | O | 120.8° | 120.0° |
| CA | C | OXT | 118.5° | 120.0° |
| C | CA | HA | 109.0° | 109.4° |
| O | C | OXT | 120.7° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| HG3 | CG | HG2 | 109.5° | 109.5° |
| HD2 | CD | HD3 | 109.5° | 109.5° |
| HE2 | CE | HE3 | 109.5° | 109.4° |
| HB2 | CB | HB3 | 109.5° | 109.4° |
| H | N | H2 | 109.5° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CD | CE | NZ | HE2 | 119.8° | 120.1° |
| CD | CE | NZ | HE3 | 119.8° | 120.0° |
| CD | CE | NZ | O05 | 140.5° | 180.0° |
| CE | CD | CG | HD2 | 120.5° | 120.0° |
| CE | CD | CG | HD3 | 120.5° | 120.0° |
| CE | CD | CG | CB | 154.8° | 180.0° |
| CE | CD | CG | HG3 | 85.3° | 60.1° |
| CE | CD | CG | HG2 | 34.9° | 60.0° |
| CE | CD | HD2 | HD3 | 118.4° | 120.0° |
| CD | CE | HE2 | HE3 | 120.6° | 120.0° |
| CD | CE | NZ | HZ1 | 20.5° | 56.0° |
| CE | NZ | O05 | HZ1 | 119.9° | 124.0° |
| NZ | CE | CD | CG | 132.3° | 180.0° |
| NZ | CE | CD | HD2 | 11.8° | 60.0° |
| NZ | CE | CD | HD3 | 107.2° | 60.0° |
| NZ | CE | HE2 | HE3 | 120.6° | 120.0° |
| CE | NZ | O05 | H051 | 180.0° | 180.0° |
| O05 | NZ | CE | HE2 | 99.7° | 59.9° |
| O05 | NZ | CE | HE3 | 20.7° | 60.0° |
| CD | CG | CB | HG3 | 119.9° | 120.0° |
| CD | CG | CB | HG2 | 119.9° | 120.1° |
| CD | CG | CB | CA | 166.3° | 180.0° |
| CD | CG | HG3 | HG2 | 120.3° | 120.1° |
| CG | CD | HD2 | HD3 | 118.4° | 120.0° |
| CG | CD | CE | HE2 | 12.5° | 60.0° |
| CG | CD | CE | HE3 | 107.9° | 60.0° |
| CD | CG | CB | HB2 | 45.4° | 60.0° |
| CD | CG | CB | HB3 | 72.8° | 59.9° |
| CG | CB | CA | HB2 | 120.9° | 120.0° |
| CG | CB | CA | HB3 | 120.9° | 120.1° |
| CG | CB | CA | N | 21.4° | 65.0° |
| CG | CB | CA | C | 142.2° | 174.9° |
| CB | CG | HG3 | HG2 | 120.2° | 120.0° |
| CB | CG | CD | HD2 | 34.3° | 60.0° |
| CB | CG | CD | HD3 | 84.7° | 60.0° |
| CG | CB | HB2 | HB3 | 117.2° | 120.0° |
| CG | CB | CA | HA | 100.5° | 55.0° |
| CB | CA | N | C | 118.3° | 120.0° |
| CB | CA | N | HA | 121.4° | 120.0° |
| CB | CA | C | HA | 117.3° | 120.0° |
| CB | CA | C | O | 110.1° | 100.0° |
| CB | CA | C | OXT | 68.5° | 80.0° |
| CA | CB | CG | HG3 | 73.8° | 60.0° |
| CA | CB | CG | HG2 | 46.4° | 60.0° |
| CA | CB | HB2 | HB3 | 117.2° | 119.9° |
| CB | CA | N | H | 180.0° | 176.0° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| N | CA | C | HA | 120.9° | 120.0° |
| N | CA | C | O | 11.7° | 20.0° |
| N | CA | C | OXT | 169.7° | 160.0° |
| N | CA | CB | HB2 | 142.3° | 175.0° |
| N | CA | CB | HB3 | 99.5° | 55.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| CA | C | O | OXT | 178.6° | 180.0° |
| C | CA | CB | HB2 | 96.9° | 54.9° |
| C | CA | CB | HB3 | 21.3° | 65.0° |
| C | CA | N | H | 61.7° | 64.0° |
| C | CA | N | H2 | 58.3° | 60.1° |
| CA | C | OXT | HXT | 178.7° | 180.0° |
| O | C | CA | HA | 132.6° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | HA | 48.7° | 40.0° |
| HG3 | CG | CD | HD2 | 154.2° | 59.9° |
| HG3 | CG | CD | HD3 | 35.2° | 179.9° |
| HG3 | CG | CB | HB2 | 165.4° | 180.0° |
| HG3 | CG | CB | HB3 | 47.1° | 60.0° |
| HG2 | CG | CD | HD2 | 85.6° | 180.0° |
| HG2 | CG | CD | HD3 | 155.4° | 60.0° |
| HG2 | CG | CB | HB2 | 74.5° | 60.0° |
| HG2 | CG | CB | HB3 | 167.3° | 180.0° |
| HD2 | CD | CE | HE2 | 108.0° | 180.0° |
| HD2 | CD | CE | HE3 | 131.6° | 60.0° |
| HD3 | CD | CE | HE2 | 133.0° | 60.0° |
| HD3 | CD | CE | HE3 | 12.6° | 180.0° |
| HE2 | CE | NZ | HZ1 | 140.3° | 176.1° |
| HE3 | CE | NZ | HZ1 | 99.3° | 64.0° |
| HB2 | CB | CA | HA | 20.4° | 65.0° |
| HB3 | CB | CA | HA | 138.6° | 175.1° |
| HA | CA | N | H | 58.6° | 56.0° |
| HA | CA | N | H2 | 178.6° | 180.0° |
| HZ1 | NZ | O05 | H051 | 60.0° | 56.0° |
