AJE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.44Å | |
| CA | CG | sing | 1.54Å | 1.52Å | |
| CA | CB | sing | 1.55Å | 1.50Å | |
| CG | NG | sing | 1.47Å | 1.45Å | |
| NG | CD | sing | 1.48Å | 1.47Å | |
| NG | C1 | sing | 1.35Å | 1.35Å | |
| CD | CB | sing | 1.55Å | 1.54Å | |
| CB | C | sing | 1.51Å | 1.54Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C4 | O41 | sing | 1.34Å | 1.25Å | |
| C4 | O42 | doub | 1.21Å | 1.25Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CG | HG1C | sing | 1.09Å | 1.10Å | |
| CG | HG2C | sing | 1.09Å | 1.10Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CD | HD1C | sing | 1.09Å | 1.10Å | |
| CD | HD2C | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| O41 | H41 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | CG | 113.9° | 110.4° |
| N | CA | CB | 109.7° | 110.3° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 108.6° | 110.3° |
| CG | CA | CB | 109.2° | 105.0° |
| CA | CG | NG | 104.0° | 107.1° |
| CG | CA | HA | 107.5° | 110.3° |
| CA | CG | HG1C | 110.8° | 109.9° |
| CA | CG | HG2C | 110.8° | 109.9° |
| CA | CB | CD | 104.3° | 102.9° |
| CA | CB | C | 107.2° | 110.8° |
| CB | CA | HA | 107.8° | 110.4° |
| CA | CB | HB | 109.5° | 110.8° |
| CG | NG | CD | 113.0° | 105.9° |
| CG | NG | C1 | 119.0° | 127.1° |
| NG | CG | HG1C | 110.8° | 109.9° |
| NG | CG | HG2C | 110.8° | 109.9° |
| CD | NG | C1 | 128.0° | 127.0° |
| NG | CD | CB | 105.2° | 103.2° |
| NG | CD | HD1C | 110.5° | 110.6° |
| NG | CD | HD2C | 110.5° | 110.7° |
| NG | C1 | O1 | 120.8° | 120.0° |
| NG | C1 | C2 | 120.5° | 120.0° |
| CD | CB | C | 117.7° | 110.7° |
| CD | CB | HB | 108.9° | 110.7° |
| CB | CD | HD1C | 110.5° | 110.6° |
| CB | CD | HD2C | 110.5° | 110.7° |
| CB | C | O | 121.0° | 119.9° |
| CB | C | OXT | 106.6° | 120.0° |
| C | CB | HB | 108.9° | 110.7° |
| O | C | OXT | 122.8° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| O1 | C1 | C2 | 118.7° | 120.0° |
| C1 | C2 | C3 | 113.8° | 109.5° |
| C1 | C2 | H21C | 108.4° | 109.5° |
| C1 | C2 | H22C | 108.4° | 109.4° |
| C2 | C3 | C4 | 117.3° | 109.5° |
| C3 | C2 | H21C | 108.3° | 109.5° |
| C3 | C2 | H22C | 108.3° | 109.5° |
| C2 | C3 | H31C | 107.5° | 109.5° |
| C2 | C3 | H32C | 107.5° | 109.5° |
| C3 | C4 | O41 | 118.3° | 120.0° |
| C3 | C4 | O42 | 120.6° | 120.0° |
| C4 | C3 | H31C | 107.5° | 109.5° |
| C4 | C3 | H32C | 107.5° | 109.4° |
| O41 | C4 | O42 | 121.1° | 120.0° |
| C4 | O41 | H41 | 109.5° | 117.0° |
| H | N | H2 | 109.4° | 111.1° |
| HG1C | CG | HG2C | 109.5° | 110.1° |
| HD1C | CD | HD2C | 109.5° | 110.7° |
| H21C | C2 | H22C | 109.5° | 109.4° |
| H31C | C3 | H32C | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | CG | CB | 123.1° | 118.9° |
| N | CA | CG | HA | 120.3° | 122.1° |
| N | CA | CB | HA | 118.0° | 122.2° |
| N | CA | CG | NG | 137.8° | 117.6° |
| N | CA | CB | CD | 146.3° | 140.7° |
| N | CA | CB | C | 88.1° | 100.9° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CG | HG1C | 103.1° | 123.1° |
| N | CA | CG | HG2C | 18.7° | 1.7° |
| N | CA | CB | HB | 29.9° | 22.4° |
| CG | CA | CB | HA | 116.4° | 118.9° |
| CA | CG | NG | HG1C | 119.2° | 119.4° |
| CA | CG | NG | HG2C | 119.1° | 119.3° |
| CA | CG | NG | CD | 2.3° | 25.4° |
| CA | CG | NG | C1 | 178.0° | 154.6° |
| CG | CA | CB | CD | 20.8° | 21.8° |
| CG | CA | CB | C | 146.3° | 140.2° |
| CG | CA | N | H | 180.0° | 61.4° |
| CG | CA | N | H2 | 60.0° | 174.6° |
| CA | CG | HG1C | HG2C | 122.5° | 121.2° |
| CG | CA | CB | HB | 95.6° | 96.5° |
| CB | CA | CG | NG | 14.8° | 1.3° |
| CA | CB | CD | NG | 18.6° | 37.3° |
| CA | CB | CD | C | 118.6° | 118.4° |
| CA | CB | CD | HB | 116.8° | 118.4° |
| CA | CB | C | HB | 118.4° | 123.3° |
| CA | CB | C | O | 99.0° | 0.0° |
| CA | CB | C | OXT | 114.0° | 180.0° |
| CB | CA | N | H | 57.2° | 177.1° |
| CB | CA | N | H2 | 62.7° | 58.9° |
| CB | CA | CG | HG1C | 133.9° | 118.0° |
| CB | CA | CG | HG2C | 104.4° | 120.6° |
| CA | CB | CD | HD1C | 100.7° | 81.1° |
| CA | CB | CD | HD2C | 137.9° | 155.8° |
| CG | NG | CD | C1 | 179.7° | 180.0° |
| CG | NG | CD | CB | 10.3° | 39.2° |
| CG | NG | C1 | O1 | 0.1° | 180.0° |
| CG | NG | C1 | C2 | 179.2° | 0.0° |
| NG | CG | CA | HA | 101.9° | 120.3° |
| NG | CG | HG1C | HG2C | 122.5° | 121.2° |
| CG | NG | CD | HD1C | 109.0° | 79.1° |
| CG | NG | CD | HD2C | 129.6° | 157.7° |
| NG | CD | CB | HD1C | 119.3° | 118.4° |
| NG | CD | CB | HD2C | 119.3° | 118.5° |
| NG | CD | CB | C | 137.2° | 155.7° |
| CD | NG | C1 | O1 | 179.7° | 0.0° |
| CD | NG | C1 | C2 | 0.4° | 180.0° |
| CD | NG | CG | HG1C | 121.5° | 93.9° |
| CD | NG | CG | HG2C | 116.8° | 144.8° |
| NG | CD | CB | HB | 98.2° | 81.0° |
| NG | CD | HD1C | HD2C | 121.9° | 123.2° |
| C1 | NG | CD | CB | 169.3° | 140.8° |
| NG | C1 | O1 | C2 | 179.3° | 180.0° |
| NG | C1 | C2 | C3 | 132.4° | 180.0° |
| C1 | NG | CG | HG1C | 58.8° | 86.1° |
| C1 | NG | CG | HG2C | 62.9° | 35.2° |
| C1 | NG | CD | HD1C | 71.3° | 100.9° |
| C1 | NG | CD | HD2C | 50.0° | 22.3° |
| NG | C1 | C2 | H21C | 107.0° | 60.0° |
| NG | C1 | C2 | H22C | 11.8° | 60.0° |
| CD | CB | C | HB | 124.6° | 123.2° |
| CD | CB | C | O | 18.0° | 113.4° |
| CD | CB | C | OXT | 128.9° | 66.5° |
| CD | CB | CA | HA | 95.6° | 97.1° |
| CB | CD | HD1C | HD2C | 122.0° | 123.1° |
| CB | C | O | OXT | 141.6° | 180.0° |
| C | CB | CA | HA | 29.9° | 21.3° |
| C | CB | CD | HD1C | 17.9° | 37.3° |
| C | CB | CD | HD2C | 103.5° | 85.8° |
| CB | C | OXT | HXT | 146.2° | 180.0° |
| O | C | CB | HB | 142.6° | 123.4° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| OXT | C | CB | HB | 4.4° | 56.7° |
| O1 | C1 | C2 | C3 | 48.3° | 0.0° |
| O1 | C1 | C2 | H21C | 72.4° | 120.1° |
| O1 | C1 | C2 | H22C | 168.9° | 120.0° |
| C1 | C2 | C3 | H21C | 120.6° | 120.1° |
| C1 | C2 | C3 | H22C | 120.6° | 120.0° |
| C1 | C2 | C3 | C4 | 65.7° | 180.0° |
| C1 | C2 | H21C | H22C | 118.1° | 119.9° |
| C1 | C2 | C3 | H31C | 173.2° | 60.0° |
| C1 | C2 | C3 | H32C | 55.4° | 60.0° |
| C2 | C3 | C4 | H31C | 121.2° | 120.1° |
| C2 | C3 | C4 | H32C | 121.1° | 120.0° |
| C2 | C3 | C4 | O41 | 142.9° | 180.0° |
| C2 | C3 | C4 | O42 | 38.0° | 0.0° |
| C3 | C2 | H21C | H22C | 118.0° | 120.0° |
| C2 | C3 | H31C | H32C | 116.4° | 120.0° |
| C3 | C4 | O41 | O42 | 179.1° | 180.0° |
| C4 | C3 | C2 | H21C | 55.0° | 59.9° |
| C4 | C3 | C2 | H22C | 173.7° | 60.0° |
| C4 | C3 | H31C | H32C | 116.5° | 119.9° |
| C3 | C4 | O41 | H41 | 179.1° | 180.0° |
| O41 | C4 | C3 | H31C | 95.9° | 60.0° |
| O41 | C4 | C3 | H32C | 21.8° | 60.0° |
| O42 | C4 | C3 | H31C | 83.1° | 120.1° |
| O42 | C4 | C3 | H32C | 159.1° | 120.0° |
| O42 | C4 | O41 | H41 | 0.0° | 0.0° |
| H | N | CA | HA | 60.3° | 60.7° |
| H2 | N | CA | HA | 179.7° | 63.3° |
| HA | CA | CG | HG1C | 17.3° | 1.0° |
| HA | CA | CG | HG2C | 139.0° | 120.4° |
| HA | CA | CB | HB | 147.9° | 144.6° |
| HB | CB | CD | HD1C | 142.5° | 160.6° |
| HB | CB | CD | HD2C | 21.1° | 37.4° |
| H21C | C2 | C3 | H31C | 66.2° | 180.0° |
| H21C | C2 | C3 | H32C | 176.1° | 60.0° |
| H22C | C2 | C3 | H31C | 52.5° | 60.0° |
| H22C | C2 | C3 | H32C | 65.2° | 180.0° |
