A1ALE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.19Å | |
| C | CA | sing | 1.51Å | 1.54Å | |
| CA | N | sing | 1.47Å | 1.41Å | |
| CA | CB | sing | 1.53Å | 1.55Å | |
| C81 | N7 | sing | 1.47Å | 1.45Å | |
| CG | CB | sing | 1.53Å | 1.56Å | |
| CG | CD | sing | 1.53Å | 1.57Å | |
| N7 | C82 | sing | 1.47Å | 1.47Å | |
| N7 | CZ | sing | 1.35Å | 1.49Å | |
| CE | CZ | sing | 1.51Å | 1.55Å | |
| CE | CD | sing | 1.53Å | 1.57Å | |
| CZ | O7 | doub | 1.21Å | 1.18Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CG | HG1 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CD | HD1 | sing | 1.09Å | 1.10Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CE | HE1 | sing | 1.09Å | 1.10Å | |
| CE | HE2 | sing | 1.09Å | 1.10Å | |
| C81 | H14 | sing | 1.09Å | 1.10Å | |
| C81 | H15 | sing | 1.09Å | 1.10Å | |
| C81 | H16 | sing | 1.09Å | 1.10Å | |
| C82 | H17 | sing | 1.09Å | 1.10Å | |
| C82 | H18 | sing | 1.09Å | 1.10Å | |
| C82 | H19 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 53.84Å | |
| OXT | H1 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 119.0° | 120.0° |
| O | C | OXT | 70.7° | 120.0° |
| C | CA | N | 98.9° | 109.5° |
| C | CA | CB | 114.4° | 109.4° |
| C | CA | HA | 110.9° | 109.4° |
| CA | C | OXT | 126.3° | 120.0° |
| N | CA | CB | 108.5° | 109.5° |
| N | CA | HA | 112.9° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | CB | CG | 113.4° | 109.5° |
| CB | CA | HA | 110.8° | 109.5° |
| CA | CB | HB1 | 108.5° | 109.5° |
| CA | CB | HB2 | 108.5° | 109.5° |
| C81 | N7 | C82 | 116.9° | 120.0° |
| C81 | N7 | CZ | 120.7° | 119.9° |
| N7 | C81 | H14 | 109.5° | 109.4° |
| N7 | C81 | H15 | 109.5° | 109.5° |
| N7 | C81 | H16 | 109.5° | 109.4° |
| CB | CG | CD | 111.8° | 109.5° |
| CG | CB | HB1 | 108.5° | 109.5° |
| CG | CB | HB2 | 108.5° | 109.4° |
| CB | CG | HG1 | 108.9° | 109.5° |
| CB | CG | HG2 | 108.9° | 109.5° |
| CG | CD | CE | 111.1° | 109.5° |
| CD | CG | HG1 | 108.9° | 109.4° |
| CD | CG | HG2 | 108.9° | 109.5° |
| CG | CD | HD1 | 109.1° | 109.4° |
| CG | CD | HD2 | 109.1° | 109.5° |
| C82 | N7 | CZ | 122.4° | 120.0° |
| N7 | C82 | H17 | 109.5° | 109.5° |
| N7 | C82 | H18 | 109.5° | 109.4° |
| N7 | C82 | H19 | 109.5° | 109.4° |
| N7 | CZ | CE | 119.7° | 120.0° |
| N7 | CZ | O7 | 121.8° | 119.9° |
| CZ | CE | CD | 116.6° | 109.5° |
| CE | CZ | O7 | 118.5° | 120.0° |
| CZ | CE | HE1 | 107.7° | 109.5° |
| CZ | CE | HE2 | 107.7° | 109.5° |
| CE | CD | HD1 | 109.1° | 109.5° |
| CE | CD | HD2 | 109.0° | 109.5° |
| CD | CE | HE1 | 107.7° | 109.4° |
| CD | CE | HE2 | 107.7° | 109.4° |
| HB1 | CB | HB2 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| HG1 | CG | HG2 | 109.5° | 109.4° |
| HD1 | CD | HD2 | 109.5° | 109.4° |
| HE1 | CE | HE2 | 109.5° | 109.5° |
| H14 | C81 | H15 | 109.5° | 109.5° |
| H14 | C81 | H16 | 109.5° | 109.5° |
| H15 | C81 | H16 | 109.5° | 109.5° |
| H17 | C82 | H18 | 109.4° | 109.5° |
| H17 | C82 | H19 | 109.5° | 109.5° |
| H18 | C82 | H19 | 109.5° | 109.5° |
| C | OXT | H1 | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 86.4° | 179.9° |
| O | C | CA | N | 60.0° | 20.0° |
| O | C | CA | CB | 55.1° | 100.0° |
| O | C | CA | HA | 178.7° | 140.0° |
| O | C | OXT | H1 | 90.0° | 0.1° |
| C | CA | N | CB | 119.6° | 120.0° |
| C | CA | N | HA | 117.2° | 120.0° |
| C | CA | CB | HA | 126.2° | 119.9° |
| C | CA | CB | CG | 95.2° | 175.0° |
| C | CA | CB | HB1 | 144.2° | 65.0° |
| C | CA | CB | HB2 | 25.3° | 55.0° |
| C | CA | N | H | 180.0° | 64.0° |
| C | CA | N | H2 | 60.0° | 60.0° |
| CA | C | OXT | H1 | 90.0° | 180.0° |
| N | CA | CB | HA | 124.4° | 120.1° |
| N | CA | CB | CG | 155.4° | 65.0° |
| N | CA | CB | HB1 | 34.8° | 55.0° |
| N | CA | CB | HB2 | 84.0° | 175.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | C | OXT | 146.4° | 160.0° |
| CA | CB | CG | HB1 | 120.6° | 120.0° |
| CA | CB | CG | HB2 | 120.6° | 120.0° |
| CA | CB | CG | CD | 179.1° | 180.0° |
| CA | CB | HB1 | HB2 | 118.2° | 120.0° |
| CB | CA | N | H | 60.4° | 176.1° |
| CB | CA | N | H2 | 179.6° | 60.0° |
| CA | CB | CG | HG1 | 58.7° | 60.0° |
| CA | CB | CG | HG2 | 60.5° | 60.0° |
| CB | CA | C | OXT | 31.3° | 80.0° |
| C81 | N7 | C82 | CZ | 179.8° | 180.0° |
| C81 | N7 | CZ | CE | 0.3° | 0.0° |
| C81 | N7 | CZ | O7 | 179.6° | 180.0° |
| N7 | C81 | H14 | H15 | 120.0° | 120.0° |
| N7 | C81 | H14 | H16 | 120.0° | 119.9° |
| N7 | C81 | H15 | H16 | 120.0° | 120.0° |
| C81 | N7 | C82 | H17 | 180.0° | 180.0° |
| C81 | N7 | C82 | H18 | 60.0° | 60.0° |
| C81 | N7 | C82 | H19 | 60.0° | 60.0° |
| CB | CG | CD | HG1 | 120.3° | 120.0° |
| CB | CG | CD | HG2 | 120.4° | 120.0° |
| CB | CG | CD | CE | 136.6° | 180.0° |
| CG | CB | CA | HA | 31.0° | 55.1° |
| CG | CB | HB1 | HB2 | 118.2° | 120.0° |
| CB | CG | HG1 | HG2 | 118.9° | 120.0° |
| CB | CG | CD | HD1 | 103.2° | 60.0° |
| CB | CG | CD | HD2 | 16.3° | 60.0° |
| CG | CD | CE | CZ | 132.5° | 180.0° |
| CG | CD | CE | HD1 | 120.2° | 120.0° |
| CG | CD | CE | HD2 | 120.2° | 120.1° |
| CD | CG | CB | HB1 | 60.3° | 60.0° |
| CD | CG | CB | HB2 | 58.5° | 60.0° |
| CD | CG | HG1 | HG2 | 118.9° | 120.0° |
| CG | CD | HD1 | HD2 | 119.3° | 120.0° |
| CG | CD | CE | HE1 | 106.4° | 60.0° |
| CG | CD | CE | HE2 | 11.5° | 60.0° |
| C82 | N7 | CZ | CE | 179.9° | 180.0° |
| C82 | N7 | CZ | O7 | 0.2° | 0.0° |
| C82 | N7 | C81 | H14 | 180.0° | 90.0° |
| C82 | N7 | C81 | H15 | 60.0° | 150.0° |
| C82 | N7 | C81 | H16 | 60.0° | 30.0° |
| N7 | C82 | H17 | H18 | 120.0° | 120.0° |
| N7 | C82 | H17 | H19 | 120.0° | 120.0° |
| N7 | C82 | H18 | H19 | 120.0° | 119.9° |
| N7 | CZ | CE | O7 | 179.9° | 180.0° |
| N7 | CZ | CE | CD | 172.1° | 180.0° |
| N7 | CZ | CE | HE1 | 51.1° | 60.0° |
| N7 | CZ | CE | HE2 | 66.8° | 60.0° |
| CZ | N7 | C81 | H14 | 0.2° | 90.0° |
| CZ | N7 | C81 | H15 | 120.2° | 30.1° |
| CZ | N7 | C81 | H16 | 119.8° | 150.0° |
| CZ | N7 | C82 | H17 | 0.2° | 0.1° |
| CZ | N7 | C82 | H18 | 119.8° | 120.0° |
| CZ | N7 | C82 | H19 | 120.2° | 120.1° |
| CZ | CE | CD | HE1 | 121.0° | 120.0° |
| CZ | CE | CD | HE2 | 121.0° | 120.0° |
| CZ | CE | CD | HD1 | 107.2° | 60.0° |
| CZ | CE | CD | HD2 | 12.3° | 60.0° |
| CZ | CE | HE1 | HE2 | 116.8° | 120.1° |
| CD | CE | CZ | O7 | 8.0° | 0.0° |
| CE | CD | CG | HG1 | 16.2° | 60.0° |
| CE | CD | CG | HG2 | 103.1° | 60.0° |
| CE | CD | HD1 | HD2 | 119.3° | 120.0° |
| CD | CE | HE1 | HE2 | 116.7° | 119.9° |
| O7 | CZ | CE | HE1 | 129.0° | 120.0° |
| O7 | CZ | CE | HE2 | 113.1° | 120.0° |
| HA | CA | CB | HB1 | 89.6° | 175.1° |
| HA | CA | CB | HB2 | 151.6° | 64.9° |
| HA | CA | N | H | 62.8° | 56.0° |
| HA | CA | N | H2 | 57.3° | 180.0° |
| HA | CA | C | OXT | 94.8° | 39.9° |
| HB1 | CB | CG | HG1 | 179.3° | 180.0° |
| HB1 | CB | CG | HG2 | 60.0° | 60.0° |
| HB2 | CB | CG | HG1 | 61.8° | 60.0° |
| HB2 | CB | CG | HG2 | 178.9° | 180.0° |
| HG1 | CG | CD | HD1 | 136.4° | 180.0° |
| HG1 | CG | CD | HD2 | 104.0° | 60.0° |
| HG2 | CG | CD | HD1 | 17.2° | 60.0° |
| HG2 | CG | CD | HD2 | 136.7° | 180.0° |
| HD1 | CD | CE | HE1 | 13.8° | 180.0° |
| HD1 | CD | CE | HE2 | 131.7° | 60.0° |
| HD2 | CD | CE | HE1 | 133.4° | 60.1° |
| HD2 | CD | CE | HE2 | 108.7° | 180.0° |
| H14 | C81 | H15 | H16 | 120.0° | 120.0° |
| H17 | C82 | H18 | H19 | 120.0° | 120.1° |
