A1EDD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NZ | CE | sing | 1.47Å | 1.48Å | |
| CE | CD | sing | 1.53Å | 1.55Å | |
| CD | CG | sing | 1.53Å | 1.56Å | |
| CG | CB | sing | 1.53Å | 1.53Å | |
| CB | CA | sing | 1.53Å | 1.55Å | |
| O | C | doub | 1.21Å | 1.27Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | N | sing | 1.46Å | 1.47Å | |
| N | S22 | sing | 1.66Å | 1.63Å | |
| O23 | S22 | doub | 1.42Å | 1.43Å | |
| S22 | C25 | sing | 1.81Å | 1.76Å | |
| S22 | O24 | doub | 1.42Å | 1.43Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| CA | H2 | sing | 1.09Å | 1.10Å | |
| CB | H4 | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CG | H6 | sing | 1.09Å | 1.10Å | |
| CG | H7 | sing | 1.09Å | 1.10Å | |
| CD | H8 | sing | 1.09Å | 1.10Å | |
| CD | H9 | sing | 1.09Å | 1.10Å | |
| CE | H10 | sing | 1.09Å | 1.10Å | |
| CE | H11 | sing | 1.09Å | 1.10Å | |
| NZ | H12 | sing | 1.01Å | 1.00Å | |
| NZ | H13 | sing | 1.01Å | 1.00Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NZ | CE | CD | 110.0° | 109.4° |
| NZ | CE | H10 | 109.3° | 109.5° |
| NZ | CE | H11 | 109.3° | 109.5° |
| CE | NZ | H12 | 109.5° | 111.0° |
| CE | NZ | H13 | 109.5° | 111.0° |
| CE | CD | CG | 110.6° | 109.5° |
| CE | CD | H8 | 109.2° | 109.5° |
| CE | CD | H9 | 109.2° | 109.5° |
| CD | CE | H10 | 109.3° | 109.5° |
| CD | CE | H11 | 109.4° | 109.4° |
| CD | CG | CB | 109.7° | 109.5° |
| CD | CG | H6 | 109.4° | 109.5° |
| CD | CG | H7 | 109.4° | 109.5° |
| CG | CD | H8 | 109.2° | 109.5° |
| CG | CD | H9 | 109.2° | 109.5° |
| CG | CB | CA | 114.7° | 109.5° |
| CG | CB | H4 | 108.2° | 109.5° |
| CG | CB | H5 | 108.2° | 109.4° |
| CB | CG | H6 | 109.4° | 109.5° |
| CB | CG | H7 | 109.4° | 109.4° |
| CB | CA | C | 112.4° | 109.5° |
| CB | CA | N | 110.3° | 109.5° |
| CB | CA | H2 | 106.8° | 109.4° |
| CA | CB | H4 | 108.1° | 109.5° |
| CA | CB | H5 | 108.1° | 109.5° |
| O | C | CA | 120.6° | 120.0° |
| O | C | OXT | 122.6° | 120.0° |
| C | CA | N | 112.1° | 109.5° |
| C | CA | H2 | 107.1° | 109.5° |
| CA | C | OXT | 116.7° | 120.0° |
| CA | N | S22 | 125.7° | 120.0° |
| CA | N | H1 | 105.3° | 120.0° |
| N | CA | H2 | 107.8° | 109.5° |
| N | S22 | O23 | 107.3° | 104.3° |
| N | S22 | C25 | 108.9° | 104.5° |
| N | S22 | O24 | 105.8° | 104.3° |
| S22 | N | H1 | 105.3° | 120.0° |
| O23 | S22 | C25 | 108.5° | 110.5° |
| O23 | S22 | O24 | 117.3° | 121.0° |
| C25 | S22 | O24 | 108.7° | 110.5° |
| S22 | C25 | H15 | 109.5° | 109.4° |
| S22 | C25 | H16 | 109.5° | 109.5° |
| S22 | C25 | H17 | 109.5° | 109.5° |
| H4 | CB | H5 | 109.4° | 109.5° |
| H6 | CG | H7 | 109.5° | 109.4° |
| H8 | CD | H9 | 109.5° | 109.4° |
| H10 | CE | H11 | 109.5° | 109.5° |
| H12 | NZ | H13 | 109.5° | 111.0° |
| H15 | C25 | H16 | 109.5° | 109.4° |
| H15 | C25 | H17 | 109.4° | 109.5° |
| H16 | C25 | H17 | 109.5° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NZ | CE | CD | H10 | 120.0° | 120.1° |
| NZ | CE | CD | H11 | 120.1° | 119.9° |
| NZ | CE | CD | CG | 171.1° | 180.0° |
| NZ | CE | CD | H8 | 50.9° | 59.9° |
| NZ | CE | CD | H9 | 68.7° | 60.0° |
| NZ | CE | H10 | H11 | 119.7° | 120.0° |
| CE | NZ | H12 | H13 | 120.0° | 124.0° |
| CE | CD | CG | H8 | 120.2° | 120.1° |
| CE | CD | CG | H9 | 120.1° | 120.0° |
| CE | CD | CG | CB | 175.4° | NaN° |
| CE | CD | CG | H6 | 64.5° | 59.9° |
| CE | CD | CG | H7 | 55.4° | 60.0° |
| CE | CD | H8 | H9 | 119.5° | 120.0° |
| CD | CE | H10 | H11 | 119.8° | 120.0° |
| CD | CE | NZ | H12 | 180.0° | 180.0° |
| CD | CE | NZ | H13 | 60.0° | 56.1° |
| CD | CG | CB | H6 | 120.0° | 120.0° |
| CD | CG | CB | H7 | 120.0° | 120.0° |
| CD | CG | CB | CA | 175.2° | NaN° |
| CD | CG | CB | H4 | 54.5° | 60.0° |
| CD | CG | CB | H5 | 64.0° | 60.0° |
| CD | CG | H6 | H7 | 119.9° | 120.0° |
| CG | CD | H8 | H9 | 119.5° | 120.0° |
| CG | CD | CE | H10 | 68.8° | 60.0° |
| CG | CD | CE | H11 | 51.1° | 60.0° |
| CG | CB | CA | H4 | 120.8° | 120.1° |
| CG | CB | CA | H5 | 120.8° | 119.9° |
| CG | CB | CA | C | 42.9° | 175.0° |
| CG | CB | CA | N | 83.0° | 65.0° |
| CG | CB | CA | H2 | 160.1° | 55.0° |
| CG | CB | H4 | H5 | 117.6° | 120.0° |
| CB | CG | H6 | H7 | 119.9° | 120.0° |
| CB | CG | CD | H8 | 55.3° | 59.9° |
| CB | CG | CD | H9 | 64.4° | 60.0° |
| CB | CA | C | O | 48.4° | 120.0° |
| CB | CA | C | N | 124.9° | 120.0° |
| CB | CA | C | H2 | 117.0° | 120.0° |
| CB | CA | N | H2 | 116.3° | 120.0° |
| CB | CA | N | S22 | 143.2° | 145.0° |
| CB | CA | N | H1 | 21.0° | 34.8° |
| CA | CB | H4 | H5 | 117.6° | 120.0° |
| CA | CB | CG | H6 | 64.7° | 60.0° |
| CA | CB | CG | H7 | 55.2° | 60.0° |
| CB | CA | C | OXT | 132.2° | 60.0° |
| O | C | CA | OXT | 179.4° | 180.0° |
| O | C | CA | N | 173.3° | 0.0° |
| O | C | CA | H2 | 68.6° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | CA | N | H2 | 117.6° | 120.0° |
| C | CA | N | S22 | 90.8° | 95.0° |
| C | CA | N | H1 | 147.0° | 85.3° |
| C | CA | CB | H4 | 77.9° | 55.0° |
| C | CA | CB | H5 | 163.7° | 65.1° |
| CA | C | OXT | HXT | 179.4° | 180.0° |
| CA | N | S22 | H1 | 122.2° | 179.7° |
| CA | N | S22 | O23 | 85.8° | 179.2° |
| CA | N | S22 | C25 | 31.5° | 64.7° |
| CA | N | S22 | O24 | 148.2° | 51.3° |
| N | CA | CB | H4 | 156.2° | 175.0° |
| N | CA | CB | H5 | 37.8° | 55.0° |
| N | CA | C | OXT | 7.3° | 180.0° |
| N | S22 | O23 | C25 | 117.5° | 111.8° |
| N | S22 | O23 | O24 | 118.8° | 116.8° |
| N | S22 | C25 | O24 | 114.8° | 111.6° |
| S22 | N | CA | H2 | 26.8° | 25.0° |
| N | S22 | C25 | H15 | 180.0° | 60.0° |
| N | S22 | C25 | H16 | 60.0° | 180.0° |
| N | S22 | C25 | H17 | 60.0° | 59.9° |
| O23 | S22 | C25 | O24 | 128.7° | 136.7° |
| O23 | S22 | N | H1 | 36.4° | 1.1° |
| O23 | S22 | C25 | H15 | 63.4° | 51.6° |
| O23 | S22 | C25 | H16 | 176.5° | 68.3° |
| O23 | S22 | C25 | H17 | 56.5° | 171.6° |
| C25 | S22 | N | H1 | 153.7° | 115.0° |
| S22 | C25 | H15 | H16 | 120.0° | 120.0° |
| S22 | C25 | H15 | H17 | 120.0° | 120.0° |
| S22 | C25 | H16 | H17 | 120.0° | 120.1° |
| O24 | S22 | N | H1 | 89.7° | 128.9° |
| O24 | S22 | C25 | H15 | 65.2° | 171.7° |
| O24 | S22 | C25 | H16 | 54.8° | 68.4° |
| O24 | S22 | C25 | H17 | 174.8° | 51.7° |
| H1 | N | CA | H2 | 95.3° | 154.7° |
| H2 | CA | CB | H4 | 39.3° | 65.0° |
| H2 | CA | CB | H5 | 79.1° | 174.9° |
| H2 | CA | C | OXT | 110.8° | 60.0° |
| H4 | CB | CG | H6 | 174.5° | 180.0° |
| H4 | CB | CG | H7 | 65.6° | 60.0° |
| H5 | CB | CG | H6 | 56.0° | 60.0° |
| H5 | CB | CG | H7 | 176.0° | 180.0° |
| H6 | CG | CD | H8 | 175.3° | 180.0° |
| H6 | CG | CD | H9 | 55.6° | 60.0° |
| H7 | CG | CD | H8 | 64.8° | 60.0° |
| H7 | CG | CD | H9 | 175.5° | 180.0° |
| H8 | CD | CE | H10 | 171.0° | 180.0° |
| H8 | CD | CE | H11 | 69.1° | 60.0° |
| H9 | CD | CE | H10 | 51.3° | 60.0° |
| H9 | CD | CE | H11 | 171.2° | 180.0° |
| H10 | CE | NZ | H12 | 59.9° | 60.0° |
| H10 | CE | NZ | H13 | 60.1° | 176.1° |
| H11 | CE | NZ | H12 | 59.9° | 60.1° |
| H11 | CE | NZ | H13 | 179.9° | 63.8° |
| H15 | C25 | H16 | H17 | 120.0° | 120.0° |
