A1D5E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C76 | N77 | sing | 1.47Å | 1.45Å | |
| C76 | C75 | sing | 1.53Å | 1.55Å | |
| N74 | C75 | sing | 1.46Å | 1.46Å | |
| N74 | C72 | sing | 1.35Å | 1.50Å | |
| O73 | C72 | doub | 1.21Å | 1.21Å | |
| C72 | O71 | sing | 1.35Å | 1.43Å | |
| O71 | CG | sing | 1.45Å | 1.44Å | |
| CB | CG | sing | 1.54Å | 1.31Å | |
| CB | CA | sing | 1.54Å | 1.66Å | |
| CG | CD | sing | 1.54Å | 1.59Å | |
| O | C | doub | 1.21Å | 1.17Å | |
| CA | C | sing | 1.51Å | 1.60Å | |
| CA | N | sing | 1.49Å | 1.35Å | |
| CD | N | sing | 1.48Å | 1.58Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | 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 | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C75 | H8 | sing | 1.09Å | 1.10Å | |
| C75 | H9 | sing | 1.09Å | 1.10Å | |
| C76 | H10 | sing | 1.09Å | 1.10Å | |
| C76 | H11 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N74 | H14 | sing | 0.97Å | 1.00Å | |
| N77 | H15 | sing | 1.01Å | 1.00Å | |
| N77 | H16 | sing | 1.01Å | 1.00Å | |
| C | OXT | sing | 1.34Å | 1.51Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N77 | C76 | C75 | 110.4° | 109.5° |
| N77 | C76 | H10 | 109.3° | 109.5° |
| N77 | C76 | H11 | 109.3° | 109.5° |
| C76 | N77 | H15 | 109.5° | 111.0° |
| C76 | N77 | H16 | 109.5° | 111.0° |
| C76 | C75 | N74 | 110.4° | 109.5° |
| C76 | C75 | H8 | 109.2° | 109.4° |
| C76 | C75 | H9 | 109.2° | 109.4° |
| C75 | C76 | H10 | 109.3° | 109.4° |
| C75 | C76 | H11 | 109.2° | 109.4° |
| C75 | N74 | C72 | 120.0° | 120.0° |
| N74 | C75 | H8 | 109.2° | 109.5° |
| N74 | C75 | H9 | 109.2° | 109.5° |
| C75 | N74 | H14 | 120.0° | 120.0° |
| N74 | C72 | O73 | 120.0° | 120.0° |
| N74 | C72 | O71 | 120.1° | 120.0° |
| C72 | N74 | H14 | 120.0° | 120.0° |
| O73 | C72 | O71 | 119.9° | 120.0° |
| C72 | O71 | CG | 114.2° | 117.0° |
| O71 | CG | CB | 110.5° | 110.3° |
| O71 | CG | CD | 110.1° | 110.4° |
| O71 | CG | HG2 | 110.5° | 110.4° |
| CG | CB | CA | 106.4° | 105.1° |
| CB | CG | CD | 104.6° | 105.0° |
| CG | CB | HB3 | 110.2° | 110.3° |
| CG | CB | HB2 | 110.2° | 110.4° |
| CB | CG | HG2 | 112.6° | 110.3° |
| CB | CA | C | 109.1° | 110.4° |
| CB | CA | N | 107.4° | 104.6° |
| CA | CB | HB3 | 110.2° | 110.3° |
| CA | CB | HB2 | 110.2° | 110.3° |
| CB | CA | HA | 107.7° | 110.4° |
| CG | CD | N | 105.5° | 104.6° |
| CD | CG | HG2 | 108.4° | 110.3° |
| CG | CD | HD2 | 110.5° | 110.4° |
| CG | CD | HD3 | 110.5° | 110.4° |
| O | C | CA | 119.3° | 120.0° |
| O | C | OXT | 119.7° | 120.0° |
| C | CA | N | 112.1° | 110.4° |
| C | CA | HA | 108.4° | 110.4° |
| CA | C | OXT | 121.0° | 120.0° |
| CA | N | CD | 105.9° | 104.2° |
| N | CA | HA | 112.0° | 110.5° |
| CA | N | H | 110.4° | 111.0° |
| N | CD | HD2 | 110.5° | 110.4° |
| N | CD | HD3 | 110.5° | 110.4° |
| CD | N | H | 110.3° | 111.0° |
| HB3 | CB | HB2 | 109.5° | 110.3° |
| HD2 | CD | HD3 | 109.5° | 110.5° |
| H8 | C75 | H9 | 109.5° | 109.4° |
| H10 | C76 | H11 | 109.4° | 109.5° |
| H15 | N77 | H16 | 109.4° | 111.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N77 | C76 | C75 | H10 | 120.2° | 120.0° |
| N77 | C76 | C75 | H11 | 120.2° | 120.0° |
| N77 | C76 | C75 | N74 | 145.4° | 180.0° |
| N77 | C76 | C75 | H8 | 25.3° | 59.9° |
| N77 | C76 | C75 | H9 | 94.4° | 60.0° |
| N77 | C76 | H10 | H11 | 119.6° | 120.0° |
| C76 | N77 | H15 | H16 | 120.0° | 124.0° |
| C76 | C75 | N74 | H8 | 120.1° | 120.0° |
| C76 | C75 | N74 | H9 | 120.1° | 120.0° |
| C76 | C75 | N74 | C72 | 135.9° | 180.0° |
| C76 | C75 | H8 | H9 | 119.6° | 119.9° |
| C75 | C76 | H10 | H11 | 119.6° | 119.9° |
| C76 | C75 | N74 | H14 | 44.1° | 0.0° |
| C75 | C76 | N77 | H15 | 180.0° | 180.0° |
| C75 | C76 | N77 | H16 | 60.0° | 56.1° |
| C75 | N74 | C72 | H14 | 180.0° | 180.0° |
| C75 | N74 | C72 | O73 | 166.4° | 0.0° |
| C75 | N74 | C72 | O71 | 13.2° | 180.0° |
| N74 | C75 | H8 | H9 | 119.6° | 120.0° |
| N74 | C75 | C76 | H10 | 94.4° | 60.0° |
| N74 | C75 | C76 | H11 | 25.3° | 60.0° |
| N74 | C72 | O73 | O71 | 179.6° | 180.0° |
| N74 | C72 | O71 | CG | 107.8° | 180.0° |
| C72 | N74 | C75 | H8 | 15.8° | 60.0° |
| C72 | N74 | C75 | H9 | 103.9° | 60.0° |
| O73 | C72 | O71 | CG | 72.6° | 0.1° |
| O73 | C72 | N74 | H14 | 13.6° | 180.0° |
| C72 | O71 | CG | CB | 66.7° | 150.0° |
| C72 | O71 | CG | CD | 178.2° | 94.3° |
| C72 | O71 | CG | HG2 | 58.5° | 27.9° |
| O71 | C72 | N74 | H14 | 166.8° | 0.0° |
| O71 | CG | CB | CD | 118.5° | 118.9° |
| O71 | CG | CB | HG2 | 124.0° | 122.2° |
| O71 | CG | CB | CA | 87.0° | 118.9° |
| O71 | CG | CD | HG2 | 121.0° | 122.2° |
| O71 | CG | CD | N | 92.9° | 142.7° |
| O71 | CG | CB | HB3 | 32.5° | 0.0° |
| O71 | CG | CB | HB2 | 153.5° | 122.2° |
| O71 | CG | CD | HD2 | 147.7° | 98.5° |
| O71 | CG | CD | HD3 | 26.4° | 23.9° |
| CG | CB | CA | HB3 | 119.5° | 118.9° |
| CG | CB | CA | HB2 | 119.5° | 119.0° |
| CB | CG | CD | HG2 | 120.3° | 118.9° |
| CG | CB | CA | C | 151.2° | 142.6° |
| CG | CB | CA | N | 29.4° | 23.9° |
| CB | CG | CD | N | 25.8° | 23.8° |
| CG | CB | HB3 | HB2 | 121.4° | 122.2° |
| CB | CG | CD | HD2 | 93.6° | 142.6° |
| CB | CG | CD | HD3 | 145.1° | 95.0° |
| CG | CB | CA | HA | 91.4° | 95.0° |
| CA | CB | CG | CD | 31.5° | 0.1° |
| CB | CA | C | O | 100.4° | 100.0° |
| CB | CA | C | N | 118.9° | 115.1° |
| CB | CA | C | HA | 117.0° | 122.4° |
| CB | CA | N | HA | 118.0° | 118.8° |
| CB | CA | N | CD | 11.0° | 39.5° |
| CA | CB | HB3 | HB2 | 121.4° | 122.1° |
| CA | CB | CG | HG2 | 149.0° | 118.9° |
| CB | CA | N | H | 130.4° | 159.1° |
| CB | CA | C | OXT | 79.5° | 80.0° |
| CG | CD | N | CA | 6.5° | 39.5° |
| CG | CD | N | HD2 | 119.3° | 118.8° |
| CG | CD | N | HD3 | 119.4° | 118.7° |
| CD | CG | CB | HB3 | 151.0° | 118.9° |
| CD | CG | CB | HB2 | 88.1° | 118.9° |
| CG | CD | HD2 | HD3 | 121.9° | 122.3° |
| CG | CD | N | H | 112.9° | 159.0° |
| O | C | CA | OXT | 179.9° | 180.0° |
| O | C | CA | N | 140.8° | 15.1° |
| O | C | CA | HA | 16.6° | 137.6° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | CA | N | HA | 122.1° | 122.4° |
| C | CA | N | CD | 130.8° | 158.3° |
| C | CA | CB | HB3 | 89.3° | 98.5° |
| C | CA | CB | HB2 | 31.7° | 23.7° |
| C | CA | N | H | 109.8° | 82.2° |
| CA | C | OXT | HXT | 179.8° | 180.0° |
| CA | N | CD | H | 119.5° | 119.5° |
| N | CA | CB | HB3 | 148.9° | 142.8° |
| N | CA | CB | HB2 | 90.1° | 95.1° |
| CA | N | CD | HD2 | 112.8° | 158.3° |
| CA | N | CD | HD3 | 125.9° | 79.3° |
| N | CA | C | OXT | 39.4° | 164.8° |
| N | CD | CG | HG2 | 146.1° | 95.0° |
| N | CD | HD2 | HD3 | 121.9° | 122.5° |
| CD | N | CA | HA | 107.1° | 79.3° |
| HB3 | CB | CG | HG2 | 91.5° | 122.2° |
| HB3 | CB | CA | HA | 28.2° | 23.9° |
| HB2 | CB | CG | HG2 | 29.5° | 0.0° |
| HB2 | CB | CA | HA | 149.1° | 146.1° |
| HG2 | CG | CD | HD2 | 26.8° | 23.8° |
| HG2 | CG | CD | HD3 | 94.5° | 146.2° |
| HD2 | CD | N | H | 127.7° | 82.2° |
| HD3 | CD | N | H | 6.4° | 40.2° |
| HA | CA | N | H | 12.4° | 40.2° |
| HA | CA | C | OXT | 163.5° | 42.4° |
| H8 | C75 | C76 | H10 | 145.4° | 60.1° |
| H8 | C75 | C76 | H11 | 94.9° | 180.0° |
| H8 | C75 | N74 | H14 | 164.2° | 120.0° |
| H9 | C75 | C76 | H10 | 25.7° | 180.0° |
| H9 | C75 | C76 | H11 | 145.4° | 60.1° |
| H9 | C75 | N74 | H14 | 76.1° | 120.0° |
| H10 | C76 | N77 | H15 | 59.8° | 60.0° |
| H10 | C76 | N77 | H16 | 60.1° | 176.1° |
| H11 | C76 | N77 | H15 | 59.9° | 60.0° |
| H11 | C76 | N77 | H16 | 179.8° | 63.9° |
