D8R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| O1 | C1 | doub | 1.21Å | 1.20Å | |
| O2 | C2 | sing | 1.43Å | 1.42Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C1 | NZ | sing | 1.35Å | 1.44Å | |
| NZ | CE | sing | 1.47Å | 1.51Å | |
| CE | CD | sing | 1.53Å | 1.53Å | |
| CD | CG | sing | 1.53Å | 1.52Å | |
| CG | CB | sing | 1.53Å | 1.53Å | |
| N | CA | sing | 1.47Å | 1.46Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| O | C | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.42Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CG | H7 | sing | 1.09Å | 1.10Å | |
| CG | H8 | sing | 1.09Å | 1.10Å | |
| CD | H9 | sing | 1.09Å | 1.10Å | |
| CD | H10 | sing | 1.09Å | 1.10Å | |
| CE | H11 | sing | 1.09Å | 1.10Å | |
| CE | H12 | sing | 1.09Å | 1.10Å | |
| NZ | H13 | sing | 0.97Å | 1.00Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| O2 | H18 | 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) |
| C3 | C2 | O2 | 109.4° | 109.4° |
| C3 | C2 | C1 | 111.9° | 109.5° |
| C3 | C2 | H14 | 107.9° | 109.5° |
| C2 | C3 | H15 | 109.5° | 109.5° |
| C2 | C3 | H16 | 109.5° | 109.5° |
| C2 | C3 | H17 | 109.5° | 109.5° |
| O1 | C1 | C2 | 120.8° | 120.0° |
| O1 | C1 | NZ | 118.5° | 120.0° |
| O2 | C2 | C1 | 110.6° | 109.5° |
| O2 | C2 | H14 | 109.1° | 109.4° |
| C2 | O2 | H18 | 109.5° | 114.1° |
| C2 | C1 | NZ | 120.7° | 120.0° |
| C1 | C2 | H14 | 107.8° | 109.5° |
| C1 | NZ | CE | 113.5° | 120.0° |
| C1 | NZ | H13 | 123.3° | 120.0° |
| NZ | CE | CD | 116.4° | 109.5° |
| NZ | CE | H11 | 107.7° | 109.5° |
| NZ | CE | H12 | 107.7° | 109.5° |
| CE | NZ | H13 | 123.2° | 120.0° |
| CE | CD | CG | 114.2° | 109.5° |
| CE | CD | H9 | 108.3° | 109.5° |
| CE | CD | H10 | 108.3° | 109.4° |
| CD | CE | H11 | 107.7° | 109.5° |
| CD | CE | H12 | 107.7° | 109.4° |
| CD | CG | CB | 114.2° | 109.5° |
| CD | CG | H7 | 108.3° | 109.5° |
| CD | CG | H8 | 108.3° | 109.5° |
| CG | CD | H9 | 108.3° | 109.5° |
| CG | CD | H10 | 108.3° | 109.5° |
| CG | CB | CA | 116.3° | 109.5° |
| CG | CB | H5 | 107.8° | 109.5° |
| CG | CB | H6 | 107.7° | 109.4° |
| CB | CG | H7 | 108.3° | 109.5° |
| CB | CG | H8 | 108.3° | 109.4° |
| N | CA | CB | 113.0° | 109.5° |
| N | CA | C | 108.3° | 109.5° |
| CA | N | H | 109.5° | 110.9° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 110.1° | 109.5° |
| CB | CA | C | 107.2° | 109.5° |
| CB | CA | HA | 109.1° | 109.4° |
| CA | CB | H5 | 107.7° | 109.5° |
| CA | CB | H6 | 107.8° | 109.5° |
| CA | C | O | 112.7° | 120.0° |
| CA | C | OXT | 110.7° | 120.0° |
| C | CA | HA | 109.1° | 109.5° |
| O | C | OXT | 136.6° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H | N | H2 | 109.4° | 111.0° |
| H5 | CB | H6 | 109.4° | 109.5° |
| H7 | CG | H8 | 109.5° | 109.5° |
| H9 | CD | H10 | 109.5° | 109.4° |
| H11 | CE | H12 | 109.4° | 109.5° |
| H15 | C3 | H16 | 109.5° | 109.4° |
| H15 | C3 | H17 | 109.4° | 109.5° |
| H16 | C3 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | O1 | 61.4° | 115.0° |
| C3 | C2 | O2 | C1 | 123.7° | 120.0° |
| C3 | C2 | O2 | H14 | 117.9° | 120.0° |
| C3 | C2 | C1 | H14 | 118.5° | 120.0° |
| C3 | C2 | C1 | NZ | 120.9° | 65.0° |
| C2 | C3 | H15 | H16 | 120.0° | 120.0° |
| C2 | C3 | H15 | H17 | 120.0° | 120.0° |
| C2 | C3 | H16 | H17 | 120.0° | 120.0° |
| C3 | C2 | O2 | H18 | 101.2° | 60.0° |
| O1 | C1 | C2 | O2 | 60.9° | 5.0° |
| O1 | C1 | C2 | NZ | 177.7° | 180.0° |
| O1 | C1 | NZ | CE | 20.2° | 0.0° |
| O1 | C1 | NZ | H13 | 159.8° | 180.0° |
| O1 | C1 | C2 | H14 | 179.9° | 125.0° |
| O2 | C2 | C1 | H14 | 119.3° | 120.0° |
| O2 | C2 | C1 | NZ | 116.8° | 175.0° |
| O2 | C2 | C3 | H15 | 180.0° | 60.0° |
| O2 | C2 | C3 | H16 | 60.0° | 60.0° |
| O2 | C2 | C3 | H17 | 60.0° | 180.0° |
| C2 | C1 | NZ | CE | 157.5° | 180.0° |
| C2 | C1 | NZ | H13 | 22.4° | 0.0° |
| C1 | C2 | C3 | H15 | 57.1° | 60.0° |
| C1 | C2 | C3 | H16 | 62.9° | 180.0° |
| C1 | C2 | C3 | H17 | 177.0° | 60.0° |
| C1 | C2 | O2 | H18 | 22.5° | 180.0° |
| C1 | NZ | CE | H13 | 180.0° | 180.0° |
| C1 | NZ | CE | CD | 144.4° | 180.0° |
| C1 | NZ | CE | H11 | 23.4° | 60.0° |
| C1 | NZ | CE | H12 | 94.6° | 60.0° |
| NZ | C1 | C2 | H14 | 2.5° | 55.0° |
| NZ | CE | CD | H11 | 121.0° | 120.0° |
| NZ | CE | CD | H12 | 121.0° | 120.0° |
| NZ | CE | CD | CG | 172.5° | 180.0° |
| NZ | CE | CD | H9 | 51.8° | 59.9° |
| NZ | CE | CD | H10 | 66.8° | 60.0° |
| NZ | CE | H11 | H12 | 116.8° | 120.0° |
| CE | CD | CG | H9 | 120.7° | 120.1° |
| CE | CD | CG | H10 | 120.7° | 120.0° |
| CE | CD | CG | CB | 167.3° | 180.0° |
| CE | CD | CG | H7 | 46.6° | 60.0° |
| CE | CD | CG | H8 | 72.0° | 60.0° |
| CE | CD | H9 | H10 | 117.8° | 119.9° |
| CD | CE | H11 | H12 | 116.8° | 119.9° |
| CD | CE | NZ | H13 | 35.5° | 0.0° |
| CD | CG | CB | H7 | 120.7° | 120.0° |
| CD | CG | CB | H8 | 120.7° | 120.0° |
| CD | CG | CB | CA | 177.8° | 180.0° |
| CD | CG | CB | H5 | 61.2° | 60.0° |
| CD | CG | CB | H6 | 56.8° | 60.0° |
| CD | CG | H7 | H8 | 117.8° | 120.0° |
| CG | CD | H9 | H10 | 117.8° | 120.0° |
| CG | CD | CE | H11 | 66.4° | 60.0° |
| CG | CD | CE | H12 | 51.5° | 60.0° |
| CG | CB | CA | N | 52.1° | 65.0° |
| CG | CB | CA | H5 | 121.0° | 120.0° |
| CG | CB | CA | H6 | 121.0° | 120.0° |
| CG | CB | CA | C | 171.4° | 175.0° |
| CG | CB | CA | HA | 70.7° | 55.0° |
| CG | CB | H5 | H6 | 116.9° | 120.0° |
| CB | CG | H7 | H8 | 117.8° | 120.0° |
| CB | CG | CD | H9 | 72.0° | 60.0° |
| CB | CG | CD | H10 | 46.6° | 60.0° |
| N | CA | CB | C | 119.3° | 120.0° |
| N | CA | CB | HA | 122.7° | 120.0° |
| N | CA | C | HA | 119.8° | 120.0° |
| N | CA | C | O | 71.3° | 20.0° |
| N | CA | C | OXT | 109.6° | 160.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | H5 | 173.1° | 55.0° |
| N | CA | CB | H6 | 68.9° | 175.0° |
| CB | CA | C | HA | 117.9° | 120.0° |
| CB | CA | C | O | 50.9° | 100.0° |
| CB | CA | C | OXT | 128.2° | 80.0° |
| CB | CA | N | H | 180.0° | 176.1° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| CA | CB | H5 | H6 | 116.9° | 120.0° |
| CA | CB | CG | H7 | 57.1° | 60.0° |
| CA | CB | CG | H8 | 61.5° | 60.0° |
| CA | C | O | OXT | 178.8° | 180.0° |
| C | CA | N | H | 61.4° | 63.9° |
| C | CA | N | H2 | 58.5° | 60.0° |
| C | CA | CB | H5 | 67.6° | 65.0° |
| C | CA | CB | H6 | 50.4° | 55.0° |
| CA | C | OXT | HXT | 178.8° | 180.0° |
| O | C | CA | HA | 168.9° | 140.1° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | HA | 10.3° | 40.0° |
| H | N | CA | HA | 57.8° | 56.1° |
| H2 | N | CA | HA | 177.8° | 180.0° |
| HA | CA | CB | H5 | 50.4° | 175.0° |
| HA | CA | CB | H6 | 168.4° | 65.0° |
| H5 | CB | CG | H7 | 178.1° | 180.0° |
| H5 | CB | CG | H8 | 59.5° | 60.0° |
| H6 | CB | CG | H7 | 63.9° | 60.0° |
| H6 | CB | CG | H8 | 177.5° | 180.0° |
| H7 | CG | CD | H9 | 167.3° | 180.0° |
| H7 | CG | CD | H10 | 74.1° | 60.0° |
| H8 | CG | CD | H9 | 48.7° | 60.0° |
| H8 | CG | CD | H10 | 167.3° | 180.0° |
| H9 | CD | CE | H11 | 172.9° | 180.0° |
| H9 | CD | CE | H12 | 69.2° | 60.1° |
| H10 | CD | CE | H11 | 54.3° | 60.0° |
| H10 | CD | CE | H12 | 172.2° | 180.0° |
| H11 | CE | NZ | H13 | 156.6° | 120.0° |
| H12 | CE | NZ | H13 | 85.5° | 120.0° |
| H14 | C2 | C3 | H15 | 61.3° | 179.9° |
| H14 | C2 | C3 | H16 | 178.7° | 60.0° |
| H14 | C2 | C3 | H17 | 58.7° | 60.1° |
| H14 | C2 | O2 | H18 | 141.0° | 60.0° |
| H15 | C3 | H16 | H17 | 120.0° | 120.0° |
