DO2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | sing | 1.34Å | 1.33Å | |
| C | CA | sing | 1.51Å | 1.50Å | |
| N | CA | sing | 1.47Å | 1.45Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| O | HXT | sing | 0.97Å | 0.95Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.53Å | 1.50Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CD | CE | sing | 1.51Å | 1.50Å | |
| CD | O4 | sing | 1.43Å | 1.43Å | |
| CD | O5 | sing | 1.43Å | 1.43Å | |
| CE | OE1 | doub | 1.21Å | 1.22Å | |
| CE | HE | sing | 1.08Å | 1.08Å | |
| CG | CD | sing | 1.53Å | 1.50Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CG | HGA | sing | 1.09Å | 1.10Å | |
| OXT | C | doub | 1.21Å | 1.22Å | |
| O4 | H10 | sing | 0.97Å | 0.95Å | |
| O5 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 115.7° | 120.0° |
| C | O | HXT | 109.5° | 117.0° |
| O | C | OXT | 121.3° | 120.0° |
| C | CA | N | 109.6° | 109.5° |
| C | CA | CB | 111.5° | 109.5° |
| C | CA | HA | 108.1° | 109.4° |
| CA | C | OXT | 123.0° | 120.0° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | CB | 109.6° | 109.5° |
| N | CA | HA | 110.0° | 109.4° |
| H | N | H2 | 109.4° | 110.9° |
| CB | CA | HA | 108.0° | 109.5° |
| CA | CB | CG | 110.1° | 109.5° |
| CA | CB | HB | 109.3° | 109.5° |
| CA | CB | HBA | 109.3° | 109.4° |
| CG | CB | HB | 109.3° | 109.5° |
| CG | CB | HBA | 109.3° | 109.5° |
| CB | CG | CD | 110.0° | 109.5° |
| CB | CG | HG | 109.3° | 109.5° |
| CB | CG | HGA | 109.3° | 109.5° |
| HB | CB | HBA | 109.7° | 109.4° |
| CE | CD | O4 | 107.7° | 109.5° |
| CE | CD | O5 | 105.3° | 109.5° |
| CD | CE | OE1 | 109.3° | 120.0° |
| CD | CE | HE | 125.4° | 120.0° |
| CE | CD | CG | 116.5° | 109.5° |
| O4 | CD | O5 | 114.5° | 109.4° |
| O4 | CD | CG | 107.7° | 109.5° |
| CD | O4 | H10 | 109.5° | 114.0° |
| O5 | CD | CG | 105.3° | 109.4° |
| CD | O5 | H11 | 109.5° | 114.0° |
| OE1 | CE | HE | 125.3° | 120.0° |
| CD | CG | HG | 109.3° | 109.4° |
| CD | CG | HGA | 109.3° | 109.5° |
| HG | CG | HGA | 109.7° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 180.0° | 179.7° |
| O | C | CA | N | 51.4° | 160.0° |
| O | C | CA | CB | 70.2° | 80.0° |
| O | C | CA | HA | 171.2° | 40.0° |
| C | CA | N | CB | 122.7° | 120.0° |
| C | CA | N | HA | 118.7° | 119.9° |
| C | CA | N | H | 180.0° | 63.9° |
| C | CA | N | H2 | 60.0° | 60.0° |
| CA | C | O | HXT | 180.0° | 179.9° |
| C | CA | CB | HA | 118.6° | 120.0° |
| C | CA | CB | CG | 116.7° | 175.0° |
| C | CA | CB | HB | 123.3° | 65.0° |
| C | CA | CB | HBA | 3.3° | 55.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | HA | 119.9° | 120.0° |
| N | CA | CB | CG | 121.8° | 65.0° |
| N | CA | CB | HB | 1.8° | 55.0° |
| N | CA | CB | HBA | 118.2° | 175.0° |
| N | CA | C | OXT | 128.6° | 19.7° |
| H | N | CA | CB | 57.3° | 176.1° |
| H | N | CA | HA | 61.3° | 56.0° |
| H2 | N | CA | CB | 177.3° | 60.0° |
| H2 | N | CA | HA | 58.7° | 179.9° |
| HXT | O | C | OXT | 0.0° | 0.3° |
| CA | CB | CG | HB | 120.0° | 120.0° |
| CA | CB | CG | HBA | 120.0° | 120.0° |
| CA | CB | HB | HBA | 119.8° | 120.0° |
| CA | CB | CG | CD | 175.2° | 180.0° |
| CA | CB | CG | HG | 55.1° | 60.0° |
| CA | CB | CG | HGA | 64.9° | 59.9° |
| CB | CA | C | OXT | 109.9° | 100.3° |
| HA | CA | CB | CG | 1.9° | 55.0° |
| HA | CA | CB | HB | 118.1° | 175.0° |
| HA | CA | CB | HBA | 121.9° | 65.0° |
| HA | CA | C | OXT | 8.7° | 139.7° |
| CG | CB | HB | HBA | 119.8° | 120.0° |
| CB | CG | CD | CE | 5.0° | 180.0° |
| CB | CG | CD | O4 | 126.1° | 59.9° |
| CB | CG | CD | O5 | 111.3° | 60.0° |
| CB | CG | CD | HG | 120.0° | 120.0° |
| CB | CG | CD | HGA | 120.0° | 120.0° |
| CB | CG | HG | HGA | 119.8° | 120.0° |
| HB | CB | CG | CD | 64.9° | 60.0° |
| HB | CB | CG | HG | 175.1° | 180.0° |
| HB | CB | CG | HGA | 55.1° | 60.1° |
| HBA | CB | CG | CD | 55.1° | 60.0° |
| HBA | CB | CG | HG | 64.9° | 60.0° |
| HBA | CB | CG | HGA | 175.1° | 179.9° |
| CE | CD | O4 | O5 | 116.8° | 120.0° |
| CE | CD | O4 | CG | 126.4° | 120.1° |
| CE | CD | O5 | CG | 123.7° | 120.1° |
| CD | CE | OE1 | HE | 180.0° | 180.0° |
| CE | CD | CG | HG | 115.0° | 60.0° |
| CE | CD | CG | HGA | 125.0° | 60.0° |
| CE | CD | O4 | H10 | 15.8° | 60.0° |
| CE | CD | O5 | H11 | 180.0° | 60.0° |
| O4 | CD | O5 | CG | 118.1° | 120.0° |
| O4 | CD | CE | OE1 | 31.2° | 0.0° |
| O4 | CD | CE | HE | 148.8° | 180.0° |
| O4 | CD | CG | HG | 6.1° | 60.1° |
| O4 | CD | CG | HGA | 113.9° | 180.0° |
| O4 | CD | O5 | H11 | 61.9° | 180.0° |
| O5 | CD | CE | OE1 | 153.9° | 120.0° |
| O5 | CD | CE | HE | 26.1° | 60.0° |
| O5 | CD | CG | HG | 128.7° | 180.0° |
| O5 | CD | CG | HGA | 8.7° | 60.1° |
| O5 | CD | O4 | H10 | 132.5° | 180.0° |
| OE1 | CE | CD | CG | 89.8° | 120.0° |
| HE | CE | CD | CG | 90.2° | 60.0° |
| CD | CG | HG | HGA | 119.8° | 120.0° |
| CG | CD | O4 | H10 | 110.7° | 60.1° |
| CG | CD | O5 | H11 | 56.3° | 60.0° |
