DXX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.34Å | 1.37Å | |
| C1 | OXT | doub | 1.21Å | 1.23Å | |
| C1 | CA | sing | 1.51Å | 1.54Å | |
| O1 | H1 | sing | 0.97Å | 0.96Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | C | sing | 1.51Å | 1.55Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| CB | HB1 | sing | 1.09Å | 1.11Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CB | HB3 | sing | 1.09Å | 1.11Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| C | O2 | sing | 1.34Å | 1.35Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | OXT | 124.0° | 120.0° |
| O1 | C1 | CA | 113.2° | 120.1° |
| C1 | O1 | H1 | 112.0° | 120.1° |
| OXT | C1 | CA | 122.8° | 120.0° |
| C1 | CA | CB | 112.6° | 109.4° |
| C1 | CA | C | 110.9° | 109.5° |
| C1 | CA | HA | 106.3° | 109.5° |
| CB | CA | C | 112.0° | 109.4° |
| CB | CA | HA | 105.3° | 109.5° |
| CA | CB | HB1 | 111.6° | 109.5° |
| CA | CB | HB2 | 111.5° | 109.5° |
| CA | CB | HB3 | 112.3° | 109.5° |
| C | CA | HA | 109.3° | 109.5° |
| CA | C | O | 120.6° | 120.0° |
| CA | C | O2 | 116.5° | 120.1° |
| HB1 | CB | HB2 | 106.8° | 109.5° |
| HB1 | CB | HB3 | 107.1° | 109.5° |
| HB2 | CB | HB3 | 107.2° | 109.5° |
| O | C | O2 | 122.9° | 120.0° |
| C | O2 | HO2 | 116.6° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | OXT | CA | 179.6° | 179.9° |
| O1 | C1 | CA | CB | 58.0° | 60.0° |
| O1 | C1 | CA | C | 68.4° | 180.0° |
| O1 | C1 | CA | HA | 172.8° | 60.0° |
| OXT | C1 | O1 | H1 | 179.8° | 0.1° |
| OXT | C1 | CA | CB | 122.4° | 120.1° |
| OXT | C1 | CA | C | 111.3° | 0.1° |
| OXT | C1 | CA | HA | 7.5° | 119.9° |
| CA | C1 | O1 | H1 | 0.2° | 180.0° |
| C1 | CA | CB | C | 125.8° | 120.0° |
| C1 | CA | CB | HA | 115.5° | 120.0° |
| C1 | CA | C | HA | 117.0° | 120.0° |
| C1 | CA | CB | HB1 | 176.1° | 60.0° |
| C1 | CA | CB | HB2 | 56.7° | 60.0° |
| C1 | CA | CB | HB3 | 63.7° | 180.0° |
| C1 | CA | C | O | 70.7° | 0.1° |
| C1 | CA | C | O2 | 109.6° | 180.0° |
| CB | CA | C | HA | 116.3° | 120.0° |
| CA | CB | HB1 | HB2 | 122.1° | 120.0° |
| CA | CB | HB1 | HB3 | 123.3° | 120.0° |
| CA | CB | HB2 | HB3 | 123.3° | 120.0° |
| CB | CA | C | O | 56.0° | 120.1° |
| CB | CA | C | O2 | 123.7° | 60.0° |
| C | CA | CB | HB1 | 58.2° | 60.0° |
| C | CA | CB | HB2 | 177.5° | 180.0° |
| C | CA | CB | HB3 | 62.1° | 60.0° |
| CA | C | O | O2 | 179.7° | 179.9° |
| CA | C | O2 | HO2 | 180.0° | 180.0° |
| HA | CA | CB | HB1 | 60.6° | 180.0° |
| HA | CA | CB | HB2 | 58.8° | 60.0° |
| HA | CA | CB | HB3 | 179.1° | 60.0° |
| HA | CA | C | O | 172.4° | 119.9° |
| HA | CA | C | O2 | 7.4° | 60.0° |
| HB1 | CB | HB2 | HB3 | 114.6° | 120.0° |
| O | C | O2 | HO2 | 0.3° | 0.1° |
