DMG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C | sing | 1.34Å | 1.24Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| O | C | doub | 1.21Å | 1.27Å | |
| C | CA | sing | 1.51Å | 1.55Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | HA3 | sing | 1.09Å | 1.12Å | |
| CA | HA2 | sing | 1.09Å | 1.11Å | |
| N | C4 | sing | 1.47Å | 1.47Å | |
| N | C5 | sing | 1.47Å | 1.44Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C4 | H43 | sing | 1.09Å | 1.11Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C5 | H53 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | OXT | HXT | 120.7° | 120.0° |
| OXT | C | O | 120.7° | 120.0° |
| OXT | C | CA | 119.9° | 120.0° |
| O | C | CA | 119.4° | 120.0° |
| C | CA | N | 108.9° | 109.5° |
| C | CA | HA3 | 112.4° | 109.5° |
| C | CA | HA2 | 112.4° | 109.5° |
| N | CA | HA3 | 112.4° | 109.4° |
| N | CA | HA2 | 112.4° | 109.5° |
| CA | N | C4 | 104.8° | 106.7° |
| CA | N | C5 | 108.8° | 106.7° |
| HA3 | CA | HA2 | 98.1° | 109.5° |
| C4 | N | C5 | 108.1° | 106.7° |
| N | C4 | H41 | 104.8° | 109.5° |
| N | C4 | H42 | 114.0° | 109.5° |
| N | C4 | H43 | 114.0° | 109.5° |
| N | C5 | H51 | 108.8° | 109.4° |
| N | C5 | H52 | 112.5° | 109.5° |
| N | C5 | H53 | 112.5° | 109.5° |
| H41 | C4 | H42 | 113.9° | 109.4° |
| H41 | C4 | H43 | 113.9° | 109.5° |
| H42 | C4 | H43 | 96.5° | 109.5° |
| H51 | C5 | H52 | 112.4° | 109.5° |
| H51 | C5 | H53 | 112.5° | 109.5° |
| H52 | C5 | H53 | 98.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | O | CA | 179.8° | 179.8° |
| OXT | C | CA | N | 178.8° | 179.9° |
| OXT | C | CA | HA3 | 53.6° | 60.1° |
| OXT | C | CA | HA2 | 55.9° | 59.9° |
| HXT | OXT | C | O | 180.0° | 0.2° |
| HXT | OXT | C | CA | 0.2° | 180.0° |
| O | C | CA | N | 1.3° | 0.1° |
| O | C | CA | HA3 | 126.6° | 120.0° |
| O | C | CA | HA2 | 123.9° | 119.9° |
| C | CA | N | HA3 | 125.2° | 119.9° |
| C | CA | N | HA2 | 125.3° | 120.1° |
| C | CA | HA3 | HA2 | 118.4° | 120.1° |
| C | CA | N | C4 | 87.4° | 179.9° |
| C | CA | N | C5 | 157.2° | 66.1° |
| N | CA | HA3 | HA2 | 118.3° | 120.0° |
| CA | N | C4 | C5 | 116.0° | 113.8° |
| CA | N | C4 | H41 | 180.0° | 180.0° |
| CA | N | C4 | H42 | 54.8° | 60.0° |
| CA | N | C4 | H43 | 54.7° | 60.0° |
| CA | N | C5 | H51 | 180.0° | 66.2° |
| CA | N | C5 | H52 | 54.8° | 173.8° |
| CA | N | C5 | H53 | 54.8° | 53.8° |
| HA3 | CA | N | C4 | 37.8° | 60.0° |
| HA3 | CA | N | C5 | 77.6° | 53.8° |
| HA2 | CA | N | C4 | 147.4° | 60.0° |
| HA2 | CA | N | C5 | 31.9° | 173.8° |
| N | C4 | H41 | H42 | 125.3° | 120.0° |
| N | C4 | H41 | H43 | 125.3° | 120.1° |
| N | C4 | H42 | H43 | 119.9° | 120.1° |
| C4 | N | C5 | H51 | 66.7° | 180.0° |
| C4 | N | C5 | H52 | 58.5° | 60.0° |
| C4 | N | C5 | H53 | 168.1° | 60.0° |
| C5 | N | C4 | H41 | 64.1° | 66.2° |
| C5 | N | C4 | H42 | 170.7° | 173.8° |
| C5 | N | C4 | H43 | 61.2° | 53.8° |
| N | C5 | H51 | H52 | 125.2° | 120.0° |
| N | C5 | H51 | H53 | 125.3° | 120.0° |
| N | C5 | H52 | H53 | 118.4° | 120.0° |
| H41 | C4 | H42 | H43 | 119.8° | 119.9° |
| H51 | C5 | H52 | H53 | 118.4° | 120.0° |
