DTG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA | CB | sing | 1.54Å | 1.54Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | HA1 | sing | 1.10Å | 1.10Å | |
| CA | HA2 | sing | 1.10Å | 1.10Å | |
| CB | CG1 | sing | 1.54Å | 1.53Å | |
| CB | CG2 | sing | 1.54Å | 1.53Å | |
| CB | CG3 | sing | 1.54Å | 1.49Å | |
| CG1 | H11 | sing | 1.10Å | 1.10Å | |
| CG1 | H12 | sing | 1.10Å | 1.10Å | |
| CG1 | H13 | sing | 1.10Å | 1.10Å | |
| CG2 | H21 | sing | 1.10Å | 1.10Å | |
| CG2 | H22 | sing | 1.10Å | 1.10Å | |
| CG2 | H23 | sing | 1.10Å | 1.10Å | |
| CG3 | H31 | sing | 1.10Å | 1.10Å | |
| CG3 | H32 | sing | 1.10Å | 1.10Å | |
| CG3 | H33 | sing | 1.10Å | 1.10Å | |
| C | O | doub | 1.22Å | 1.24Å | |
| C | OXT | sing | 1.36Å | 126.40Å | |
| OXT | HXT | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CB | CA | C | 109.3° | 114.7° |
| CB | CA | HA1 | 109.5° | 110.3° |
| CB | CA | HA2 | 109.6° | 110.8° |
| CA | CB | CG1 | 110.8° | 111.3° |
| CA | CB | CG2 | 110.0° | 108.1° |
| CA | CB | CG3 | 108.8° | 111.1° |
| C | CA | HA1 | 109.6° | 106.6° |
| C | CA | HA2 | 109.5° | 108.8° |
| CA | C | O | 120.3° | 123.9° |
| CA | C | OXT | 92.0° | 112.9° |
| HA1 | CA | HA2 | 109.3° | 105.0° |
| CG1 | CB | CG2 | 109.9° | 108.5° |
| CG1 | CB | CG3 | 107.9° | 109.3° |
| CB | CG1 | H11 | 109.5° | 111.7° |
| CB | CG1 | H12 | 109.5° | 111.1° |
| CB | CG1 | H13 | 109.5° | 111.1° |
| CG2 | CB | CG3 | 109.5° | 108.5° |
| CB | CG2 | H21 | 109.4° | 111.3° |
| CB | CG2 | H22 | 109.5° | 111.2° |
| CB | CG2 | H23 | 109.5° | 111.2° |
| CB | CG3 | H31 | 109.5° | 111.7° |
| CB | CG3 | H32 | 109.5° | 111.1° |
| CB | CG3 | H33 | 109.5° | 111.1° |
| H11 | CG1 | H12 | 109.5° | 107.9° |
| H11 | CG1 | H13 | 109.4° | 107.2° |
| H12 | CG1 | H13 | 109.5° | 107.6° |
| H21 | CG2 | H22 | 109.5° | 107.6° |
| H21 | CG2 | H23 | 109.5° | 107.6° |
| H22 | CG2 | H23 | 109.5° | 107.8° |
| H31 | CG3 | H32 | 109.5° | 107.9° |
| H31 | CG3 | H33 | 109.5° | 107.2° |
| H32 | CG3 | H33 | 109.4° | 107.6° |
| O | C | OXT | 93.2° | 123.2° |
| C | OXT | HXT | 92.0° | 115.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CB | CA | C | HA1 | 120.1° | 122.5° |
| CB | CA | C | HA2 | 120.0° | 124.7° |
| CB | CA | HA1 | HA2 | 120.1° | 119.5° |
| CA | CB | CG1 | CG2 | 121.7° | 118.8° |
| CA | CB | CG1 | CG3 | 119.0° | 123.1° |
| CA | CB | CG2 | CG3 | 119.5° | 120.6° |
| CA | CB | CG1 | H11 | 156.0° | 65.3° |
| CA | CB | CG1 | H12 | 83.9° | 55.3° |
| CA | CB | CG1 | H13 | 36.1° | 175.0° |
| CA | CB | CG2 | H21 | 98.7° | 179.9° |
| CA | CB | CG2 | H22 | 21.3° | 60.0° |
| CA | CB | CG2 | H23 | 141.3° | 60.1° |
| CA | CB | CG3 | H31 | 136.0° | 65.6° |
| CA | CB | CG3 | H32 | 15.9° | 54.9° |
| CA | CB | CG3 | H33 | 104.0° | 174.7° |
| CB | CA | C | O | 74.2° | 87.5° |
| CB | CA | C | OXT | 20.7° | 92.9° |
| C | CA | HA1 | HA2 | 120.0° | 115.4° |
| C | CA | CB | CG1 | 60.2° | 179.5° |
| C | CA | CB | CG2 | 61.5° | 61.4° |
| C | CA | CB | CG3 | 178.6° | 57.5° |
| CA | C | O | OXT | 94.2° | 179.5° |
| CA | C | OXT | HXT | 180.0° | 179.6° |
| HA1 | CA | CB | CG1 | 179.7° | 60.1° |
| HA1 | CA | CB | CG2 | 58.6° | 59.0° |
| HA1 | CA | CB | CG3 | 61.3° | 177.9° |
| HA1 | CA | C | O | 165.7° | 150.0° |
| HA1 | CA | C | OXT | 99.4° | 29.6° |
| HA2 | CA | CB | CG1 | 59.8° | 55.9° |
| HA2 | CA | CB | CG2 | 178.5° | 174.9° |
| HA2 | CA | CB | CG3 | 58.6° | 66.1° |
| HA2 | CA | C | O | 45.8° | 37.2° |
| HA2 | CA | C | OXT | 140.7° | 142.4° |
| CG1 | CB | CG2 | CG3 | 118.3° | 118.6° |
| CB | CG1 | H11 | H12 | 120.0° | 122.4° |
| CB | CG1 | H11 | H13 | 120.0° | 121.9° |
| CB | CG1 | H12 | H13 | 120.0° | 121.8° |
| CG1 | CB | CG2 | H21 | 139.1° | 59.3° |
| CG1 | CB | CG2 | H22 | 100.9° | 179.2° |
| CG1 | CB | CG2 | H23 | 19.1° | 60.7° |
| CG1 | CB | CG3 | H31 | 15.8° | 57.6° |
| CG1 | CB | CG3 | H32 | 104.3° | 178.1° |
| CG1 | CB | CG3 | H33 | 135.8° | 62.1° |
| CG2 | CB | CG1 | H11 | 82.2° | 175.8° |
| CG2 | CB | CG1 | H12 | 37.8° | 63.6° |
| CG2 | CB | CG1 | H13 | 157.8° | 56.2° |
| CB | CG2 | H21 | H22 | 120.0° | 122.0° |
| CB | CG2 | H21 | H23 | 120.0° | 122.1° |
| CB | CG2 | H22 | H23 | 120.0° | 122.1° |
| CG2 | CB | CG3 | H31 | 103.9° | 175.7° |
| CG2 | CB | CG3 | H32 | 136.1° | 63.8° |
| CG2 | CB | CG3 | H33 | 16.2° | 56.0° |
| CG3 | CB | CG1 | H11 | 37.1° | 57.8° |
| CG3 | CB | CG1 | H12 | 157.1° | 178.3° |
| CG3 | CB | CG1 | H13 | 82.9° | 61.9° |
| CG3 | CB | CG2 | H21 | 20.8° | 59.3° |
| CG3 | CB | CG2 | H22 | 140.7° | 60.6° |
| CG3 | CB | CG2 | H23 | 99.3° | 179.3° |
| CB | CG3 | H31 | H32 | 120.0° | 122.4° |
| CB | CG3 | H31 | H33 | 120.0° | 121.9° |
| CB | CG3 | H32 | H33 | 120.0° | 121.9° |
| H11 | CG1 | H12 | H13 | 119.9° | 115.4° |
| H21 | CG2 | H22 | H23 | 120.0° | 115.8° |
| H31 | CG3 | H32 | H33 | 120.0° | 115.4° |
| O | C | OXT | HXT | 59.5° | 0.0° |
