DON
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.22Å | 1.26Å | |
| C | OXT | sing | 1.36Å | 1.26Å | |
| C | CA | sing | 1.52Å | 1.57Å | |
| OXT | HXT | sing | 0.98Å | 0.95Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| CA | CB | sing | 1.53Å | 1.55Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 0.99Å | 1.00Å | |
| N | H2 | sing | 0.99Å | 1.00Å | |
| CB | C1E | sing | 1.53Å | 1.56Å | |
| CB | HB2 | sing | 1.10Å | 1.10Å | |
| CB | HB3 | sing | 1.10Å | 1.10Å | |
| C1E | C1D | sing | 1.52Å | 1.53Å | |
| C1E | H1E1 | sing | 1.10Å | 1.10Å | |
| C1E | H1E2 | sing | 1.10Å | 1.10Å | |
| C1D | O1J | doub | 1.23Å | 1.23Å | |
| C1D | C1C | sing | 1.51Å | 1.40Å | |
| C1C | N1B | sing | 1.46Å | 1.32Å | |
| C1C | H1C1 | sing | 1.09Å | 1.10Å | |
| C1C | H1C2 | sing | 1.09Å | 1.10Å | |
| N1B | N1A | doub | 1.25Å | 1.32Å | |
| N1A | H1A1 | sing | 1.03Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | OXT | 124.2° | 122.6° |
| O | C | CA | 116.4° | 125.0° |
| OXT | C | CA | 119.3° | 112.3° |
| C | OXT | HXT | 109.5° | 115.5° |
| C | CA | N | 108.9° | 106.6° |
| C | CA | CB | 116.4° | 111.3° |
| C | CA | HA | 104.4° | 110.3° |
| N | CA | CB | 107.3° | 109.3° |
| N | CA | HA | 114.0° | 107.5° |
| CA | N | H | 109.5° | 117.8° |
| CA | N | H2 | 109.5° | 117.8° |
| CB | CA | HA | 106.1° | 111.6° |
| CA | CB | C1E | 113.8° | 114.3° |
| CA | CB | HB2 | 108.0° | 109.7° |
| CA | CB | HB3 | 107.1° | 109.4° |
| H | N | H2 | 109.5° | 122.9° |
| C1E | CB | HB2 | 108.0° | 107.9° |
| C1E | CB | HB3 | 107.0° | 108.9° |
| CB | C1E | C1D | 109.5° | 113.2° |
| CB | C1E | H1E1 | 109.5° | 111.0° |
| CB | C1E | H1E2 | 109.5° | 109.9° |
| HB2 | CB | HB3 | 113.0° | 106.3° |
| C1D | C1E | H1E1 | 109.5° | 108.7° |
| C1D | C1E | H1E2 | 109.5° | 107.7° |
| C1E | C1D | O1J | 118.1° | 120.5° |
| C1E | C1D | C1C | 126.3° | 116.9° |
| H1E1 | C1E | H1E2 | 109.5° | 106.2° |
| O1J | C1D | C1C | 115.6° | 122.6° |
| C1D | C1C | N1B | 130.7° | 108.3° |
| C1D | C1C | H1C1 | 102.9° | 109.6° |
| C1D | C1C | H1C2 | 98.0° | 109.7° |
| N1B | C1C | H1C1 | 103.0° | 109.8° |
| N1B | C1C | H1C2 | 98.0° | 109.5° |
| C1C | N1B | N1A | 175.4° | 111.7° |
| H1C1 | C1C | H1C2 | 128.1° | 110.0° |
| N1B | N1A | H1A1 | 109.5° | 111.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | OXT | CA | 179.6° | 178.8° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| O | C | CA | N | 65.7° | 3.5° |
| O | C | CA | CB | 172.9° | 115.6° |
| O | C | CA | HA | 56.4° | 120.0° |
| OXT | C | CA | N | 113.9° | 175.2° |
| OXT | C | CA | CB | 7.5° | 65.7° |
| OXT | C | CA | HA | 124.0° | 58.7° |
| CA | C | OXT | HXT | 179.6° | 178.8° |
| C | CA | N | CB | 126.8° | 120.4° |
| C | CA | N | HA | 116.1° | 118.3° |
| C | CA | CB | HA | 115.6° | 123.7° |
| C | CA | N | H | 74.1° | 114.1° |
| C | CA | N | H2 | 165.9° | 79.2° |
| C | CA | CB | C1E | 151.3° | 178.7° |
| C | CA | CB | HB2 | 88.7° | 60.0° |
| C | CA | CB | HB3 | 33.2° | 56.3° |
| N | CA | CB | HA | 122.2° | 118.8° |
| CA | N | H | H2 | 120.0° | 165.9° |
| N | CA | CB | C1E | 86.5° | 63.8° |
| N | CA | CB | HB2 | 33.5° | 57.5° |
| N | CA | CB | HB3 | 155.5° | 173.8° |
| CB | CA | N | H | 52.6° | 125.5° |
| CB | CA | N | H2 | 67.4° | 41.2° |
| CA | CB | C1E | HB2 | 120.0° | 122.3° |
| CA | CB | C1E | HB3 | 118.1° | 122.7° |
| CA | CB | HB2 | HB3 | 118.2° | 118.2° |
| CA | CB | C1E | C1D | 124.9° | 177.7° |
| CA | CB | C1E | H1E1 | 4.9° | 55.2° |
| CA | CB | C1E | H1E2 | 115.1° | 61.9° |
| HA | CA | N | H | 169.8° | 4.2° |
| HA | CA | N | H2 | 49.8° | 162.5° |
| HA | CA | CB | C1E | 35.8° | 55.0° |
| HA | CA | CB | HB2 | 155.7° | 176.3° |
| HA | CA | CB | HB3 | 82.3° | 67.4° |
| C1E | CB | HB2 | HB3 | 118.2° | 116.7° |
| CB | C1E | C1D | H1E1 | 120.0° | 123.8° |
| CB | C1E | C1D | H1E2 | 120.0° | 121.6° |
| CB | C1E | H1E1 | H1E2 | 120.0° | 119.3° |
| CB | C1E | C1D | O1J | 3.8° | 3.4° |
| CB | C1E | C1D | C1C | 176.1° | 176.3° |
| HB2 | CB | C1E | C1D | 115.2° | 60.0° |
| HB2 | CB | C1E | H1E1 | 124.8° | 177.5° |
| HB2 | CB | C1E | H1E2 | 4.8° | 60.4° |
| HB3 | CB | C1E | C1D | 6.8° | 55.1° |
| HB3 | CB | C1E | H1E1 | 113.2° | 67.5° |
| HB3 | CB | C1E | H1E2 | 126.8° | 175.4° |
| C1D | C1E | H1E1 | H1E2 | 120.0° | 115.6° |
| C1E | C1D | O1J | C1C | 179.8° | 179.6° |
| C1E | C1D | C1C | N1B | 0.3° | 179.7° |
| C1E | C1D | C1C | H1C1 | 119.7° | 60.0° |
| C1E | C1D | C1C | H1C2 | 108.1° | 60.8° |
| H1E1 | C1E | C1D | O1J | 116.2° | 120.4° |
| H1E1 | C1E | C1D | C1C | 63.9° | 59.9° |
| H1E2 | C1E | C1D | O1J | 123.8° | 125.0° |
| H1E2 | C1E | C1D | C1C | 56.1° | 54.7° |
| O1J | C1D | C1C | N1B | 179.9° | 0.7° |
| O1J | C1D | C1C | H1C1 | 60.1° | 120.4° |
| O1J | C1D | C1C | H1C2 | 72.1° | 118.8° |
| C1D | C1C | N1B | H1C1 | 120.0° | 119.6° |
| C1D | C1C | N1B | H1C2 | 107.8° | 119.5° |
| C1D | C1C | H1C1 | H1C2 | 111.2° | 120.6° |
| C1D | C1C | N1B | N1A | 178.5° | 179.6° |
| N1B | C1C | H1C1 | H1C2 | 111.2° | 120.5° |
| C1C | N1B | N1A | H1A1 | 119.0° | 180.0° |
| H1C1 | C1C | N1B | N1A | 61.5° | 60.0° |
| H1C2 | C1C | N1B | N1A | 70.7° | 60.8° |
