1HD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | CA | sing | 1.53Å | 1.58Å | |
| CA | CB | sing | 1.53Å | 1.57Å | |
| CA | N | sing | 1.47Å | 1.44Å | |
| CB | N1 | sing | 1.46Å | 1.47Å | |
| OE1 | CD | doub | 1.21Å | 1.22Å | |
| N1 | CD | sing | 1.35Å | 1.34Å | |
| CD | C1 | sing | 1.51Å | 1.55Å | |
| C | O | sing | 1.43Å | 1.80Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| O | H11 | sing | 0.97Å | 0.95Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | CA | CB | 120.2° | 109.5° |
| C | CA | N | 112.4° | 109.5° |
| CA | C | O | 96.0° | 109.5° |
| C | CA | HA | 105.2° | 109.5° |
| CA | C | H12 | 112.7° | 109.5° |
| CA | C | H13 | 112.8° | 109.5° |
| CB | CA | N | 106.0° | 109.4° |
| CA | CB | N1 | 108.2° | 109.5° |
| CB | CA | HA | 105.3° | 109.5° |
| CA | CB | H5 | 109.8° | 109.5° |
| CA | CB | H6 | 109.8° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 106.8° | 109.4° |
| CB | N1 | CD | 119.8° | 120.0° |
| N1 | CB | H5 | 109.8° | 109.4° |
| N1 | CB | H6 | 109.8° | 109.5° |
| CB | N1 | H10 | 120.1° | 120.0° |
| OE1 | CD | N1 | 122.2° | 120.0° |
| OE1 | CD | C1 | 118.7° | 120.0° |
| N1 | CD | C1 | 117.6° | 120.0° |
| CD | N1 | H10 | 120.1° | 120.0° |
| CD | C1 | H7 | 109.5° | 109.5° |
| CD | C1 | H8 | 109.5° | 109.5° |
| CD | C1 | H9 | 109.4° | 109.5° |
| C | O | H11 | 109.5° | 114.0° |
| O | C | H12 | 112.8° | 109.4° |
| O | C | H13 | 112.7° | 109.5° |
| H | N | H2 | 109.5° | 111.1° |
| H5 | CB | H6 | 109.5° | 109.5° |
| H7 | C1 | H8 | 109.5° | 109.4° |
| H7 | C1 | H9 | 109.5° | 109.5° |
| H8 | C1 | H9 | 109.5° | 109.4° |
| H12 | C | H13 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | CA | CB | N | 128.7° | 120.0° |
| C | CA | CB | HA | 118.3° | 120.0° |
| C | CA | N | HA | 114.9° | 120.0° |
| C | CA | CB | N1 | 154.7° | 175.0° |
| CA | C | O | H12 | 117.7° | 120.0° |
| CA | C | O | H13 | 117.7° | 120.1° |
| C | CA | N | H | 180.0° | 59.9° |
| C | CA | N | H2 | 60.0° | 176.0° |
| C | CA | CB | H5 | 85.4° | 55.0° |
| C | CA | CB | H6 | 34.9° | 65.0° |
| CA | C | O | H11 | 180.0° | 180.0° |
| CA | C | H12 | H13 | 126.3° | 120.0° |
| CB | CA | N | HA | 111.9° | 120.0° |
| CA | CB | N1 | H5 | 119.8° | 120.0° |
| CA | CB | N1 | H6 | 119.8° | 120.0° |
| CA | CB | N1 | CD | 167.5° | 180.0° |
| CB | CA | C | O | 41.0° | 175.0° |
| CB | CA | N | H | 46.8° | 60.1° |
| CB | CA | N | H2 | 166.9° | 64.0° |
| CA | CB | H5 | H6 | 120.6° | 120.0° |
| CA | CB | N1 | H10 | 12.5° | 0.0° |
| CB | CA | C | H12 | 158.7° | 55.0° |
| CB | CA | C | H13 | 76.8° | 64.9° |
| N | CA | CB | N1 | 76.5° | 55.0° |
| N | CA | C | O | 84.8° | 65.1° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | H5 | 43.3° | 65.0° |
| N | CA | CB | H6 | 163.6° | 175.0° |
| N | CA | C | H12 | 32.9° | 175.0° |
| N | CA | C | H13 | 157.4° | 55.1° |
| CB | N1 | CD | OE1 | 14.2° | 0.0° |
| CB | N1 | CD | H10 | 180.0° | 179.9° |
| CB | N1 | CD | C1 | 179.7° | 180.0° |
| N1 | CB | CA | HA | 36.4° | 65.0° |
| N1 | CB | H5 | H6 | 120.6° | 119.9° |
| OE1 | CD | N1 | C1 | 165.5° | 180.0° |
| OE1 | CD | C1 | H7 | 0.0° | 90.0° |
| OE1 | CD | C1 | H8 | 120.0° | 150.0° |
| OE1 | CD | C1 | H9 | 120.0° | 30.1° |
| OE1 | CD | N1 | H10 | 165.8° | 180.0° |
| CD | N1 | CB | H5 | 72.7° | 60.0° |
| CD | N1 | CB | H6 | 47.7° | 59.9° |
| N1 | CD | C1 | H7 | 166.0° | 90.0° |
| N1 | CD | C1 | H8 | 74.0° | 30.0° |
| N1 | CD | C1 | H9 | 46.0° | 149.9° |
| CD | C1 | H7 | H8 | 120.0° | 120.1° |
| CD | C1 | H7 | H9 | 120.0° | 120.1° |
| CD | C1 | H8 | H9 | 120.0° | 120.0° |
| C1 | CD | N1 | H10 | 0.3° | 0.0° |
| O | C | CA | HA | 159.3° | 54.9° |
| O | C | H12 | H13 | 126.3° | 120.0° |
| H | N | CA | HA | 65.1° | 179.9° |
| H2 | N | CA | HA | 54.9° | 56.0° |
| HA | CA | CB | H5 | 156.2° | 175.0° |
| HA | CA | CB | H6 | 83.4° | 55.0° |
| HA | CA | C | H12 | 82.9° | 65.0° |
| HA | CA | C | H13 | 41.6° | 175.0° |
| H5 | CB | N1 | H10 | 107.3° | 120.1° |
| H6 | CB | N1 | H10 | 132.3° | 120.0° |
| H7 | C1 | H8 | H9 | 120.0° | 119.9° |
| H11 | O | C | H12 | 62.3° | 60.0° |
| H11 | O | C | H13 | 62.3° | 59.9° |
