H1D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | sing | 1.34Å | 1.25Å | |
| O | HO | sing | 0.97Å | 0.95Å | |
| C | OXT | doub | 1.21Å | 1.25Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | HN1A | sing | 1.01Å | 1.00Å | |
| N | HN2 | sing | 1.01Å | 1.00Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CG | SD | sing | 1.81Å | 1.83Å | |
| CG | HG1 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| SD | C5 | sing | 1.81Å | 1.83Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.51Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C2 | O2 | doub | 1.21Å | 1.23Å | |
| C2 | N1 | sing | 1.35Å | 1.33Å | |
| N1 | O1 | sing | 1.42Å | 1.36Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | O | HO | 109.5° | 120.0° |
| O | C | OXT | 126.0° | 120.0° |
| O | C | CA | 116.9° | 120.1° |
| OXT | C | CA | 117.1° | 120.0° |
| C | CA | N | 109.6° | 109.5° |
| C | CA | CB | 110.7° | 109.5° |
| C | CA | HA | 108.8° | 109.5° |
| N | CA | CB | 110.1° | 109.5° |
| N | CA | HA | 109.4° | 109.4° |
| CA | N | HN1A | 109.4° | 106.7° |
| CA | N | HN2 | 109.5° | 106.7° |
| CB | CA | HA | 108.2° | 109.5° |
| CA | CB | CG | 112.6° | 109.5° |
| CA | CB | HB1 | 107.8° | 109.5° |
| CA | CB | HB2 | 108.5° | 109.5° |
| HN1A | N | HN2 | 109.5° | 106.6° |
| CG | CB | HB1 | 107.7° | 109.4° |
| CG | CB | HB2 | 108.4° | 109.5° |
| CB | CG | SD | 113.3° | 109.5° |
| CB | CG | HG1 | 107.3° | 109.4° |
| CB | CG | HG2 | 108.2° | 109.5° |
| HB1 | CB | HB2 | 111.9° | 109.5° |
| SD | CG | HG1 | 107.3° | 109.5° |
| SD | CG | HG2 | 108.2° | 109.5° |
| CG | SD | C5 | 100.4° | 100.0° |
| HG1 | CG | HG2 | 112.5° | 109.5° |
| SD | C5 | C4 | 112.0° | 109.5° |
| SD | C5 | H51 | 108.1° | 109.5° |
| SD | C5 | H52 | 108.6° | 109.5° |
| C4 | C5 | H51 | 108.1° | 109.5° |
| C4 | C5 | H52 | 108.6° | 109.5° |
| C5 | C4 | O4 | 108.4° | 109.4° |
| C5 | C4 | C3 | 112.1° | 109.5° |
| C5 | C4 | H4 | 108.2° | 109.4° |
| H51 | C5 | H52 | 111.5° | 109.4° |
| O4 | C4 | C3 | 108.9° | 109.5° |
| O4 | C4 | H4 | 111.5° | 109.4° |
| C4 | O4 | HO4 | 109.5° | 106.8° |
| C3 | C4 | H4 | 107.7° | 109.5° |
| C4 | C3 | O3 | 109.8° | 109.5° |
| C4 | C3 | C2 | 108.5° | 109.5° |
| C4 | C3 | H3 | 109.7° | 109.4° |
| O3 | C3 | C2 | 108.9° | 109.5° |
| O3 | C3 | H3 | 109.3° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 106.8° |
| C2 | C3 | H3 | 110.6° | 109.5° |
| C3 | C2 | O2 | 120.8° | 120.0° |
| C3 | C2 | N1 | 115.1° | 120.0° |
| O2 | C2 | N1 | 124.1° | 120.0° |
| C2 | N1 | O1 | 120.2° | 120.0° |
| C2 | N1 | HN1 | 119.9° | 119.9° |
| O1 | N1 | HN1 | 119.9° | 120.1° |
| N1 | O1 | HO1 | 109.5° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | OXT | CA | 180.0° | 180.0° |
| O | C | CA | N | 178.6° | 160.0° |
| O | C | CA | CB | 59.7° | 80.0° |
| O | C | CA | HA | 59.1° | 40.0° |
| HO | O | C | OXT | 0.0° | 0.1° |
| HO | O | C | CA | 180.0° | 180.0° |
| OXT | C | CA | N | 1.4° | 20.0° |
| OXT | C | CA | CB | 120.3° | 100.0° |
| OXT | C | CA | HA | 120.9° | 140.0° |
| C | CA | N | CB | 122.0° | 120.0° |
| C | CA | N | HA | 119.1° | 120.0° |
| C | CA | CB | HA | 119.1° | 120.0° |
| C | CA | N | HN1A | 39.5° | 60.0° |
| C | CA | N | HN2 | 159.4° | 173.8° |
| C | CA | CB | CG | 61.0° | 175.0° |
| C | CA | CB | HB1 | 179.7° | 65.0° |
| C | CA | CB | HB2 | 59.0° | 55.0° |
| N | CA | CB | HA | 119.5° | 119.9° |
| CA | N | HN1A | HN2 | 120.0° | 113.8° |
| N | CA | CB | CG | 60.4° | 65.0° |
| N | CA | CB | HB1 | 58.3° | 55.0° |
| N | CA | CB | HB2 | 179.6° | 175.0° |
| CB | CA | N | HN1A | 161.5° | 60.0° |
| CB | CA | N | HN2 | 78.5° | 53.7° |
| CA | CB | CG | HB1 | 118.7° | 120.0° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | HB1 | HB2 | 119.2° | 120.0° |
| CA | CB | CG | SD | 175.4° | 180.0° |
| CA | CB | CG | HG1 | 57.1° | 60.0° |
| CA | CB | CG | HG2 | 64.5° | 60.0° |
| HA | CA | N | HN1A | 79.7° | 179.9° |
| HA | CA | N | HN2 | 40.3° | 66.2° |
| HA | CA | CB | CG | 179.9° | 55.0° |
| HA | CA | CB | HB1 | 61.2° | 175.0° |
| HA | CA | CB | HB2 | 60.1° | 65.0° |
| CG | CB | HB1 | HB2 | 119.1° | 120.0° |
| CB | CG | SD | HG1 | 118.3° | 120.0° |
| CB | CG | SD | HG2 | 120.0° | 120.0° |
| CB | CG | HG1 | HG2 | 118.9° | 120.0° |
| CB | CG | SD | C5 | 75.3° | 180.0° |
| HB1 | CB | CG | SD | 65.9° | 60.0° |
| HB1 | CB | CG | HG1 | 175.8° | 180.0° |
| HB1 | CB | CG | HG2 | 54.1° | 60.0° |
| HB2 | CB | CG | SD | 55.4° | 60.0° |
| HB2 | CB | CG | HG1 | 62.9° | 60.0° |
| HB2 | CB | CG | HG2 | 175.4° | 180.0° |
| SD | CG | HG1 | HG2 | 119.0° | 120.0° |
| CG | SD | C5 | C4 | 118.4° | 180.0° |
| CG | SD | C5 | H51 | 122.7° | 60.0° |
| CG | SD | C5 | H52 | 1.6° | 60.0° |
| HG1 | CG | SD | C5 | 166.4° | 60.0° |
| HG2 | CG | SD | C5 | 44.7° | 60.0° |
| SD | C5 | C4 | H51 | 118.9° | 120.0° |
| SD | C5 | C4 | H52 | 120.0° | 120.0° |
| SD | C5 | H51 | H52 | 119.3° | 119.9° |
| SD | C5 | C4 | O4 | 65.8° | 65.0° |
| SD | C5 | C4 | C3 | 174.0° | 175.0° |
| SD | C5 | C4 | H4 | 55.3° | 55.0° |
| C4 | C5 | H51 | H52 | 119.3° | 120.0° |
| C5 | C4 | O4 | C3 | 122.3° | 120.0° |
| C5 | C4 | O4 | H4 | 119.0° | 119.9° |
| C5 | C4 | C3 | H4 | 119.0° | 120.0° |
| C5 | C4 | O4 | HO4 | 169.7° | 60.0° |
| C5 | C4 | C3 | O3 | 51.1° | 60.0° |
| C5 | C4 | C3 | C2 | 170.0° | 180.0° |
| C5 | C4 | C3 | H3 | 69.1° | 60.0° |
| H51 | C5 | C4 | O4 | 175.3° | 55.0° |
| H51 | C5 | C4 | C3 | 55.0° | 65.0° |
| H51 | C5 | C4 | H4 | 63.7° | 175.0° |
| H52 | C5 | C4 | O4 | 54.2° | 175.0° |
| H52 | C5 | C4 | C3 | 66.1° | 55.0° |
| H52 | C5 | C4 | H4 | 175.3° | 65.0° |
| O4 | C4 | C3 | H4 | 121.0° | 120.0° |
| O4 | C4 | C3 | O3 | 171.1° | 180.0° |
| O4 | C4 | C3 | C2 | 70.0° | 60.0° |
| O4 | C4 | C3 | H3 | 50.9° | 60.0° |
| C3 | C4 | O4 | HO4 | 68.1° | 60.0° |
| C4 | C3 | O3 | C2 | 118.7° | 120.0° |
| C4 | C3 | O3 | H3 | 120.4° | 120.0° |
| C4 | C3 | C2 | H3 | 120.4° | 120.0° |
| C4 | C3 | O3 | HO3 | 65.5° | 60.0° |
| C4 | C3 | C2 | O2 | 99.4° | 115.0° |
| C4 | C3 | C2 | N1 | 79.9° | 65.0° |
| H4 | C4 | O4 | HO4 | 50.7° | 179.9° |
| H4 | C4 | C3 | O3 | 67.9° | 60.0° |
| H4 | C4 | C3 | C2 | 51.0° | 60.0° |
| H4 | C4 | C3 | H3 | 172.0° | 180.0° |
| O3 | C3 | C2 | H3 | 120.1° | 120.0° |
| O3 | C3 | C2 | O2 | 20.1° | 5.0° |
| O3 | C3 | C2 | N1 | 160.6° | 175.0° |
| C2 | C3 | O3 | HO3 | 175.8° | 60.0° |
| C3 | C2 | O2 | N1 | 179.2° | 179.9° |
| C3 | C2 | N1 | O1 | 179.8° | 180.0° |
| C3 | C2 | N1 | HN1 | 0.2° | 0.1° |
| H3 | C3 | O3 | HO3 | 54.9° | 180.0° |
| H3 | C3 | C2 | O2 | 140.2° | 125.0° |
| H3 | C3 | C2 | N1 | 40.5° | 54.9° |
| O2 | C2 | N1 | O1 | 0.5° | 0.1° |
| O2 | C2 | N1 | HN1 | 179.5° | 180.0° |
| C2 | N1 | O1 | HN1 | 180.0° | 180.0° |
| C2 | N1 | O1 | HO1 | 12.6° | 180.0° |
| HN1 | N1 | O1 | HO1 | 167.4° | 0.1° |
