SAH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | HN1 | sing | 1.01Å | 1.02Å | |
| N | HN2 | sing | 1.01Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CB | HB1 | sing | 1.09Å | 1.11Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CG | SD | sing | 1.81Å | 1.80Å | |
| CG | HG1 | sing | 1.09Å | 1.11Å | |
| CG | HG2 | sing | 1.09Å | 1.11Å | |
| SD | C5' | sing | 1.81Å | 1.79Å | |
| C | O | doub | 1.21Å | 1.26Å | |
| C | OXT | sing | 1.34Å | 1.26Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.44Å | 1.46Å | |
| C4' | C3' | sing | 1.54Å | 1.62Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| C3' | O3' | sing | 1.43Å | 1.47Å | |
| C3' | C2' | sing | 1.55Å | 1.57Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.46Å | |
| C2' | C1' | sing | 1.55Å | 1.55Å | |
| C2' | H2' | sing | 1.09Å | 1.12Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.46Å | 1.45Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| N9 | C8 | sing | 1.36Å | 1.40Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N7 | C5 | sing | 1.36Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.37Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.34Å | |
| C6 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
| N6 | HN61 | sing | 0.97Å | 1.02Å | |
| N6 | HN62 | sing | 0.97Å | 1.02Å | |
| N1 | C2 | sing | 1.32Å | 1.31Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.31Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | sing | 1.33Å | 1.35Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | HN1 | 109.1° | 106.7° |
| CA | N | HN2 | 112.3° | 106.7° |
| N | CA | CB | 109.1° | 109.5° |
| N | CA | C | 112.3° | 109.4° |
| N | CA | HA | 109.2° | 109.5° |
| HN1 | N | HN2 | 112.4° | 106.7° |
| CB | CA | C | 113.2° | 109.5° |
| CB | CA | HA | 108.2° | 109.4° |
| CA | CB | CG | 110.2° | 109.5° |
| CA | CB | HB1 | 112.0° | 109.4° |
| CA | CB | HB2 | 112.0° | 109.5° |
| C | CA | HA | 104.7° | 109.5° |
| CA | C | O | 115.3° | 120.0° |
| CA | C | OXT | 119.1° | 120.0° |
| CG | CB | HB1 | 111.9° | 109.5° |
| CG | CB | HB2 | 111.9° | 109.5° |
| CB | CG | SD | 118.9° | 109.6° |
| CB | CG | HG1 | 108.8° | 109.5° |
| CB | CG | HG2 | 108.8° | 109.5° |
| HB1 | CB | HB2 | 98.5° | 109.4° |
| SD | CG | HG1 | 108.8° | 109.4° |
| SD | CG | HG2 | 108.8° | 109.4° |
| CG | SD | C5' | 98.2° | 100.1° |
| HG1 | CG | HG2 | 101.2° | 109.4° |
| SD | C5' | C4' | 112.8° | 109.5° |
| SD | C5' | H5'1 | 111.1° | 109.5° |
| SD | C5' | H5'2 | 111.0° | 109.5° |
| O | C | OXT | 121.9° | 119.9° |
| C | OXT | HXT | 119.1° | 120.1° |
| C4' | C5' | H5'1 | 111.0° | 109.4° |
| C4' | C5' | H5'2 | 111.0° | 109.5° |
| C5' | C4' | O4' | 106.3° | 109.8° |
| C5' | C4' | C3' | 117.5° | 109.9° |
| C5' | C4' | H4' | 106.3° | 109.8° |
| H5'1 | C5' | H5'2 | 99.3° | 109.5° |
| O4' | C4' | C3' | 109.5° | 107.5° |
| O4' | C4' | H4' | 114.7° | 109.9° |
| C4' | O4' | C1' | 101.6° | 106.9° |
| C3' | C4' | H4' | 102.8° | 109.9° |
| C4' | C3' | O3' | 113.2° | 110.8° |
| C4' | C3' | C2' | 99.7° | 104.0° |
| C4' | C3' | H3' | 115.7° | 110.5° |
| O4' | C1' | C2' | 106.2° | 103.4° |
| O4' | C1' | N9 | 106.9° | 110.7° |
| O4' | C1' | H1' | 116.3° | 110.6° |
| O3' | C3' | C2' | 115.2° | 110.5° |
| O3' | C3' | H3' | 100.3° | 110.5° |
| C3' | O3' | HO3' | 113.1° | 106.9° |
| C2' | C3' | H3' | 113.6° | 110.5° |
| C3' | C2' | O2' | 120.0° | 110.9° |
| C3' | C2' | C1' | 101.3° | 102.1° |
| C3' | C2' | H2' | 109.9° | 111.0° |
| O2' | C2' | C1' | 113.8° | 110.9° |
| O2' | C2' | H2' | 96.2° | 110.8° |
| C2' | O2' | HO2' | 119.9° | 106.8° |
| C1' | C2' | H2' | 116.5° | 110.9° |
| C2' | C1' | N9 | 117.3° | 110.8° |
| C2' | C1' | H1' | 105.7° | 110.6° |
| N9 | C1' | H1' | 104.9° | 110.5° |
| C1' | N9 | C8 | 128.6° | 126.3° |
| C1' | N9 | C4 | 123.2° | 126.3° |
| C8 | N9 | C4 | 106.7° | 107.4° |
| N9 | C8 | N7 | 112.4° | 110.0° |
| N9 | C8 | H8 | 127.1° | 125.0° |
| N9 | C4 | C5 | 105.1° | 106.0° |
| N9 | C4 | N3 | 127.0° | 135.0° |
| N7 | C8 | H8 | 120.5° | 125.0° |
| C8 | N7 | C5 | 103.9° | 109.4° |
| N7 | C5 | C6 | 132.4° | 134.7° |
| N7 | C5 | C4 | 111.5° | 107.1° |
| C6 | C5 | C4 | 115.9° | 118.2° |
| C5 | C6 | N6 | 120.8° | 120.8° |
| C5 | C6 | N1 | 117.2° | 118.5° |
| C5 | C4 | N3 | 127.7° | 119.0° |
| N6 | C6 | N1 | 121.9° | 120.7° |
| C6 | N6 | HN61 | 120.8° | 120.0° |
| C6 | N6 | HN62 | 108.2° | 120.0° |
| C6 | N1 | C2 | 120.2° | 121.1° |
| HN61 | N6 | HN62 | 108.1° | 120.0° |
| N1 | C2 | N3 | 128.5° | 122.4° |
| N1 | C2 | H2 | 115.8° | 118.7° |
| N3 | C2 | H2 | 115.7° | 118.9° |
| C2 | N3 | C4 | 109.9° | 120.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | HN1 | HN2 | 125.3° | 113.8° |
| N | CA | CB | C | 125.9° | 120.0° |
| N | CA | CB | HA | 118.6° | 120.0° |
| N | CA | C | HA | 118.3° | 120.0° |
| N | CA | CB | CG | 54.4° | 60.0° |
| N | CA | CB | HB1 | 70.8° | 60.0° |
| N | CA | CB | HB2 | 179.6° | 180.0° |
| N | CA | C | O | 45.5° | 30.0° |
| N | CA | C | OXT | 155.9° | 150.1° |
| HN1 | N | CA | CB | 180.0° | 53.8° |
| HN1 | N | CA | C | 53.6° | 173.8° |
| HN1 | N | CA | HA | 62.0° | 66.2° |
| HN2 | N | CA | CB | 54.7° | 60.0° |
| HN2 | N | CA | C | 178.9° | 60.0° |
| HN2 | N | CA | HA | 63.3° | 179.9° |
| CB | CA | C | HA | 117.6° | 120.0° |
| CA | CB | CG | HB1 | 125.3° | 120.0° |
| CA | CB | CG | HB2 | 125.3° | 120.0° |
| CA | CB | HB1 | HB2 | 117.9° | 119.9° |
| CA | CB | CG | SD | 172.6° | 180.0° |
| CA | CB | CG | HG1 | 47.3° | 59.9° |
| CA | CB | CG | HG2 | 62.2° | 60.0° |
| CB | CA | C | O | 169.6° | 90.0° |
| CB | CA | C | OXT | 31.8° | 89.9° |
| C | CA | CB | CG | 179.7° | 180.0° |
| C | CA | CB | HB1 | 55.0° | 60.0° |
| C | CA | CB | HB2 | 54.5° | 60.0° |
| CA | C | O | OXT | 158.0° | 179.9° |
| CA | C | OXT | HXT | 180.0° | 179.9° |
| HA | CA | CB | CG | 64.2° | 60.0° |
| HA | CA | CB | HB1 | 170.6° | 180.0° |
| HA | CA | CB | HB2 | 61.0° | 60.0° |
| HA | CA | C | O | 72.8° | 150.1° |
| HA | CA | C | OXT | 85.8° | 30.1° |
| CG | CB | HB1 | HB2 | 117.8° | 120.0° |
| CB | CG | SD | HG1 | 125.3° | 120.1° |
| CB | CG | SD | HG2 | 125.3° | 120.0° |
| CB | CG | HG1 | HG2 | 114.5° | 120.0° |
| CB | CG | SD | C5' | 171.7° | 180.0° |
| HB1 | CB | CG | SD | 62.2° | 60.0° |
| HB1 | CB | CG | HG1 | 172.6° | 180.0° |
| HB1 | CB | CG | HG2 | 63.1° | 60.0° |
| HB2 | CB | CG | SD | 47.3° | 60.0° |
| HB2 | CB | CG | HG1 | 78.0° | 60.1° |
| HB2 | CB | CG | HG2 | 172.5° | 180.0° |
| SD | CG | HG1 | HG2 | 114.5° | 119.9° |
| CG | SD | C5' | C4' | 66.5° | 180.0° |
| CG | SD | C5' | H5'1 | 58.8° | 60.0° |
| CG | SD | C5' | H5'2 | 168.2° | 60.0° |
| HG1 | CG | SD | C5' | 46.4° | 59.9° |
| HG2 | CG | SD | C5' | 63.0° | 59.9° |
| SD | C5' | C4' | H5'1 | 125.3° | 120.0° |
| SD | C5' | C4' | H5'2 | 125.3° | 120.0° |
| SD | C5' | H5'1 | H5'2 | 116.9° | 120.0° |
| SD | C5' | C4' | O4' | 170.9° | 61.6° |
| SD | C5' | C4' | C3' | 66.1° | 179.7° |
| SD | C5' | C4' | H4' | 48.3° | 59.3° |
| O | C | OXT | HXT | 22.9° | 0.2° |
| C4' | C5' | H5'1 | H5'2 | 116.8° | 120.0° |
| C5' | C4' | O4' | C3' | 127.9° | 119.5° |
| C5' | C4' | O4' | H4' | 117.1° | 120.9° |
| C5' | C4' | C3' | H4' | 116.2° | 120.9° |
| C5' | C4' | O4' | C1' | 157.9° | 146.0° |
| C5' | C4' | C3' | O3' | 112.8° | 119.9° |
| C5' | C4' | C3' | C2' | 124.3° | 121.4° |
| C5' | C4' | C3' | H3' | 2.1° | 2.9° |
| H5'1 | C5' | C4' | O4' | 45.6° | 58.3° |
| H5'1 | C5' | C4' | C3' | 168.6° | 59.7° |
| H5'1 | C5' | C4' | H4' | 77.1° | 179.3° |
| H5'2 | C5' | C4' | O4' | 63.8° | 178.3° |
| H5'2 | C5' | C4' | C3' | 59.2° | 60.3° |
| H5'2 | C5' | C4' | H4' | 173.5° | 60.7° |
| O4' | C4' | C3' | H4' | 122.4° | 119.6° |
| O4' | C4' | C3' | O3' | 125.8° | 120.6° |
| O4' | C4' | C3' | C2' | 2.9° | 2.0° |
| O4' | C4' | C3' | H3' | 119.3° | 116.6° |
| C4' | O4' | C1' | C2' | 46.4° | 40.1° |
| C4' | O4' | C1' | N9 | 172.3° | 158.8° |
| C4' | O4' | C1' | H1' | 70.9° | 78.4° |
| C3' | C4' | O4' | C1' | 30.0° | 26.5° |
| C4' | C3' | O3' | C2' | 113.8° | 114.7° |
| C4' | C3' | O3' | H3' | 123.8° | 122.8° |
| C4' | C3' | C2' | H3' | 123.6° | 118.5° |
| C4' | C3' | O3' | HO3' | 180.0° | 176.2° |
| C4' | C3' | C2' | O2' | 149.1° | 139.2° |
| C4' | C3' | C2' | C1' | 22.9° | 21.0° |
| C4' | C3' | C2' | H2' | 100.9° | 97.3° |
| H4' | C4' | O4' | C1' | 85.0° | 93.1° |
| H4' | C4' | C3' | O3' | 3.4° | 1.1° |
| H4' | C4' | C3' | C2' | 119.5° | 117.6° |
| H4' | C4' | C3' | H3' | 118.4° | 123.9° |
| O4' | C1' | C2' | C3' | 44.8° | 37.1° |
| O4' | C1' | C2' | O2' | 175.0° | 155.3° |
| O4' | C1' | C2' | N9 | 119.4° | 118.6° |
| O4' | C1' | C2' | H1' | 124.1° | 118.5° |
| O4' | C1' | C2' | H2' | 74.4° | 81.2° |
| O4' | C1' | N9 | H1' | 124.1° | 122.9° |
| O4' | C1' | N9 | C8 | 72.6° | 28.5° |
| O4' | C1' | N9 | C4 | 123.0° | 151.8° |
| O3' | C3' | C2' | H3' | 114.9° | 122.6° |
| O3' | C3' | C2' | O2' | 27.7° | 20.3° |
| O3' | C3' | C2' | C1' | 98.5° | 97.9° |
| O3' | C3' | C2' | H2' | 137.6° | 143.8° |
| C2' | C3' | O3' | HO3' | 66.2° | 61.5° |
| C3' | C2' | O2' | C1' | 120.1° | 112.7° |
| C3' | C2' | O2' | H2' | 117.3° | 123.7° |
| C3' | C2' | C1' | H2' | 119.2° | 118.3° |
| C3' | C2' | O2' | HO2' | 180.0° | 67.2° |
| C3' | C2' | C1' | N9 | 164.2° | 155.7° |
| C3' | C2' | C1' | H1' | 79.3° | 81.4° |
| H3' | C3' | O3' | HO3' | 56.2° | 61.0° |
| H3' | C3' | C2' | O2' | 87.3° | 102.3° |
| H3' | C3' | C2' | C1' | 146.5° | 139.5° |
| H3' | C3' | C2' | H2' | 22.7° | 21.3° |
| O2' | C2' | C1' | H2' | 110.7° | 123.5° |
| O2' | C2' | C1' | N9 | 65.7° | 86.1° |
| O2' | C2' | C1' | H1' | 50.8° | 36.8° |
| C1' | C2' | O2' | HO2' | 59.9° | 180.0° |
| C2' | C1' | N9 | H1' | 117.0° | 123.0° |
| C2' | C1' | N9 | C8 | 46.3° | 85.6° |
| C2' | C1' | N9 | C4 | 118.1° | 94.1° |
| H2' | C2' | O2' | HO2' | 62.7° | 56.4° |
| H2' | C2' | C1' | N9 | 45.0° | 37.4° |
| H2' | C2' | C1' | H1' | 161.5° | 160.3° |
| C1' | N9 | C8 | C4 | 166.4° | 179.7° |
| C1' | N9 | C8 | N7 | 168.6° | 180.0° |
| C1' | N9 | C8 | H8 | 11.4° | 0.0° |
| C1' | N9 | C4 | C5 | 173.1° | 179.9° |
| C1' | N9 | C4 | N3 | 2.0° | 0.8° |
| H1' | C1' | N9 | C8 | 163.3° | 151.4° |
| H1' | C1' | N9 | C4 | 1.1° | 28.9° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 2.3° | 0.0° |
| C8 | N9 | C4 | C5 | 5.7° | 0.4° |
| C8 | N9 | C4 | N3 | 169.3° | 179.5° |
| C4 | N9 | C8 | N7 | 2.2° | 0.3° |
| C4 | N9 | C8 | H8 | 177.8° | 179.7° |
| N9 | C4 | C5 | N7 | 7.5° | 0.4° |
| N9 | C4 | C5 | C6 | 177.7° | 179.8° |
| N9 | C4 | C5 | N3 | 175.0° | 179.2° |
| N9 | C4 | N3 | C2 | 175.9° | 179.5° |
| C8 | N7 | C5 | C6 | 179.8° | 180.0° |
| C8 | N7 | C5 | C4 | 6.1° | 0.3° |
| H8 | C8 | N7 | C5 | 177.7° | 180.0° |
| N7 | C5 | C6 | C4 | 173.5° | 179.7° |
| N7 | C5 | C6 | N6 | 8.0° | 0.0° |
| N7 | C5 | C6 | N1 | 167.5° | 180.0° |
| N7 | C5 | C4 | N3 | 167.5° | 179.7° |
| C5 | C6 | N6 | N1 | 175.2° | 180.0° |
| C5 | C6 | N6 | HN61 | 180.0° | 180.0° |
| C5 | C6 | N6 | HN62 | 54.7° | 0.1° |
| C5 | C6 | N1 | C2 | 0.4° | 0.0° |
| C6 | C5 | C4 | N3 | 7.3° | 0.6° |
| C4 | C5 | C6 | N6 | 178.5° | 179.7° |
| C4 | C5 | C6 | N1 | 6.0° | 0.3° |
| C5 | C4 | N3 | C2 | 2.0° | 0.6° |
| C6 | N6 | HN61 | HN62 | 125.3° | 179.9° |
| N6 | C6 | N1 | C2 | 175.8° | 180.0° |
| N1 | C6 | N6 | HN61 | 4.7° | 0.0° |
| N1 | C6 | N6 | HN62 | 120.5° | 179.9° |
| C6 | N1 | C2 | N3 | 5.9° | 0.0° |
| C6 | N1 | C2 | H2 | 174.1° | 180.0° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 5.0° | 0.3° |
| H2 | C2 | N3 | C4 | 175.0° | 179.7° |
