S4M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA | N | sing | 1.44Å | 1.46Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CA | HA1 | sing | 1.09Å | 1.10Å | |
| CA | HA2 | sing | 1.09Å | 1.10Å | |
| N | HN1 | sing | 1.01Å | 1.00Å | |
| N | HN2 | sing | 1.01Å | 1.00Å | |
| CB | CG | sing | 1.52Å | 1.52Å | |
| CB | HB1 | sing | 1.10Å | 1.10Å | |
| CB | HB2 | sing | 1.10Å | 1.10Å | |
| CG | SD | sing | 1.77Å | 1.82Å | |
| CG | HG1 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| SD | CE | sing | 1.77Å | 1.81Å | |
| SD | C5' | sing | 1.76Å | 1.85Å | |
| SD | HSD | sing | 1.35Å | 1.30Å | |
| CE | HE1 | sing | 1.09Å | 1.10Å | |
| CE | HE2 | sing | 1.09Å | 1.10Å | |
| CE | HE3 | sing | 1.09Å | 1.10Å | |
| C5' | C4' | sing | 1.52Å | 1.53Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C4' | C3' | sing | 1.52Å | 1.53Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | H4' | sing | 1.10Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| C1' | C2' | sing | 1.53Å | 1.52Å | |
| C1' | N9 | sing | 1.46Å | 1.49Å | |
| C1' | H1' | sing | 1.10Å | 1.10Å | |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| C2' | C3' | sing | 1.52Å | 1.54Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C3' | O3' | sing | 1.41Å | 1.41Å | |
| C3' | H3' | sing | 1.10Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| N9 | C8 | sing | 1.37Å | 1.37Å | Aromatic |
| C8 | N7 | doub | 1.32Å | 1.35Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N7 | C5 | sing | 1.37Å | 1.35Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | N1 | doub | 1.36Å | 1.39Å | Aromatic |
| C6 | N6 | sing | 1.41Å | 1.33Å | |
| N6 | HN61 | sing | 1.00Å | 1.00Å | |
| N6 | HN62 | sing | 1.00Å | 1.00Å | |
| C4 | N3 | sing | 1.34Å | 1.37Å | Aromatic |
| N3 | C2 | doub | 1.35Å | 1.37Å | Aromatic |
| C2 | N1 | sing | 1.35Å | 1.38Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | CB | 108.5° | 112.5° |
| N | CA | HA1 | 109.8° | 107.8° |
| N | CA | HA2 | 110.1° | 106.9° |
| CA | N | HN1 | 109.5° | 119.2° |
| CA | N | HN2 | 109.4° | 119.2° |
| CB | CA | HA1 | 109.8° | 111.1° |
| CB | CA | HA2 | 110.0° | 110.0° |
| CA | CB | CG | 111.8° | 112.4° |
| CA | CB | HB1 | 108.7° | 108.8° |
| CA | CB | HB2 | 108.2° | 110.0° |
| HA1 | CA | HA2 | 108.7° | 108.3° |
| HN1 | N | HN2 | 109.5° | 120.2° |
| CG | CB | HB1 | 108.7° | 109.2° |
| CG | CB | HB2 | 108.2° | 109.6° |
| CB | CG | SD | 114.4° | 111.3° |
| CB | CG | HG1 | 107.9° | 111.3° |
| CB | CG | HG2 | 106.7° | 111.7° |
| HB1 | CB | HB2 | 111.3° | 106.6° |
| SD | CG | HG1 | 107.9° | 106.9° |
| SD | CG | HG2 | 106.8° | 106.6° |
| CG | SD | CE | 100.6° | 106.2° |
| CG | SD | C5' | 94.5° | 105.9° |
| CG | SD | HSD | 121.2° | 112.5° |
| HG1 | CG | HG2 | 113.4° | 108.8° |
| CE | SD | C5' | 103.0° | 106.5° |
| CE | SD | HSD | 114.5° | 112.3° |
| SD | CE | HE1 | 109.5° | 108.4° |
| SD | CE | HE2 | 109.5° | 108.4° |
| SD | CE | HE3 | 109.5° | 108.4° |
| C5' | SD | HSD | 119.3° | 112.9° |
| SD | C5' | C4' | 116.1° | 111.2° |
| SD | C5' | H5'1 | 107.3° | 107.5° |
| SD | C5' | H5'2 | 105.8° | 107.6° |
| HE1 | CE | HE2 | 109.5° | 110.5° |
| HE1 | CE | HE3 | 109.5° | 110.5° |
| HE2 | CE | HE3 | 109.5° | 110.5° |
| C4' | C5' | H5'1 | 107.3° | 110.5° |
| C4' | C5' | H5'2 | 105.8° | 110.5° |
| C5' | C4' | C3' | 114.1° | 113.5° |
| C5' | C4' | O4' | 116.6° | 109.8° |
| C5' | C4' | H4' | 99.3° | 108.7° |
| H5'1 | C5' | H5'2 | 114.8° | 109.5° |
| C3' | C4' | O4' | 104.4° | 105.2° |
| C3' | C4' | H4' | 112.7° | 111.2° |
| C4' | C3' | C2' | 105.2° | 102.2° |
| C4' | C3' | O3' | 102.8° | 112.2° |
| C4' | C3' | H3' | 116.7° | 110.2° |
| O4' | C4' | H4' | 110.0° | 108.3° |
| C4' | O4' | C1' | 108.9° | 108.3° |
| O4' | C1' | C2' | 102.3° | 107.6° |
| O4' | C1' | N9 | 110.7° | 109.4° |
| O4' | C1' | H1' | 116.4° | 108.2° |
| C2' | C1' | N9 | 117.2° | 113.7° |
| C2' | C1' | H1' | 109.7° | 112.6° |
| C1' | C2' | O2' | 108.9° | 109.3° |
| C1' | C2' | C3' | 102.3° | 102.9° |
| C1' | C2' | H2' | 116.8° | 114.0° |
| N9 | C1' | H1' | 101.2° | 105.2° |
| C1' | N9 | C4 | 125.3° | 126.9° |
| C1' | N9 | C8 | 127.2° | 126.1° |
| O2' | C2' | C3' | 115.9° | 111.2° |
| O2' | C2' | H2' | 103.5° | 106.9° |
| C2' | O2' | HO2' | 109.5° | 107.3° |
| C3' | C2' | H2' | 110.0° | 112.6° |
| C2' | C3' | O3' | 110.9° | 113.5° |
| C2' | C3' | H3' | 109.4° | 109.5° |
| O3' | C3' | H3' | 111.5° | 109.0° |
| C3' | O3' | HO3' | 109.5° | 106.4° |
| C4 | N9 | C8 | 107.3° | 107.0° |
| N9 | C4 | C5 | 107.3° | 105.2° |
| N9 | C4 | N3 | 132.3° | 127.5° |
| N9 | C8 | N7 | 109.2° | 112.2° |
| N9 | C8 | H8 | 125.4° | 122.2° |
| N7 | C8 | H8 | 125.4° | 125.6° |
| C8 | N7 | C5 | 108.5° | 104.8° |
| N7 | C5 | C4 | 107.7° | 110.8° |
| N7 | C5 | C6 | 133.0° | 132.4° |
| C4 | C5 | C6 | 119.3° | 116.9° |
| C5 | C4 | N3 | 120.5° | 127.2° |
| C5 | C6 | N1 | 118.7° | 119.1° |
| C5 | C6 | N6 | 121.6° | 120.7° |
| N1 | C6 | N6 | 119.7° | 120.2° |
| C6 | N1 | C2 | 121.7° | 117.5° |
| C6 | N6 | HN61 | 109.5° | 119.5° |
| C6 | N6 | HN62 | 109.4° | 119.4° |
| HN61 | N6 | HN62 | 109.5° | 120.8° |
| C4 | N3 | C2 | 120.7° | 110.5° |
| N3 | C2 | N1 | 119.1° | 128.9° |
| N3 | C2 | H2 | 120.5° | 115.6° |
| N1 | C2 | H2 | 120.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | CB | HA1 | 120.0° | 121.0° |
| N | CA | CB | HA2 | 120.4° | 119.1° |
| N | CA | HA1 | HA2 | 120.5° | 115.4° |
| CA | N | HN1 | HN2 | 120.0° | 166.4° |
| N | CA | CB | CG | 80.8° | 179.0° |
| N | CA | CB | HB1 | 159.2° | 57.9° |
| N | CA | CB | HB2 | 38.2° | 58.5° |
| CB | CA | HA1 | HA2 | 120.4° | 120.9° |
| CB | CA | N | HN1 | 29.4° | 128.8° |
| CB | CA | N | HN2 | 149.4° | 37.7° |
| CA | CB | CG | HB1 | 120.0° | 120.9° |
| CA | CB | CG | HB2 | 119.0° | 122.6° |
| CA | CB | HB1 | HB2 | 119.0° | 118.5° |
| CA | CB | CG | SD | 105.9° | 179.1° |
| CA | CB | CG | HG1 | 134.1° | 60.0° |
| CA | CB | CG | HG2 | 12.0° | 61.9° |
| HA1 | CA | N | HN1 | 149.4° | 6.0° |
| HA1 | CA | N | HN2 | 90.6° | 160.6° |
| HA1 | CA | CB | CG | 39.2° | 60.0° |
| HA1 | CA | CB | HB1 | 80.8° | 178.9° |
| HA1 | CA | CB | HB2 | 158.2° | 62.4° |
| HA2 | CA | N | HN1 | 91.0° | 110.3° |
| HA2 | CA | N | HN2 | 29.0° | 83.2° |
| HA2 | CA | CB | CG | 158.8° | 59.9° |
| HA2 | CA | CB | HB1 | 38.8° | 61.2° |
| HA2 | CA | CB | HB2 | 82.2° | 177.7° |
| CG | CB | HB1 | HB2 | 119.1° | 118.4° |
| CB | CG | SD | HG1 | 120.0° | 121.7° |
| CB | CG | SD | HG2 | 117.8° | 122.0° |
| CB | CG | HG1 | HG2 | 118.0° | 123.5° |
| CB | CG | SD | CE | 58.5° | 178.3° |
| CB | CG | SD | C5' | 162.7° | 68.6° |
| CB | CG | SD | HSD | 68.9° | 55.1° |
| HB1 | CB | CG | SD | 134.1° | 58.2° |
| HB1 | CB | CG | HG1 | 14.2° | 60.9° |
| HB1 | CB | CG | HG2 | 108.0° | 177.3° |
| HB2 | CB | CG | SD | 13.1° | 58.3° |
| HB2 | CB | CG | HG1 | 106.9° | 177.4° |
| HB2 | CB | CG | HG2 | 131.0° | 60.8° |
| SD | CG | HG1 | HG2 | 118.0° | 114.8° |
| CG | SD | CE | C5' | 97.2° | 112.5° |
| CG | SD | CE | HSD | 131.7° | 123.4° |
| CG | SD | C5' | HSD | 129.8° | 123.5° |
| CG | SD | CE | HE1 | 40.7° | 21.7° |
| CG | SD | CE | HE2 | 79.4° | 141.6° |
| CG | SD | CE | HE3 | 160.7° | 98.3° |
| CG | SD | C5' | C4' | 177.8° | 176.6° |
| CG | SD | C5' | H5'1 | 62.2° | 62.3° |
| CG | SD | C5' | H5'2 | 60.8° | 55.5° |
| HG1 | CG | SD | CE | 61.5° | 60.0° |
| HG1 | CG | SD | C5' | 42.7° | 53.0° |
| HG1 | CG | SD | HSD | 171.1° | 176.8° |
| HG2 | CG | SD | CE | 176.4° | 56.3° |
| HG2 | CG | SD | C5' | 79.5° | 169.3° |
| HG2 | CG | SD | HSD | 48.9° | 66.9° |
| CE | SD | C5' | HSD | 128.2° | 123.7° |
| SD | CE | HE1 | HE2 | 120.0° | 118.7° |
| SD | CE | HE1 | HE3 | 120.0° | 118.7° |
| SD | CE | HE2 | HE3 | 120.0° | 118.7° |
| CE | SD | C5' | C4' | 75.8° | 63.8° |
| CE | SD | C5' | H5'1 | 164.2° | 175.1° |
| CE | SD | C5' | H5'2 | 41.2° | 57.3° |
| C5' | SD | CE | HE1 | 56.6° | 134.2° |
| C5' | SD | CE | HE2 | 176.6° | 105.8° |
| C5' | SD | CE | HE3 | 63.4° | 14.2° |
| SD | C5' | C4' | H5'1 | 120.0° | 119.3° |
| SD | C5' | C4' | H5'2 | 117.0° | 119.4° |
| SD | C5' | H5'1 | H5'2 | 117.3° | 116.6° |
| SD | C5' | C4' | C3' | 84.4° | 179.4° |
| SD | C5' | C4' | O4' | 153.6° | 61.9° |
| SD | C5' | C4' | H4' | 35.7° | 56.3° |
| HSD | SD | CE | HE1 | 172.4° | 101.7° |
| HSD | SD | CE | HE2 | 52.3° | 18.3° |
| HSD | SD | CE | HE3 | 67.6° | 138.3° |
| HSD | SD | C5' | C4' | 52.4° | 59.9° |
| HSD | SD | C5' | H5'1 | 67.6° | 61.1° |
| HSD | SD | C5' | H5'2 | 169.4° | 178.9° |
| HE1 | CE | HE2 | HE3 | 120.0° | 122.6° |
| C4' | C5' | H5'1 | H5'2 | 117.3° | 121.9° |
| C5' | C4' | C3' | O4' | 128.5° | 120.1° |
| C5' | C4' | C3' | H4' | 112.2° | 122.9° |
| C5' | C4' | O4' | H4' | 111.9° | 118.5° |
| C5' | C4' | O4' | C1' | 155.0° | 148.9° |
| C5' | C4' | C3' | C2' | 131.2° | 157.1° |
| C5' | C4' | C3' | O3' | 112.6° | 80.9° |
| C5' | C4' | C3' | H3' | 9.7° | 40.7° |
| H5'1 | C5' | C4' | C3' | 155.6° | 60.1° |
| H5'1 | C5' | C4' | O4' | 33.6° | 57.4° |
| H5'1 | C5' | C4' | H4' | 84.3° | 175.7° |
| H5'2 | C5' | C4' | C3' | 32.6° | 61.2° |
| H5'2 | C5' | C4' | O4' | 89.4° | 178.7° |
| H5'2 | C5' | C4' | H4' | 152.7° | 63.0° |
| C3' | C4' | O4' | H4' | 121.1° | 119.0° |
| C3' | C4' | O4' | C1' | 28.0° | 26.4° |
| C4' | C3' | C2' | C1' | 21.0° | 32.8° |
| C4' | C3' | C2' | O2' | 139.3° | 84.1° |
| C4' | C3' | C2' | O3' | 110.5° | 121.0° |
| C4' | C3' | C2' | H3' | 126.1° | 116.9° |
| C4' | C3' | C2' | H2' | 103.8° | 156.0° |
| C4' | C3' | O3' | H3' | 125.8° | 122.4° |
| C4' | C3' | O3' | HO3' | 175.6° | 124.2° |
| C4' | O4' | C1' | C2' | 41.9° | 5.0° |
| C4' | O4' | C1' | N9 | 167.5° | 129.0° |
| C4' | O4' | C1' | H1' | 77.7° | 116.9° |
| O4' | C4' | C3' | C2' | 2.7° | 37.0° |
| O4' | C4' | C3' | O3' | 118.9° | 159.0° |
| O4' | C4' | C3' | H3' | 118.7° | 79.3° |
| H4' | C4' | O4' | C1' | 93.1° | 92.6° |
| H4' | C4' | C3' | C2' | 116.6° | 79.9° |
| H4' | C4' | C3' | O3' | 0.4° | 42.0° |
| H4' | C4' | C3' | H3' | 122.0° | 163.7° |
| O4' | C1' | C2' | N9 | 121.2° | 121.3° |
| O4' | C1' | C2' | H1' | 124.1° | 119.2° |
| O4' | C1' | N9 | H1' | 124.0° | 116.0° |
| O4' | C1' | C2' | O2' | 160.5° | 100.1° |
| O4' | C1' | C2' | C3' | 37.4° | 18.1° |
| O4' | C1' | C2' | H2' | 82.8° | 140.4° |
| O4' | C1' | N9 | C4 | 101.0° | 146.1° |
| O4' | C1' | N9 | C8 | 74.6° | 33.9° |
| C2' | C1' | N9 | H1' | 119.3° | 123.6° |
| C1' | C2' | O2' | C3' | 114.6° | 112.9° |
| C1' | C2' | O2' | H2' | 125.0° | 123.8° |
| C1' | C2' | C3' | H2' | 124.8° | 123.2° |
| C1' | C2' | O2' | HO2' | 131.6° | 47.5° |
| C1' | C2' | C3' | O3' | 89.5° | 153.8° |
| C1' | C2' | C3' | H3' | 147.1° | 84.1° |
| C2' | C1' | N9 | C4 | 142.3° | 93.6° |
| C2' | C1' | N9 | C8 | 42.1° | 86.4° |
| N9 | C1' | C2' | O2' | 78.3° | 138.5° |
| N9 | C1' | C2' | C3' | 158.6° | 103.2° |
| N9 | C1' | C2' | H2' | 38.5° | 19.0° |
| C1' | N9 | C4 | C8 | 176.3° | 180.0° |
| C1' | N9 | C8 | N7 | 178.8° | 180.0° |
| C1' | N9 | C8 | H8 | 1.2° | 0.0° |
| C1' | N9 | C4 | C5 | 177.5° | 180.0° |
| C1' | N9 | C4 | N3 | 3.7° | 0.0° |
| H1' | C1' | C2' | O2' | 36.3° | 19.1° |
| H1' | C1' | C2' | C3' | 86.8° | 137.3° |
| H1' | C1' | C2' | H2' | 153.1° | 100.5° |
| H1' | C1' | N9 | C4 | 23.0° | 30.0° |
| H1' | C1' | N9 | C8 | 161.4° | 150.0° |
| O2' | C2' | C3' | H2' | 116.9° | 120.0° |
| O2' | C2' | C3' | O3' | 28.8° | 36.9° |
| O2' | C2' | C3' | H3' | 94.6° | 159.0° |
| C3' | C2' | O2' | HO2' | 113.8° | 65.4° |
| C2' | C3' | O3' | H3' | 122.2° | 122.4° |
| C2' | C3' | O3' | HO3' | 72.4° | 120.6° |
| H2' | C2' | O2' | HO2' | 6.6° | 171.3° |
| H2' | C2' | C3' | O3' | 145.7° | 83.1° |
| H2' | C2' | C3' | H3' | 22.3° | 39.0° |
| H3' | C3' | O3' | HO3' | 49.8° | 1.8° |
| C4 | N9 | C8 | N7 | 2.6° | 0.0° |
| C4 | N9 | C8 | H8 | 177.4° | 180.0° |
| N9 | C4 | C5 | N7 | 0.6° | 0.0° |
| N9 | C4 | C5 | N3 | 179.0° | 180.0° |
| N9 | C4 | C5 | C6 | 178.6° | 180.0° |
| N9 | C4 | N3 | C2 | 179.3° | 180.0° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 3.0° | 0.0° |
| C8 | N9 | C4 | C5 | 1.2° | 0.0° |
| C8 | N9 | C4 | N3 | 180.0° | 180.0° |
| C8 | N7 | C5 | C4 | 2.2° | 0.0° |
| C8 | N7 | C5 | C6 | 179.8° | 180.0° |
| H8 | C8 | N7 | C5 | 177.0° | 180.0° |
| N7 | C5 | C4 | C6 | 178.0° | 180.0° |
| N7 | C5 | C6 | N1 | 177.5° | 179.9° |
| N7 | C5 | C6 | N6 | 2.5° | 0.1° |
| N7 | C5 | C4 | N3 | 178.4° | 180.0° |
| C4 | C5 | C6 | N1 | 0.0° | 0.0° |
| C4 | C5 | C6 | N6 | 180.0° | 180.0° |
| C5 | C4 | N3 | C2 | 0.7° | 0.0° |
| C5 | C6 | N1 | N6 | 180.0° | 180.0° |
| C5 | C6 | N6 | HN61 | 157.6° | 2.1° |
| C5 | C6 | N6 | HN62 | 82.4° | 175.8° |
| C6 | C5 | C4 | N3 | 0.4° | 0.0° |
| C5 | C6 | N1 | C2 | 1.3° | 0.0° |
| N1 | C6 | N6 | HN61 | 22.4° | 177.9° |
| N1 | C6 | N6 | HN62 | 97.6° | 4.2° |
| C6 | N1 | C2 | N3 | 2.3° | 0.0° |
| C6 | N1 | C2 | H2 | 177.7° | 179.9° |
| C6 | N6 | HN61 | HN62 | 120.0° | 173.7° |
| N6 | C6 | N1 | C2 | 178.7° | 180.0° |
| C4 | N3 | C2 | N1 | 1.9° | 0.0° |
| C4 | N3 | C2 | H2 | 178.0° | 179.9° |
| N3 | C2 | N1 | H2 | 180.0° | 180.0° |
