1MA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP1 | doub | 1.48Å | 1.47Å | |
| P | OP2 | sing | 1.61Å | 1.47Å | |
| P | OP3 | sing | 1.61Å | 1.59Å | |
| P | O5' | sing | 1.61Å | 1.60Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.41Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.46Å | |
| C4' | C3' | sing | 1.54Å | 1.54Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.41Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.40Å | |
| C2' | C1' | sing | 1.55Å | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.46Å | 1.47Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N9 | C8 | sing | 1.37Å | 1.36Å | Aromatic |
| N9 | C4 | sing | 1.36Å | 1.38Å | Aromatic |
| C8 | N7 | doub | 1.31Å | 1.31Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N7 | C5 | sing | 1.33Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.47Å | 1.47Å | |
| C5 | C4 | doub | 1.41Å | 1.37Å | Aromatic |
| C6 | N6 | doub | 1.31Å | 1.48Å | |
| C6 | N1 | sing | 1.40Å | 1.45Å | |
| N6 | HN61 | sing | 0.97Å | 1.00Å | |
| N1 | CM1 | sing | 1.47Å | 1.48Å | |
| N1 | C2 | sing | 1.36Å | 1.36Å | |
| CM1 | HM11 | sing | 1.09Å | 1.10Å | |
| CM1 | HM12 | sing | 1.09Å | 1.10Å | |
| CM1 | HM13 | sing | 1.09Å | 1.10Å | |
| C2 | N3 | doub | 1.31Å | 1.37Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N3 | C4 | sing | 1.35Å | 1.36Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 120.0° | 109.5° |
| OP1 | P | OP3 | 112.5° | 109.5° |
| OP1 | P | O5' | 102.9° | 109.5° |
| OP2 | P | OP3 | 106.0° | 109.5° |
| OP2 | P | O5' | 109.4° | 109.4° |
| P | OP2 | HOP2 | 109.5° | 114.0° |
| OP3 | P | O5' | 104.9° | 109.5° |
| P | OP3 | HOP3 | 109.5° | 114.0° |
| P | O5' | C5' | 121.1° | 123.0° |
| O5' | C5' | C4' | 110.6° | 109.5° |
| O5' | C5' | H5' | 109.2° | 109.4° |
| O5' | C5' | H5'' | 109.2° | 109.4° |
| C4' | C5' | H5' | 109.2° | 109.5° |
| C4' | C5' | H5'' | 109.2° | 109.5° |
| C5' | C4' | O4' | 110.4° | 109.9° |
| C5' | C4' | C3' | 117.8° | 109.9° |
| C5' | C4' | H4' | 107.6° | 109.9° |
| H5' | C5' | H5'' | 109.5° | 109.5° |
| O4' | C4' | C3' | 104.7° | 107.3° |
| O4' | C4' | H4' | 108.5° | 109.8° |
| C4' | O4' | C1' | 109.6° | 107.0° |
| C3' | C4' | H4' | 107.5° | 110.0° |
| C4' | C3' | O3' | 107.8° | 110.5° |
| C4' | C3' | C2' | 99.8° | 104.2° |
| C4' | C3' | H3' | 112.6° | 110.5° |
| O4' | C1' | C2' | 103.7° | 103.5° |
| O4' | C1' | N9 | 110.4° | 110.6° |
| O4' | C1' | H1' | 110.2° | 110.6° |
| O3' | C3' | C2' | 108.2° | 110.5° |
| O3' | C3' | H3' | 114.4° | 110.4° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C2' | C3' | H3' | 113.0° | 110.6° |
| C3' | C2' | O2' | 116.2° | 110.9° |
| C3' | C2' | C1' | 100.0° | 102.1° |
| C3' | C2' | H2' | 110.0° | 110.9° |
| O2' | C2' | C1' | 108.2° | 110.9° |
| O2' | C2' | H2' | 111.7° | 110.8° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C1' | C2' | H2' | 109.9° | 110.9° |
| C2' | C1' | N9 | 114.4° | 110.6° |
| C2' | C1' | H1' | 108.6° | 110.6° |
| N9 | C1' | H1' | 109.4° | 110.7° |
| C1' | N9 | C8 | 126.9° | 126.3° |
| C1' | N9 | C4 | 127.5° | 126.3° |
| C8 | N9 | C4 | 105.5° | 107.4° |
| N9 | C8 | N7 | 113.7° | 109.7° |
| N9 | C8 | H8 | 123.2° | 125.1° |
| N9 | C4 | C5 | 106.3° | 105.9° |
| N9 | C4 | N3 | 129.5° | 133.4° |
| N7 | C8 | H8 | 123.1° | 125.1° |
| C8 | N7 | C5 | 104.3° | 109.1° |
| N7 | C5 | C6 | 126.8° | 133.5° |
| N7 | C5 | C4 | 110.1° | 107.8° |
| C6 | C5 | C4 | 123.1° | 118.7° |
| C5 | C6 | N6 | 121.0° | 123.6° |
| C5 | C6 | N1 | 112.4° | 112.7° |
| C5 | C4 | N3 | 124.2° | 120.6° |
| N6 | C6 | N1 | 126.6° | 123.7° |
| C6 | N6 | HN61 | 112.0° | 120.0° |
| C6 | N1 | CM1 | 112.4° | 120.5° |
| C6 | N1 | C2 | 117.5° | 118.9° |
| CM1 | N1 | C2 | 130.1° | 120.5° |
| N1 | CM1 | HM11 | 109.5° | 109.5° |
| N1 | CM1 | HM12 | 109.5° | 109.5° |
| N1 | CM1 | HM13 | 109.5° | 109.5° |
| N1 | C2 | N3 | 131.0° | 123.4° |
| N1 | C2 | H2 | 114.5° | 118.3° |
| HM11 | CM1 | HM12 | 109.5° | 109.5° |
| HM11 | CM1 | HM13 | 109.4° | 109.5° |
| HM12 | CM1 | HM13 | 109.5° | 109.5° |
| N3 | C2 | H2 | 114.5° | 118.3° |
| C2 | N3 | C4 | 111.8° | 119.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | OP3 | 128.8° | 120.0° |
| OP1 | P | OP2 | O5' | 118.6° | 120.0° |
| OP1 | P | OP3 | O5' | 111.2° | 120.0° |
| OP1 | P | OP2 | HOP2 | 0.0° | 60.0° |
| OP1 | P | OP3 | HOP3 | 0.0° | 180.0° |
| OP1 | P | O5' | C5' | 178.4° | 55.0° |
| OP2 | P | OP3 | O5' | 115.8° | 120.0° |
| OP2 | P | OP3 | HOP3 | 133.1° | 60.0° |
| OP2 | P | O5' | C5' | 52.9° | 175.0° |
| OP3 | P | OP2 | HOP2 | 128.8° | 60.1° |
| OP3 | P | O5' | C5' | 60.5° | 65.0° |
| O5' | P | OP2 | HOP2 | 118.6° | 179.9° |
| O5' | P | OP3 | HOP3 | 111.2° | 60.0° |
| P | O5' | C5' | C4' | 150.7° | 180.0° |
| P | O5' | C5' | H5' | 30.5° | 59.9° |
| P | O5' | C5' | H5'' | 89.1° | 60.0° |
| O5' | C5' | C4' | H5' | 120.2° | 120.0° |
| O5' | C5' | C4' | H5'' | 120.1° | 120.0° |
| O5' | C5' | H5' | H5'' | 119.5° | 119.9° |
| O5' | C5' | C4' | O4' | 51.1° | 66.4° |
| O5' | C5' | C4' | C3' | 69.0° | 175.7° |
| O5' | C5' | C4' | H4' | 169.3° | 54.6° |
| C4' | C5' | H5' | H5'' | 119.5° | 120.0° |
| C5' | C4' | O4' | C3' | 127.7° | 119.4° |
| C5' | C4' | O4' | H4' | 117.7° | 121.0° |
| C5' | C4' | C3' | H4' | 121.7° | 121.1° |
| C5' | C4' | O4' | C1' | 122.8° | 145.9° |
| C5' | C4' | C3' | O3' | 155.7° | 119.9° |
| C5' | C4' | C3' | C2' | 91.5° | 121.5° |
| C5' | C4' | C3' | H3' | 28.6° | 2.6° |
| H5' | C5' | C4' | O4' | 171.3° | 53.6° |
| H5' | C5' | C4' | C3' | 51.2° | 64.3° |
| H5' | C5' | C4' | H4' | 70.4° | 174.6° |
| H5'' | C5' | C4' | O4' | 69.0° | 173.6° |
| H5'' | C5' | C4' | C3' | 170.8° | 55.8° |
| H5'' | C5' | C4' | H4' | 49.2° | 65.4° |
| O4' | C4' | C3' | H4' | 115.2° | 119.4° |
| O4' | C4' | C3' | O3' | 81.3° | 120.7° |
| O4' | C4' | C3' | C2' | 31.6° | 2.0° |
| O4' | C4' | C3' | H3' | 151.6° | 116.8° |
| C4' | O4' | C1' | C2' | 23.9° | 40.0° |
| C4' | O4' | C1' | N9 | 146.9° | 158.5° |
| C4' | O4' | C1' | H1' | 92.2° | 78.5° |
| C3' | C4' | O4' | C1' | 5.0° | 26.5° |
| C4' | C3' | O3' | C2' | 107.1° | 114.8° |
| C4' | C3' | O3' | H3' | 126.1° | 122.5° |
| C4' | C3' | C2' | H3' | 119.8° | 118.8° |
| C4' | C3' | O3' | HO3' | 180.0° | 180.0° |
| C4' | C3' | C2' | O2' | 160.8° | 139.1° |
| C4' | C3' | C2' | C1' | 44.6° | 20.9° |
| C4' | C3' | C2' | H2' | 71.0° | 97.4° |
| H4' | C4' | O4' | C1' | 119.5° | 93.1° |
| H4' | C4' | C3' | O3' | 33.9° | 1.3° |
| H4' | C4' | C3' | C2' | 146.8° | 117.4° |
| H4' | C4' | C3' | H3' | 93.2° | 123.8° |
| O4' | C1' | C2' | C3' | 43.4° | 37.0° |
| O4' | C1' | C2' | O2' | 165.4° | 155.2° |
| O4' | C1' | C2' | N9 | 120.3° | 118.5° |
| O4' | C1' | C2' | H1' | 117.2° | 118.5° |
| O4' | C1' | C2' | H2' | 72.3° | 81.2° |
| O4' | C1' | N9 | H1' | 121.4° | 123.0° |
| O4' | C1' | N9 | C8 | 97.9° | 23.6° |
| O4' | C1' | N9 | C4 | 85.3° | 156.7° |
| O3' | C3' | C2' | H3' | 127.7° | 122.6° |
| O3' | C3' | C2' | O2' | 48.3° | 20.4° |
| O3' | C3' | C2' | C1' | 67.9° | 97.8° |
| O3' | C3' | C2' | H2' | 176.5° | 144.0° |
| C2' | C3' | O3' | HO3' | 72.9° | 65.2° |
| C3' | C2' | O2' | C1' | 111.4° | 112.7° |
| C3' | C2' | O2' | H2' | 127.4° | 123.6° |
| C3' | C2' | C1' | H2' | 115.7° | 118.2° |
| C3' | C2' | O2' | HO2' | 180.0° | 61.5° |
| C3' | C2' | C1' | N9 | 163.7° | 155.5° |
| C3' | C2' | C1' | H1' | 73.9° | 81.5° |
| H3' | C3' | O3' | HO3' | 53.9° | 57.5° |
| H3' | C3' | C2' | O2' | 79.4° | 102.2° |
| H3' | C3' | C2' | C1' | 164.5° | 139.6° |
| H3' | C3' | C2' | H2' | 48.9° | 21.4° |
| O2' | C2' | C1' | H2' | 122.2° | 123.5° |
| O2' | C2' | C1' | N9 | 74.3° | 86.3° |
| O2' | C2' | C1' | H1' | 48.2° | 36.7° |
| C1' | C2' | O2' | HO2' | 68.6° | 174.2° |
| C2' | C1' | N9 | H1' | 122.1° | 122.9° |
| C2' | C1' | N9 | C8 | 18.6° | 90.5° |
| C2' | C1' | N9 | C4 | 158.2° | 89.2° |
| H2' | C2' | O2' | HO2' | 52.6° | 62.2° |
| H2' | C2' | C1' | N9 | 48.0° | 37.3° |
| H2' | C2' | C1' | H1' | 170.4° | 160.3° |
| C1' | N9 | C8 | C4 | 177.3° | 179.7° |
| C1' | N9 | C8 | N7 | 175.4° | 179.9° |
| C1' | N9 | C8 | H8 | 4.5° | 0.1° |
| C1' | N9 | C4 | C5 | 175.8° | 179.7° |
| C1' | N9 | C4 | N3 | 3.7° | 1.2° |
| H1' | C1' | N9 | C8 | 140.6° | 146.6° |
| H1' | C1' | N9 | C4 | 36.1° | 33.8° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 1.4° | 0.0° |
| C8 | N9 | C4 | C5 | 1.5° | 0.6° |
| C8 | N9 | C4 | N3 | 179.0° | 179.1° |
| C4 | N9 | C8 | N7 | 1.9° | 0.4° |
| C4 | N9 | C8 | H8 | 178.1° | 179.7° |
| N9 | C4 | C5 | N7 | 0.7° | 0.6° |
| N9 | C4 | C5 | C6 | 179.7° | 179.4° |
| N9 | C4 | C5 | N3 | 179.6° | 178.7° |
| N9 | C4 | N3 | C2 | 180.0° | 173.0° |
| C8 | N7 | C5 | C6 | 179.1° | 179.7° |
| C8 | N7 | C5 | C4 | 0.4° | 0.4° |
| H8 | C8 | N7 | C5 | 178.6° | 179.9° |
| N7 | C5 | C6 | C4 | 179.5° | 179.9° |
| N7 | C5 | C6 | N6 | 2.2° | 17.9° |
| N7 | C5 | C6 | N1 | 179.5° | 162.1° |
| N7 | C5 | C4 | N3 | 179.7° | 179.4° |
| C5 | C6 | N6 | N1 | 178.0° | 180.0° |
| C5 | C6 | N6 | HN61 | 178.0° | 180.0° |
| C5 | C6 | N1 | CM1 | 179.4° | 150.6° |
| C5 | C6 | N1 | C2 | 0.4° | 29.4° |
| C6 | C5 | C4 | N3 | 0.1° | 0.7° |
| C4 | C5 | C6 | N6 | 178.3° | 162.2° |
| C4 | C5 | C6 | N1 | 0.1° | 17.8° |
| C5 | C4 | N3 | C2 | 0.5° | 8.7° |
| N6 | C6 | N1 | CM1 | 1.3° | 29.4° |
| N6 | C6 | N1 | C2 | 178.5° | 150.6° |
| N1 | C6 | N6 | HN61 | 0.0° | 0.0° |
| C6 | N1 | CM1 | C2 | 179.7° | 180.0° |
| C6 | N1 | CM1 | HM11 | 180.0° | 90.0° |
| C6 | N1 | CM1 | HM12 | 60.0° | 150.0° |
| C6 | N1 | CM1 | HM13 | 60.0° | 30.0° |
| C6 | N1 | C2 | N3 | 0.9° | 24.0° |
| C6 | N1 | C2 | H2 | 179.2° | 155.9° |
| N1 | CM1 | HM11 | HM12 | 120.0° | 120.0° |
| N1 | CM1 | HM11 | HM13 | 120.0° | 120.0° |
| N1 | CM1 | HM12 | HM13 | 120.0° | 120.0° |
| CM1 | N1 | C2 | N3 | 178.8° | 156.0° |
| CM1 | N1 | C2 | H2 | 1.2° | 24.0° |
| C2 | N1 | CM1 | HM11 | 0.3° | 90.0° |
| C2 | N1 | CM1 | HM12 | 120.3° | 30.0° |
| C2 | N1 | CM1 | HM13 | 119.7° | 150.0° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.9° | 3.5° |
| HM11 | CM1 | HM12 | HM13 | 120.0° | 120.0° |
| H2 | C2 | N3 | C4 | 179.1° | 176.5° |
