A1EL8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP1 | P | doub | 1.48Å | 1.52Å | |
| OP3 | P | sing | 1.61Å | 1.51Å | |
| P | OP2 | sing | 1.61Å | 1.51Å | |
| P | O5' | sing | 1.61Å | 1.62Å | |
| O5' | C5' | sing | 1.43Å | 1.44Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| S | C9 | sing | 1.75Å | 1.70Å | Aromatic |
| S | C8 | sing | 1.70Å | 1.71Å | Aromatic |
| C4' | C3' | sing | 1.55Å | 1.54Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.54Å | 1.54Å | |
| C9 | C4 | doub | 1.34Å | 1.36Å | Aromatic |
| O4' | C1' | sing | 1.45Å | 1.41Å | |
| C2' | C1' | sing | 1.54Å | 1.52Å | |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| C8 | C5 | doub | 1.37Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.46Å | 1.44Å | Aromatic |
| C4 | N3 | sing | 1.41Å | 1.40Å | |
| C1' | N3 | sing | 1.47Å | 1.46Å | |
| C5 | C1 | sing | 1.48Å | 1.44Å | |
| N3 | C2 | sing | 1.34Å | 1.39Å | |
| C1 | N2 | sing | 1.34Å | 1.38Å | |
| C1 | O4 | doub | 1.22Å | 1.23Å | |
| C2 | N2 | sing | 1.34Å | 1.38Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| N2 | H3 | sing | 0.97Å | 1.00Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP3 | 113.1° | 109.5° |
| OP1 | P | OP2 | 112.6° | 109.5° |
| OP1 | P | O5' | 105.0° | 109.4° |
| OP3 | P | OP2 | 113.0° | 109.5° |
| OP3 | P | O5' | 106.0° | 109.5° |
| P | OP3 | HOP3 | 109.5° | 114.0° |
| OP2 | P | O5' | 106.3° | 109.5° |
| P | OP2 | HOP2 | 109.5° | 114.0° |
| P | O5' | C5' | 119.1° | 123.0° |
| O5' | C5' | C4' | 107.1° | 109.5° |
| O5' | C5' | H5' | 110.1° | 109.5° |
| O5' | C5' | H5'' | 110.0° | 109.5° |
| C5' | C4' | C3' | 116.0° | 110.4° |
| C5' | C4' | O4' | 109.3° | 110.3° |
| C5' | C4' | H4' | 108.0° | 110.4° |
| C4' | C5' | H5' | 110.0° | 109.4° |
| C4' | C5' | H5'' | 110.1° | 109.5° |
| C9 | S | C8 | 92.4° | 92.6° |
| S | C9 | C4 | 112.1° | 111.0° |
| S | C9 | H10 | 123.9° | 124.5° |
| S | C8 | C5 | 111.8° | 111.4° |
| S | C8 | H9 | 124.1° | 124.3° |
| C3' | C4' | O4' | 106.8° | 104.8° |
| C4' | C3' | O3' | 112.3° | 110.5° |
| C4' | C3' | C2' | 103.7° | 104.1° |
| C4' | C3' | H3' | 109.1° | 110.6° |
| C3' | C4' | H4' | 107.7° | 110.4° |
| C4' | O4' | C1' | 107.3° | 105.3° |
| O4' | C4' | H4' | 108.8° | 110.4° |
| O3' | C3' | C2' | 111.6° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 114.1° |
| O3' | C3' | H3' | 110.7° | 110.5° |
| C3' | C2' | C1' | 101.8° | 104.1° |
| C3' | C2' | O2' | 112.5° | 110.6° |
| C3' | C2' | H2' | 109.8° | 110.6° |
| C2' | C3' | H3' | 109.1° | 110.5° |
| C9 | C4 | C5 | 112.3° | 112.4° |
| C9 | C4 | N3 | 128.2° | 129.9° |
| C4 | C9 | H10 | 123.9° | 124.5° |
| O4' | C1' | C2' | 105.0° | 104.8° |
| O4' | C1' | N3 | 108.6° | 110.4° |
| O4' | C1' | H1' | 109.7° | 110.4° |
| C1' | C2' | O2' | 110.7° | 110.5° |
| C2' | C1' | N3 | 116.3° | 110.4° |
| C1' | C2' | H2' | 110.0° | 110.5° |
| C2' | C1' | H1' | 108.2° | 110.4° |
| O2' | C2' | H2' | 111.6° | 110.5° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C8 | C5 | C4 | 111.4° | 112.6° |
| C8 | C5 | C1 | 128.8° | 130.2° |
| C5 | C8 | H9 | 124.1° | 124.3° |
| C5 | C4 | N3 | 119.5° | 117.7° |
| C4 | C5 | C1 | 119.8° | 117.2° |
| C4 | N3 | C1' | 121.4° | 119.7° |
| C4 | N3 | C2 | 121.6° | 120.7° |
| C1' | N3 | C2 | 117.0° | 119.6° |
| N3 | C1' | H1' | 109.0° | 110.4° |
| C5 | C1 | N2 | 114.7° | 118.9° |
| C5 | C1 | O4 | 125.4° | 120.6° |
| N3 | C2 | N2 | 116.5° | 123.4° |
| N3 | C2 | O2 | 122.3° | 118.3° |
| N2 | C1 | O4 | 119.9° | 120.5° |
| C1 | N2 | C2 | 127.9° | 122.2° |
| C1 | N2 | H3 | 116.0° | 119.0° |
| N2 | C2 | O2 | 121.2° | 118.3° |
| C2 | N2 | H3 | 116.0° | 118.9° |
| H5' | C5' | H5'' | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP3 | OP2 | 129.4° | 120.0° |
| OP1 | P | OP3 | O5' | 114.5° | 119.9° |
| OP1 | P | OP2 | O5' | 114.4° | 119.9° |
| OP1 | P | O5' | C5' | 59.0° | 55.0° |
| OP1 | P | OP3 | HOP3 | 0.0° | 179.9° |
| OP1 | P | OP2 | HOP2 | 0.0° | 60.1° |
| OP3 | P | OP2 | O5' | 115.9° | 120.0° |
| OP3 | P | O5' | C5' | 61.0° | 65.0° |
| OP3 | P | OP2 | HOP2 | 129.7° | 60.0° |
| OP2 | P | O5' | C5' | 178.5° | 175.0° |
| OP2 | P | OP3 | HOP3 | 129.4° | 60.0° |
| P | O5' | C5' | C4' | 167.3° | 180.0° |
| P | O5' | C5' | H5' | 73.1° | 60.0° |
| P | O5' | C5' | H5'' | 47.7° | 60.0° |
| O5' | P | OP3 | HOP3 | 114.5° | 60.0° |
| O5' | P | OP2 | HOP2 | 114.4° | 180.0° |
| O5' | C5' | C4' | H5' | 119.6° | 120.0° |
| O5' | C5' | C4' | H5'' | 119.6° | 120.1° |
| O5' | C5' | C4' | C3' | 160.4° | 175.0° |
| O5' | C5' | C4' | O4' | 78.8° | 69.6° |
| O5' | C5' | C4' | H4' | 39.5° | 52.7° |
| O5' | C5' | H5' | H5'' | 121.1° | 120.1° |
| C5' | C4' | C3' | O4' | 122.1° | 118.8° |
| C5' | C4' | C3' | H4' | 121.1° | 122.4° |
| C5' | C4' | O4' | H4' | 117.8° | 122.3° |
| C5' | C4' | C3' | O3' | 119.9° | 98.6° |
| C5' | C4' | C3' | C2' | 119.5° | 142.8° |
| C5' | C4' | O4' | C1' | 148.2° | 159.3° |
| C5' | C4' | C3' | H3' | 3.3° | 24.1° |
| C4' | C5' | H5' | H5'' | 121.1° | 119.9° |
| S | C9 | C4 | H10 | 180.0° | 179.9° |
| C9 | S | C8 | C5 | 0.2° | 0.0° |
| S | C9 | C4 | C5 | 0.1° | 0.0° |
| S | C9 | C4 | N3 | 179.2° | 180.0° |
| C9 | S | C8 | H9 | 179.8° | 179.9° |
| C8 | S | C9 | C4 | 0.0° | 0.0° |
| S | C8 | C5 | H9 | 180.0° | 179.9° |
| S | C8 | C5 | C4 | 0.3° | 0.0° |
| S | C8 | C5 | C1 | 178.8° | 180.0° |
| C8 | S | C9 | H10 | 180.0° | 179.9° |
| C3' | C4' | O4' | H4' | 116.0° | 118.9° |
| C4' | C3' | O3' | C2' | 116.0° | 114.6° |
| C4' | C3' | O3' | H3' | 122.2° | 122.8° |
| C4' | C3' | C2' | H3' | 116.2° | 118.8° |
| C3' | C4' | O4' | C1' | 22.0° | 40.5° |
| C4' | C3' | C2' | C1' | 23.8° | 0.0° |
| C4' | C3' | C2' | O2' | 142.3° | 118.6° |
| C4' | C3' | C2' | H2' | 92.8° | 118.7° |
| C4' | C3' | O3' | HO3' | 180.0° | 176.1° |
| C3' | C4' | C5' | H5' | 80.0° | 55.0° |
| C3' | C4' | C5' | H5'' | 40.8° | 64.9° |
| O4' | C4' | C3' | O3' | 118.0° | 142.6° |
| O4' | C4' | C3' | C2' | 2.6° | 24.0° |
| C4' | O4' | C1' | C2' | 38.1° | 40.5° |
| C4' | O4' | C1' | N3 | 163.1° | 159.4° |
| C4' | O4' | C1' | H1' | 77.9° | 78.3° |
| O4' | C4' | C3' | H3' | 118.9° | 94.7° |
| O4' | C4' | C5' | H5' | 40.8° | 170.3° |
| O4' | C4' | C5' | H5'' | 161.6° | 50.4° |
| O3' | C3' | C2' | H3' | 122.6° | 122.6° |
| O3' | C3' | C2' | C1' | 97.4° | 118.6° |
| O3' | C3' | C2' | O2' | 21.1° | 0.0° |
| O3' | C3' | C2' | H2' | 146.0° | 122.7° |
| O3' | C3' | C4' | H4' | 1.3° | 23.8° |
| C3' | C2' | C1' | O4' | 38.2° | 24.0° |
| C3' | C2' | C1' | O2' | 119.8° | 118.7° |
| C3' | C2' | C1' | H2' | 116.4° | 118.8° |
| C3' | C2' | O2' | H2' | 124.0° | 122.8° |
| C3' | C2' | C1' | N3 | 158.2° | 142.8° |
| C3' | C2' | C1' | H1' | 78.9° | 94.9° |
| C2' | C3' | O3' | HO3' | 64.0° | 61.5° |
| C3' | C2' | O2' | HO2' | 180.0° | 65.3° |
| C2' | C3' | C4' | H4' | 119.4° | 94.8° |
| C9 | C4 | C5 | C8 | 0.2° | 0.0° |
| C9 | C4 | C5 | N3 | 179.4° | 180.0° |
| C9 | C4 | N3 | C1' | 2.0° | 0.2° |
| C9 | C4 | C5 | C1 | 179.0° | 180.0° |
| C9 | C4 | N3 | C2 | 178.1° | 180.0° |
| O4' | C1' | C2' | N3 | 120.0° | 118.8° |
| O4' | C1' | C2' | H1' | 117.1° | 118.9° |
| O4' | C1' | C2' | O2' | 158.0° | 142.6° |
| O4' | C1' | N3 | C4 | 57.6° | 129.4° |
| O4' | C1' | N3 | H1' | 119.4° | 122.3° |
| O4' | C1' | N3 | C2 | 122.2° | 50.4° |
| O4' | C1' | C2' | H2' | 78.2° | 94.8° |
| C1' | O4' | C4' | H4' | 94.0° | 78.3° |
| C1' | C2' | O2' | H2' | 122.9° | 122.6° |
| C2' | C1' | N3 | C4 | 60.5° | 115.3° |
| C2' | C1' | N3 | H1' | 122.5° | 122.3° |
| C2' | C1' | N3 | C2 | 119.7° | 64.9° |
| C1' | C2' | C3' | H3' | 140.0° | 118.8° |
| C1' | C2' | O2' | HO2' | 66.9° | 180.0° |
| O2' | C2' | C1' | N3 | 82.0° | 98.5° |
| O2' | C2' | C1' | H1' | 41.0° | 23.8° |
| O2' | C2' | C3' | H3' | 101.5° | 122.6° |
| C8 | C5 | C4 | C1 | 179.2° | 180.0° |
| C8 | C5 | C4 | N3 | 179.2° | 180.0° |
| C8 | C5 | C1 | N2 | 179.3° | 179.7° |
| C8 | C5 | C1 | O4 | 0.1° | 0.3° |
| C5 | C4 | N3 | C1' | 177.3° | 179.8° |
| C5 | C4 | N3 | C2 | 2.6° | 0.0° |
| C4 | C5 | C1 | N2 | 0.2° | 0.3° |
| C4 | C5 | C1 | O4 | 179.0° | 179.7° |
| C4 | C5 | C8 | H9 | 179.7° | 180.0° |
| C5 | C4 | C9 | H10 | 179.9° | 179.9° |
| C4 | N3 | C1' | C2 | 179.9° | 179.8° |
| N3 | C4 | C5 | C1 | 1.7° | 0.0° |
| C4 | N3 | C2 | N2 | 2.0° | 0.2° |
| C4 | N3 | C2 | O2 | 177.6° | 179.7° |
| C4 | N3 | C1' | H1' | 177.0° | 7.0° |
| N3 | C4 | C9 | H10 | 0.8° | 0.1° |
| C1' | N3 | C2 | N2 | 177.8° | 180.0° |
| C1' | N3 | C2 | O2 | 2.5° | 0.1° |
| N3 | C1' | C2' | H2' | 41.8° | 24.0° |
| C5 | C1 | N2 | O4 | 179.3° | 179.4° |
| C5 | C1 | N2 | C2 | 0.3° | 0.6° |
| C1 | C5 | C8 | H9 | 1.2° | 0.0° |
| C5 | C1 | N2 | H3 | 179.7° | 180.0° |
| N3 | C2 | N2 | C1 | 0.6° | 0.5° |
| N3 | C2 | N2 | O2 | 179.6° | 179.9° |
| C2 | N3 | C1' | H1' | 2.9° | 172.7° |
| N3 | C2 | N2 | H3 | 179.4° | 179.9° |
| C1 | N2 | C2 | H3 | 180.0° | 179.4° |
| C1 | N2 | C2 | O2 | 179.1° | 179.4° |
| O4 | C1 | N2 | C2 | 179.6° | 180.0° |
| O4 | C1 | N2 | H3 | 0.5° | 0.6° |
| O2 | C2 | N2 | H3 | 1.0° | 0.0° |
| H2' | C2' | C1' | H1' | 164.7° | 146.3° |
| H2' | C2' | C3' | H3' | 23.4° | 0.1° |
| H2' | C2' | O2' | HO2' | 56.0° | 57.5° |
| HO3' | O3' | C3' | H3' | 57.8° | 61.2° |
| H3' | C3' | C4' | H4' | 124.4° | 146.4° |
| H4' | C4' | C5' | H5' | 159.1° | 67.3° |
| H4' | C4' | C5' | H5'' | 80.1° | 172.7° |
