PFU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1P | P | doub | 1.48Å | 1.49Å | |
| O2P | P | sing | 1.61Å | 1.50Å | |
| P | O5' | sing | 1.61Å | 1.61Å | |
| P | O3P | sing | 1.61Å | 1.48Å | |
| N2 | C1 | doub | 1.31Å | 1.35Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.44Å | Aromatic |
| C1 | C1' | sing | 1.51Å | 1.46Å | |
| N1 | C3 | sing | 1.37Å | 1.36Å | Aromatic |
| N1 | N2 | sing | 1.28Å | 1.41Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.43Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C3 | C2 | doub | 1.39Å | 1.44Å | Aromatic |
| C4 | O2 | doub | 1.22Å | 1.25Å | |
| C4 | C3 | sing | 1.47Å | 1.46Å | |
| N3 | C4 | sing | 1.35Å | 1.29Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| N3 | HN3A | sing | 0.97Å | 1.00Å | |
| O4' | C1' | sing | 1.44Å | 1.44Å | |
| C1' | C2' | sing | 1.54Å | 1.53Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | C3' | sing | 1.55Å | 1.51Å | |
| C2' | O2' | sing | 1.43Å | 1.44Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| O2P | HO2P | sing | 0.97Å | 0.95Å | |
| C4' | C3' | sing | 1.55Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| O3P | HO3P | sing | 0.97Å | 0.95Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| O4' | C4' | sing | 1.44Å | 1.43Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | O2P | 113.6° | 109.5° |
| O1P | P | O5' | 106.7° | 109.5° |
| O1P | P | O3P | 111.6° | 109.5° |
| O2P | P | O5' | 106.4° | 109.5° |
| O2P | P | O3P | 116.2° | 109.5° |
| P | O2P | HO2P | 109.5° | 114.0° |
| O5' | P | O3P | 101.0° | 109.5° |
| P | O5' | C5' | 125.0° | 123.0° |
| P | O3P | HO3P | 109.5° | 114.0° |
| N2 | C1 | C2 | 102.7° | 107.9° |
| N2 | C1 | C1' | 129.3° | 126.0° |
| C1 | N2 | N1 | 111.7° | 111.2° |
| C2 | C1 | C1' | 128.0° | 126.0° |
| C1 | C2 | O1 | 126.3° | 127.4° |
| C1 | C2 | C3 | 111.8° | 105.2° |
| C1 | C1' | O4' | 106.9° | 109.9° |
| C1 | C1' | C2' | 112.3° | 109.9° |
| C1 | C1' | H1' | 108.4° | 109.9° |
| C3 | N1 | N2 | 110.7° | 109.6° |
| N1 | C3 | C2 | 103.1° | 106.1° |
| N1 | C3 | C4 | 130.4° | 127.0° |
| C3 | N1 | HN1 | 124.6° | 125.2° |
| N2 | N1 | HN1 | 124.7° | 125.2° |
| C2 | O1 | HO1 | 109.5° | 114.1° |
| O1 | C2 | C3 | 121.9° | 127.4° |
| C2 | C3 | C4 | 126.3° | 126.9° |
| O2 | C4 | C3 | 120.6° | 120.1° |
| O2 | C4 | N3 | 124.4° | 120.0° |
| C3 | C4 | N3 | 114.8° | 120.0° |
| C4 | N3 | HN3 | 120.0° | 120.0° |
| C4 | N3 | HN3A | 120.0° | 120.0° |
| HN3 | N3 | HN3A | 120.0° | 120.0° |
| O4' | C1' | C2' | 106.4° | 107.3° |
| O4' | C1' | H1' | 114.1° | 110.0° |
| C1' | O4' | C4' | 110.1° | 107.0° |
| C2' | C1' | H1' | 108.8° | 109.9° |
| C1' | C2' | C3' | 104.1° | 104.2° |
| C1' | C2' | O2' | 110.7° | 110.5° |
| C1' | C2' | H2' | 112.6° | 110.5° |
| C3' | C2' | O2' | 110.6° | 110.5° |
| C3' | C2' | H2' | 112.6° | 110.5° |
| C2' | C3' | C4' | 102.7° | 102.2° |
| C2' | C3' | O3' | 110.7° | 110.9° |
| C2' | C3' | H3' | 112.7° | 110.9° |
| O2' | C2' | H2' | 106.3° | 110.5° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C4' | C3' | O3' | 108.6° | 110.9° |
| C4' | C3' | H3' | 114.7° | 110.9° |
| C3' | C4' | C5' | 111.8° | 110.7° |
| C3' | C4' | O4' | 106.2° | 103.5° |
| C3' | C4' | H4' | 109.8° | 110.6° |
| O3' | C3' | H3' | 107.3° | 110.7° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C5' | C4' | O4' | 108.5° | 110.7° |
| C5' | C4' | H4' | 107.6° | 110.6° |
| C4' | C5' | O5' | 105.9° | 109.5° |
| C4' | C5' | H5' | 110.7° | 109.4° |
| C4' | C5' | H5'A | 110.7° | 109.5° |
| O4' | C4' | H4' | 113.0° | 110.6° |
| O5' | C5' | H5' | 110.7° | 109.5° |
| O5' | C5' | H5'A | 110.7° | 109.5° |
| H5' | C5' | H5'A | 108.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | O2P | O5' | 117.1° | 120.0° |
| O1P | P | O2P | O3P | 131.5° | 120.0° |
| O1P | P | O5' | O3P | 116.8° | 120.0° |
| O1P | P | O2P | HO2P | 0.0° | 60.0° |
| O1P | P | O3P | HO3P | 0.0° | 180.0° |
| O1P | P | O5' | C5' | 64.7° | 55.0° |
| O2P | P | O5' | O3P | 121.7° | 120.0° |
| O2P | P | O3P | HO3P | 132.4° | 60.0° |
| O2P | P | O5' | C5' | 56.9° | 175.0° |
| O5' | P | O2P | HO2P | 117.1° | 180.0° |
| O5' | P | O3P | HO3P | 113.1° | 60.0° |
| P | O5' | C5' | C4' | 166.9° | 180.0° |
| P | O5' | C5' | H5' | 73.1° | 60.1° |
| P | O5' | C5' | H5'A | 46.9° | 60.0° |
| O3P | P | O2P | HO2P | 131.5° | 60.0° |
| O3P | P | O5' | C5' | 178.6° | 65.0° |
| N2 | C1 | C2 | C1' | 178.9° | 179.8° |
| C1 | N2 | N1 | C3 | 0.6° | 0.1° |
| N2 | C1 | C2 | O1 | 178.0° | 179.8° |
| N2 | C1 | C2 | C3 | 0.4° | 0.2° |
| N2 | C1 | C1' | O4' | 64.5° | 42.6° |
| N2 | C1 | C1' | C2' | 51.8° | 75.3° |
| N2 | C1 | C1' | H1' | 172.0° | 163.7° |
| C1 | N2 | N1 | HN1 | 179.4° | 179.8° |
| C1 | C2 | C3 | N1 | 0.7° | 0.1° |
| C2 | C1 | N2 | N1 | 0.1° | 0.2° |
| C1 | C2 | O1 | C3 | 178.2° | 179.9° |
| C1 | C2 | O1 | HO1 | 179.9° | 90.0° |
| C1 | C2 | C3 | C4 | 175.9° | 179.9° |
| C2 | C1 | C1' | O4' | 114.0° | 137.2° |
| C2 | C1 | C1' | C2' | 129.6° | 105.0° |
| C2 | C1 | C1' | H1' | 9.4° | 16.0° |
| C1' | C1 | N2 | N1 | 178.7° | 180.0° |
| C1' | C1 | C2 | O1 | 0.9° | 0.0° |
| C1' | C1 | C2 | C3 | 179.3° | 180.0° |
| C1 | C1' | O4' | C2' | 120.2° | 119.4° |
| C1 | C1' | O4' | H1' | 119.8° | 121.1° |
| C1 | C1' | C2' | H1' | 120.0° | 121.0° |
| C1 | C1' | C2' | C3' | 136.8° | 121.5° |
| C1 | C1' | C2' | O2' | 104.3° | 119.8° |
| C1 | C1' | C2' | H2' | 14.5° | 2.7° |
| C1 | C1' | O4' | C4' | 120.9° | 146.0° |
| C3 | N1 | N2 | HN1 | 180.0° | 179.9° |
| N1 | C3 | C2 | O1 | 177.7° | 179.8° |
| N1 | C3 | C2 | C4 | 175.2° | 180.0° |
| N1 | C3 | C4 | O2 | 175.8° | 180.0° |
| N1 | C3 | C4 | N3 | 8.2° | 0.1° |
| N2 | N1 | C3 | C2 | 0.8° | 0.0° |
| N2 | N1 | C3 | C4 | 175.6° | 180.0° |
| O1 | C2 | C3 | C4 | 2.6° | 0.2° |
| HO1 | O1 | C2 | C3 | 1.9° | 90.0° |
| C2 | C3 | C4 | O2 | 10.4° | 0.0° |
| C2 | C3 | C4 | N3 | 165.6° | 180.0° |
| C2 | C3 | N1 | HN1 | 179.2° | 180.0° |
| O2 | C4 | C3 | N3 | 176.0° | 180.0° |
| O2 | C4 | N3 | HN3 | 0.0° | 0.1° |
| O2 | C4 | N3 | HN3A | 180.0° | 180.0° |
| C3 | C4 | N3 | HN3 | 175.9° | 179.9° |
| C3 | C4 | N3 | HN3A | 4.1° | 0.1° |
| C4 | C3 | N1 | HN1 | 4.4° | 0.1° |
| C4 | N3 | HN3 | HN3A | 180.0° | 179.9° |
| O4' | C1' | C2' | H1' | 123.4° | 119.5° |
| O4' | C1' | C2' | C3' | 20.2° | 2.0° |
| O4' | C1' | C2' | O2' | 139.1° | 120.7° |
| O4' | C1' | C2' | H2' | 102.1° | 116.7° |
| C1' | O4' | C4' | C3' | 19.1° | 40.0° |
| C1' | O4' | C4' | C5' | 101.2° | 158.6° |
| C1' | O4' | C4' | H4' | 139.5° | 78.4° |
| C1' | C2' | C3' | O2' | 118.9° | 118.7° |
| C1' | C2' | C3' | H2' | 122.2° | 118.7° |
| C1' | C2' | O2' | H2' | 122.5° | 122.6° |
| C1' | C2' | O2' | HO2' | 180.0° | 180.0° |
| C1' | C2' | C3' | C4' | 30.6° | 20.9° |
| C1' | C2' | C3' | O3' | 85.2° | 139.1° |
| C1' | C2' | C3' | H3' | 154.6° | 97.4° |
| C2' | C1' | O4' | C4' | 0.8° | 26.5° |
| H1' | C1' | C2' | C3' | 103.2° | 117.5° |
| H1' | C1' | C2' | O2' | 15.7° | 1.2° |
| H1' | C1' | C2' | H2' | 134.5° | 123.8° |
| H1' | C1' | O4' | C4' | 119.2° | 92.9° |
| C3' | C2' | O2' | H2' | 122.6° | 122.7° |
| C3' | C2' | O2' | HO2' | 65.1° | 65.2° |
| C2' | C3' | C4' | O3' | 117.3° | 118.2° |
| C2' | C3' | C4' | H3' | 122.7° | 118.3° |
| C2' | C3' | O3' | H3' | 123.4° | 123.6° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.4° |
| C2' | C3' | C4' | C5' | 87.2° | 155.6° |
| C2' | C3' | C4' | O4' | 30.9° | 37.0° |
| C2' | C3' | C4' | H4' | 153.4° | 81.4° |
| O2' | C2' | C3' | C4' | 149.6° | 97.8° |
| O2' | C2' | C3' | O3' | 33.8° | 20.4° |
| O2' | C2' | C3' | H3' | 86.5° | 144.0° |
| H2' | C2' | O2' | HO2' | 57.5° | 57.4° |
| H2' | C2' | C3' | C4' | 91.6° | 139.6° |
| H2' | C2' | C3' | O3' | 152.6° | 102.2° |
| H2' | C2' | C3' | H3' | 32.4° | 21.3° |
| C4' | C3' | O3' | H3' | 124.5° | 123.6° |
| C4' | C3' | O3' | HO3' | 68.0° | 174.2° |
| C3' | C4' | C5' | O4' | 116.9° | 114.1° |
| C3' | C4' | C5' | H4' | 120.6° | 122.9° |
| C3' | C4' | O4' | H4' | 120.4° | 118.5° |
| C3' | C4' | C5' | O5' | 67.2° | 175.0° |
| C3' | C4' | C5' | H5' | 52.7° | 55.0° |
| C3' | C4' | C5' | H5'A | 172.8° | 64.9° |
| O3' | C3' | C4' | C5' | 155.5° | 86.1° |
| O3' | C3' | C4' | O4' | 86.3° | 155.3° |
| O3' | C3' | C4' | H4' | 36.2° | 36.8° |
| H3' | C3' | O3' | HO3' | 56.6° | 62.2° |
| H3' | C3' | C4' | C5' | 35.4° | 37.4° |
| H3' | C3' | C4' | O4' | 153.6° | 81.2° |
| H3' | C3' | C4' | H4' | 83.9° | 160.3° |
| C5' | C4' | O4' | H4' | 119.2° | 123.0° |
| C4' | C5' | O5' | H5' | 120.0° | 119.9° |
| C4' | C5' | O5' | H5'A | 120.0° | 120.0° |
| C4' | C5' | H5' | H5'A | 121.4° | 120.0° |
| O4' | C4' | C5' | O5' | 175.9° | 70.9° |
| O4' | C4' | C5' | H5' | 64.1° | 169.2° |
| O4' | C4' | C5' | H5'A | 55.9° | 49.2° |
| H4' | C4' | C5' | O5' | 53.3° | 52.1° |
| H4' | C4' | C5' | H5' | 173.3° | 67.9° |
| H4' | C4' | C5' | H5'A | 66.7° | 172.1° |
| O5' | C5' | H5' | H5'A | 121.5° | 120.0° |
