CDF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3B | PB | doub | 1.48Å | 1.51Å | |
| PB | O1B | sing | 1.61Å | 1.52Å | |
| PB | O2B | sing | 1.61Å | 1.52Å | |
| PB | O3A | sing | 1.61Å | 1.63Å | |
| O3A | PA | sing | 1.61Å | 1.62Å | |
| PA | O1A | sing | 1.61Å | 1.51Å | |
| PA | O2A | doub | 1.48Å | 1.51Å | |
| PA | O5' | sing | 1.61Å | 1.62Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| C4' | O4' | sing | 1.43Å | 1.43Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C2' | O2' | sing | 1.43Å | 1.43Å | |
| C2' | C1' | sing | 1.55Å | 1.53Å | |
| C1' | N1 | sing | 1.46Å | 1.48Å | |
| N1 | C2 | sing | 1.35Å | 1.42Å | |
| N1 | C6 | sing | 1.36Å | 1.34Å | |
| C2 | O2 | doub | 1.22Å | 1.24Å | |
| C2 | N3 | sing | 1.33Å | 1.35Å | |
| N3 | C4 | doub | 1.33Å | 1.35Å | |
| C4 | N4 | sing | 1.38Å | 1.35Å | |
| C4 | C5 | sing | 1.41Å | 1.39Å | |
| O1B | H1B | sing | 0.97Å | 0.95Å | |
| O2B | H2B | sing | 0.97Å | 0.95Å | |
| O1A | H1A | sing | 0.97Å | 0.95Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| O3' | HA | sing | 0.97Å | 0.95Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HB | sing | 0.97Å | 0.95Å | |
| N4 | H41N | sing | 0.97Å | 1.00Å | |
| N4 | H42N | sing | 0.97Å | 1.00Å | |
| C6 | C5 | doub | 1.35Å | 1.39Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3B | PB | O1B | 113.9° | 109.5° |
| O3B | PB | O2B | 113.9° | 109.5° |
| O3B | PB | O3A | 104.5° | 109.5° |
| O1B | PB | O2B | 113.3° | 109.5° |
| O1B | PB | O3A | 103.1° | 109.5° |
| PB | O1B | H1B | 109.5° | 114.0° |
| O2B | PB | O3A | 106.8° | 109.4° |
| PB | O2B | H2B | 109.5° | 114.0° |
| PB | O3A | PA | 124.8° | 134.0° |
| O3A | PA | O1A | 108.7° | 109.5° |
| O3A | PA | O2A | 107.7° | 109.5° |
| O3A | PA | O5' | 101.8° | 109.5° |
| O1A | PA | O2A | 118.3° | 109.5° |
| O1A | PA | O5' | 108.8° | 109.5° |
| PA | O1A | H1A | 109.5° | 114.0° |
| O2A | PA | O5' | 110.3° | 109.5° |
| PA | O5' | C5' | 122.8° | 123.0° |
| O5' | C5' | C4' | 112.9° | 109.5° |
| O5' | C5' | H5'1 | 108.3° | 109.5° |
| O5' | C5' | H5'2 | 107.6° | 109.5° |
| C5' | C4' | O4' | 112.0° | 109.8° |
| C5' | C4' | C3' | 107.5° | 109.8° |
| C4' | C5' | H5'1 | 108.3° | 109.5° |
| C4' | C5' | H5'2 | 107.5° | 109.4° |
| C5' | C4' | H4' | 108.3° | 109.8° |
| O4' | C4' | C3' | 106.9° | 107.6° |
| C4' | O4' | C1' | 106.3° | 110.0° |
| O4' | C4' | H4' | 108.9° | 109.8° |
| C4' | C3' | O3' | 111.0° | 110.8° |
| C4' | C3' | C2' | 105.5° | 102.3° |
| C3' | C4' | H4' | 113.4° | 110.0° |
| C4' | C3' | H3' | 112.4° | 110.9° |
| O4' | C1' | C2' | 104.9° | 105.1° |
| O4' | C1' | N1 | 116.6° | 110.3° |
| O4' | C1' | H1' | 111.8° | 110.2° |
| O3' | C3' | C2' | 113.0° | 110.8° |
| O3' | C3' | H3' | 104.8° | 110.7° |
| C3' | O3' | HA | 109.5° | 114.0° |
| C3' | C2' | O2' | 108.6° | 111.1° |
| C3' | C2' | C1' | 101.6° | 101.0° |
| C2' | C3' | H3' | 110.4° | 111.0° |
| C3' | C2' | H2' | 116.2° | 111.2° |
| O2' | C2' | C1' | 113.0° | 111.1° |
| O2' | C2' | H2' | 105.5° | 111.0° |
| C2' | O2' | HB | 109.5° | 114.0° |
| C2' | C1' | N1 | 118.7° | 110.3° |
| C2' | C1' | H1' | 109.3° | 110.3° |
| C1' | C2' | H2' | 112.1° | 111.1° |
| C1' | N1 | C2 | 126.4° | 119.8° |
| C1' | N1 | C6 | 115.1° | 119.9° |
| N1 | C1' | H1' | 95.2° | 110.4° |
| C2 | N1 | C6 | 118.5° | 120.3° |
| N1 | C2 | O2 | 122.8° | 119.4° |
| N1 | C2 | N3 | 119.9° | 121.1° |
| N1 | C6 | C5 | 121.6° | 119.3° |
| N1 | C6 | H6 | 119.2° | 120.3° |
| O2 | C2 | N3 | 117.4° | 119.4° |
| C2 | N3 | C4 | 121.1° | 120.6° |
| N3 | C4 | N4 | 119.7° | 120.2° |
| N3 | C4 | C5 | 120.4° | 119.6° |
| N4 | C4 | C5 | 119.9° | 120.2° |
| C4 | N4 | H41N | 110.1° | 120.0° |
| C4 | N4 | H42N | 125.0° | 120.0° |
| C4 | C5 | C6 | 118.6° | 119.0° |
| C4 | C5 | H5 | 120.7° | 120.5° |
| H5'1 | C5' | H5'2 | 112.2° | 109.4° |
| H41N | N4 | H42N | 124.9° | 120.0° |
| C6 | C5 | H5 | 120.7° | 120.5° |
| C5 | C6 | H6 | 119.2° | 120.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3B | PB | O1B | O2B | 132.3° | 120.0° |
| O3B | PB | O1B | O3A | 112.7° | 120.0° |
| O3B | PB | O2B | O3A | 114.8° | 120.0° |
| O3B | PB | O3A | PA | 70.8° | 45.1° |
| O3B | PB | O1B | H1B | 7.4° | 180.0° |
| O3B | PB | O2B | H2B | 179.7° | 60.0° |
| O1B | PB | O2B | O3A | 112.8° | 120.0° |
| O1B | PB | O3A | PA | 169.8° | 75.0° |
| O1B | PB | O2B | H2B | 48.0° | 60.0° |
| O2B | PB | O3A | PA | 50.2° | 165.0° |
| O2B | PB | O1B | H1B | 124.9° | 60.0° |
| PB | O3A | PA | O1A | 176.2° | 75.0° |
| PB | O3A | PA | O2A | 54.5° | 45.0° |
| PB | O3A | PA | O5' | 61.5° | 164.9° |
| O3A | PB | O1B | H1B | 120.1° | 60.0° |
| O3A | PB | O2B | H2B | 64.8° | 180.0° |
| O3A | PA | O1A | O2A | 123.2° | 120.0° |
| O3A | PA | O1A | O5' | 110.1° | 120.0° |
| O3A | PA | O2A | O5' | 110.3° | 120.0° |
| O3A | PA | O5' | C5' | 172.3° | 175.0° |
| O3A | PA | O1A | H1A | 116.9° | 60.0° |
| O1A | PA | O2A | O5' | 126.0° | 120.0° |
| O1A | PA | O5' | C5' | 57.6° | 64.9° |
| O2A | PA | O5' | C5' | 73.6° | 55.0° |
| O2A | PA | O1A | H1A | 6.3° | 180.0° |
| PA | O5' | C5' | C4' | 135.2° | 180.0° |
| O5' | PA | O1A | H1A | 133.0° | 60.0° |
| PA | O5' | C5' | H5'1 | 15.2° | 59.9° |
| PA | O5' | C5' | H5'2 | 106.3° | 60.0° |
| O5' | C5' | C4' | H5'1 | 120.0° | 120.1° |
| O5' | C5' | C4' | H5'2 | 118.5° | 120.0° |
| O5' | C5' | C4' | O4' | 24.7° | 66.5° |
| O5' | C5' | C4' | C3' | 141.8° | 175.4° |
| O5' | C5' | H5'1 | H5'2 | 118.6° | 120.0° |
| O5' | C5' | C4' | H4' | 95.4° | 54.3° |
| C5' | C4' | O4' | C3' | 117.4° | 119.5° |
| C5' | C4' | O4' | H4' | 119.8° | 120.9° |
| C5' | C4' | C3' | H4' | 119.7° | 121.0° |
| C5' | C4' | O4' | C1' | 92.0° | 117.8° |
| C5' | C4' | C3' | O3' | 119.0° | 101.0° |
| C5' | C4' | C3' | C2' | 118.3° | 140.8° |
| C4' | C5' | H5'1 | H5'2 | 118.6° | 120.0° |
| C5' | C4' | C3' | H3' | 2.1° | 22.4° |
| O4' | C4' | C3' | H4' | 119.9° | 119.6° |
| O4' | C4' | C3' | O3' | 120.6° | 139.6° |
| O4' | C4' | C3' | C2' | 2.1° | 21.4° |
| C4' | O4' | C1' | C2' | 38.8° | 24.4° |
| C4' | O4' | C1' | N1 | 172.4° | 143.3° |
| O4' | C4' | C5' | H5'1 | 95.3° | 53.6° |
| O4' | C4' | C5' | H5'2 | 143.2° | 173.5° |
| O4' | C4' | C3' | H3' | 122.5° | 97.0° |
| C4' | O4' | C1' | H1' | 79.5° | 94.5° |
| C3' | C4' | O4' | C1' | 25.5° | 1.7° |
| C4' | C3' | O3' | C2' | 118.3° | 112.8° |
| C4' | C3' | O3' | H3' | 121.5° | 123.5° |
| C4' | C3' | C2' | H3' | 121.6° | 118.3° |
| C4' | C3' | C2' | O2' | 139.2° | 152.0° |
| C4' | C3' | C2' | C1' | 19.9° | 34.2° |
| C3' | C4' | C5' | H5'1 | 21.8° | 64.5° |
| C3' | C4' | C5' | H5'2 | 99.7° | 55.4° |
| C4' | C3' | O3' | HA | 108.0° | 180.0° |
| C4' | C3' | C2' | H2' | 102.1° | 83.8° |
| O4' | C1' | C2' | C3' | 35.9° | 36.4° |
| O4' | C1' | C2' | O2' | 152.1° | 154.3° |
| O4' | C1' | C2' | N1 | 132.4° | 118.9° |
| O4' | C1' | C2' | H1' | 120.0° | 118.8° |
| O4' | C1' | N1 | H1' | 117.6° | 122.1° |
| O4' | C1' | N1 | C2 | 86.9° | 178.6° |
| O4' | C1' | N1 | C6 | 94.8° | 1.2° |
| C1' | O4' | C4' | H4' | 148.3° | 121.3° |
| O4' | C1' | C2' | H2' | 88.9° | 81.5° |
| O3' | C3' | C2' | H3' | 116.9° | 123.5° |
| O3' | C3' | C2' | O2' | 99.3° | 89.8° |
| O3' | C3' | C2' | C1' | 141.3° | 152.3° |
| O3' | C3' | C4' | H4' | 0.6° | 20.0° |
| O3' | C3' | C2' | H2' | 19.4° | 34.4° |
| C3' | C2' | O2' | C1' | 111.9° | 111.6° |
| C3' | C2' | O2' | H2' | 125.3° | 124.2° |
| C3' | C2' | C1' | H2' | 124.7° | 118.0° |
| C3' | C2' | C1' | N1 | 168.3° | 155.3° |
| C2' | C3' | C4' | H4' | 122.1° | 98.2° |
| C3' | C2' | C1' | H1' | 84.1° | 82.4° |
| C2' | C3' | O3' | HA | 10.2° | 67.1° |
| C3' | C2' | O2' | HB | 25.2° | 61.5° |
| O2' | C2' | C1' | H2' | 119.1° | 124.1° |
| O2' | C2' | C1' | N1 | 75.5° | 86.7° |
| O2' | C2' | C3' | H3' | 17.6° | 33.7° |
| O2' | C2' | C1' | H1' | 32.0° | 35.5° |
| C2' | C1' | N1 | H1' | 115.4° | 122.2° |
| C2' | C1' | N1 | C2 | 40.2° | 62.9° |
| C2' | C1' | N1 | C6 | 138.1° | 116.9° |
| C1' | C2' | C3' | H3' | 101.8° | 84.1° |
| C1' | C2' | O2' | HB | 86.7° | 173.0° |
| C1' | N1 | C2 | C6 | 178.3° | 179.8° |
| C1' | N1 | C2 | O2 | 1.5° | 0.0° |
| C1' | N1 | C2 | N3 | 178.6° | 180.0° |
| N1 | C1' | C2' | H2' | 43.6° | 37.4° |
| C1' | N1 | C6 | C5 | 178.6° | 179.7° |
| C1' | N1 | C6 | H6 | 1.4° | 0.0° |
| N1 | C2 | O2 | N3 | 179.8° | 180.0° |
| N1 | C2 | N3 | C4 | 0.3° | 0.0° |
| C2 | N1 | C1' | H1' | 155.6° | 59.3° |
| C2 | N1 | C6 | C5 | 0.1° | 0.5° |
| C2 | N1 | C6 | H6 | 179.9° | 179.7° |
| C6 | N1 | C2 | O2 | 179.8° | 179.8° |
| C6 | N1 | C2 | N3 | 0.4° | 0.2° |
| N1 | C6 | C5 | C4 | 0.1° | 0.5° |
| C6 | N1 | C1' | H1' | 22.7° | 120.9° |
| N1 | C6 | C5 | H6 | 180.0° | 179.8° |
| N1 | C6 | C5 | H5 | 179.9° | 179.8° |
| O2 | C2 | N3 | C4 | 179.8° | 180.0° |
| C2 | N3 | C4 | N4 | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.0° | 0.0° |
| N3 | C4 | N4 | C5 | 179.9° | 180.0° |
| N3 | C4 | N4 | H41N | 180.0° | 0.0° |
| N3 | C4 | N4 | H42N | 0.0° | 180.0° |
| N3 | C4 | C5 | C6 | 0.2° | 0.3° |
| N3 | C4 | C5 | H5 | 179.8° | 180.0° |
| C4 | N4 | H41N | H42N | 180.0° | 180.0° |
| N4 | C4 | C5 | C6 | 179.8° | 179.7° |
| N4 | C4 | C5 | H5 | 0.2° | 0.0° |
| C5 | C4 | N4 | H41N | 0.1° | 180.0° |
| C5 | C4 | N4 | H42N | 179.9° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.7° |
| C4 | C5 | C6 | H6 | 179.9° | 179.7° |
| H5'1 | C5' | C4' | H4' | 144.6° | 174.4° |
| H5'2 | C5' | C4' | H4' | 23.1° | 65.6° |
| H4' | C4' | C3' | H3' | 117.6° | 143.4° |
| H3' | C3' | O3' | HA | 130.4° | 56.6° |
| H3' | C3' | C2' | H2' | 136.3° | 157.9° |
| H1' | C1' | C2' | H2' | 151.1° | 159.6° |
| H2' | C2' | O2' | HB | 150.5° | 62.8° |
| H5 | C5 | C6 | H6 | 0.1° | 0.0° |
