5SI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | N1 | sing | 1.35Å | 1.41Å | |
| N1 | C1' | sing | 1.46Å | 1.47Å | |
| N1 | C2 | sing | 1.37Å | 1.35Å | |
| C3 | C2 | doub | 1.34Å | 1.40Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | C3 | sing | 1.46Å | 1.39Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | C4 | doub | 1.41Å | 1.48Å | Aromatic |
| C37 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C40 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.47Å | 1.49Å | |
| S36 | C6 | doub | 1.71Å | 1.60Å | |
| O5' | PA | sing | 1.61Å | 1.61Å | |
| PA | O2A | doub | 1.48Å | 1.51Å | |
| PA | O3A | sing | 1.61Å | 1.61Å | |
| PA | O1A | sing | 1.61Å | 1.51Å | |
| O3A | PB | sing | 1.61Å | 1.61Å | |
| O2B | PB | doub | 1.48Å | 1.51Å | |
| O1B | PB | sing | 1.61Å | 1.52Å | |
| PB | O3B | sing | 1.61Å | 1.60Å | |
| O3B | PG | sing | 1.61Å | 1.61Å | |
| O2G | PG | doub | 1.48Å | 1.51Å | |
| PG | O1G | sing | 1.61Å | 1.51Å | |
| PG | O3G | sing | 1.61Å | 1.51Å | |
| C2' | C1' | sing | 1.54Å | 1.52Å | |
| C1' | O4' | sing | 1.44Å | 1.43Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| O1A | HO1A | sing | 0.97Å | 0.95Å | |
| O1B | HO1B | sing | 0.97Å | 0.95Å | |
| O1G | HO1G | sing | 0.97Å | 0.95Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'A | sing | 1.09Å | 1.10Å | |
| O3' | C3' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.55Å | 1.52Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C38 | C37 | doub | 1.38Å | 1.40Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C39 | C38 | sing | 1.39Å | 1.40Å | Aromatic |
| C41 | C38 | sing | 1.51Å | 1.51Å | |
| C39 | C40 | doub | 1.38Å | 1.40Å | Aromatic |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| O3G | HO3G | sing | 0.97Å | 0.95Å | |
| C4' | O4' | sing | 1.44Å | 1.43Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| C41 | H41B | sing | 1.09Å | 1.10Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | N1 | C1' | 119.2° | 118.9° |
| C6 | N1 | C2 | 121.0° | 122.2° |
| N1 | C6 | C5 | 118.8° | 119.3° |
| N1 | C6 | S36 | 119.9° | 120.3° |
| C1' | N1 | C2 | 119.7° | 118.9° |
| N1 | C1' | C2' | 113.1° | 110.4° |
| N1 | C1' | O4' | 109.5° | 110.4° |
| N1 | C1' | H1' | 106.0° | 110.4° |
| N1 | C2 | C3 | 123.0° | 122.4° |
| N1 | C2 | H2 | 118.5° | 118.8° |
| C3 | C2 | H2 | 118.5° | 118.9° |
| C2 | C3 | C4 | 121.2° | 119.4° |
| C2 | C3 | H3 | 119.4° | 120.2° |
| C4 | C3 | H3 | 119.4° | 120.3° |
| C3 | C4 | C5 | 118.7° | 118.4° |
| C3 | C4 | C37 | 122.0° | 122.0° |
| C5 | C4 | C37 | 119.2° | 119.6° |
| C4 | C5 | C40 | 119.3° | 119.8° |
| C4 | C5 | C6 | 117.3° | 118.3° |
| C4 | C37 | C38 | 119.9° | 119.6° |
| C4 | C37 | H37 | 120.1° | 120.2° |
| C40 | C5 | C6 | 123.4° | 122.0° |
| C5 | C40 | C39 | 119.4° | 119.5° |
| C5 | C40 | H40 | 120.3° | 120.2° |
| C5 | C6 | S36 | 121.3° | 120.4° |
| O5' | PA | O2A | 108.5° | 109.5° |
| O5' | PA | O3A | 98.1° | 109.5° |
| O5' | PA | O1A | 111.1° | 109.4° |
| PA | O5' | C5' | 122.1° | 123.0° |
| O2A | PA | O3A | 110.3° | 109.5° |
| O2A | PA | O1A | 119.1° | 109.5° |
| O3A | PA | O1A | 107.7° | 109.5° |
| PA | O3A | PB | 122.0° | 134.0° |
| PA | O1A | HO1A | 109.5° | 114.0° |
| O3A | PB | O2B | 108.6° | 109.4° |
| O3A | PB | O1B | 110.0° | 109.5° |
| O3A | PB | O3B | 98.9° | 109.5° |
| O2B | PB | O1B | 120.2° | 109.5° |
| O2B | PB | O3B | 107.9° | 109.5° |
| O1B | PB | O3B | 109.2° | 109.5° |
| PB | O1B | HO1B | 109.5° | 114.1° |
| PB | O3B | PG | 120.9° | 134.0° |
| O3B | PG | O2G | 104.8° | 109.5° |
| O3B | PG | O1G | 103.4° | 109.5° |
| O3B | PG | O3G | 103.4° | 109.5° |
| O2G | PG | O1G | 114.6° | 109.5° |
| O2G | PG | O3G | 114.8° | 109.5° |
| O1G | PG | O3G | 113.9° | 109.5° |
| PG | O1G | HO1G | 109.5° | 113.9° |
| PG | O3G | HO3G | 109.5° | 114.0° |
| C2' | C1' | O4' | 106.3° | 104.8° |
| C2' | C1' | H1' | 109.2° | 110.5° |
| C1' | C2' | C3' | 104.6° | 104.1° |
| C1' | C2' | H2' | 111.1° | 110.5° |
| C1' | C2' | H2'A | 111.1° | 110.5° |
| O4' | C1' | H1' | 112.8° | 110.4° |
| C1' | O4' | C4' | 111.8° | 105.3° |
| C3' | C2' | H2' | 111.1° | 110.5° |
| C3' | C2' | H2'A | 111.1° | 110.5° |
| C2' | C3' | O3' | 109.9° | 110.5° |
| C2' | C3' | C4' | 105.3° | 104.0° |
| C2' | C3' | H3' | 111.6° | 110.5° |
| H2' | C2' | H2'A | 107.8° | 110.6° |
| O3' | C3' | C4' | 108.5° | 110.5° |
| O3' | C3' | H3' | 108.5° | 110.6° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C4' | C3' | H3' | 112.9° | 110.5° |
| C3' | C4' | O4' | 106.6° | 104.8° |
| C3' | C4' | C5' | 112.8° | 110.4° |
| C3' | C4' | H4' | 110.3° | 110.4° |
| C38 | C37 | H37 | 120.1° | 120.2° |
| C37 | C38 | C39 | 121.0° | 120.7° |
| C37 | C38 | C41 | 119.0° | 119.7° |
| C39 | C38 | C41 | 120.0° | 119.6° |
| C38 | C39 | C40 | 121.2° | 120.8° |
| C38 | C39 | H39 | 119.4° | 119.7° |
| C38 | C41 | H41 | 109.5° | 109.4° |
| C38 | C41 | H41A | 109.5° | 109.5° |
| C38 | C41 | H41B | 109.5° | 109.4° |
| C40 | C39 | H39 | 119.4° | 119.6° |
| C39 | C40 | H40 | 120.3° | 120.3° |
| O4' | C4' | C5' | 112.6° | 110.4° |
| O4' | C4' | H4' | 110.5° | 110.4° |
| C5' | C4' | H4' | 104.1° | 110.4° |
| C4' | C5' | O5' | 108.8° | 109.5° |
| C4' | C5' | H5' | 109.7° | 109.5° |
| C4' | C5' | H5'A | 109.7° | 109.5° |
| H41 | C41 | H41A | 109.5° | 109.5° |
| H41 | C41 | H41B | 109.4° | 109.5° |
| H41A | C41 | H41B | 109.5° | 109.5° |
| O5' | C5' | H5' | 109.7° | 109.5° |
| O5' | C5' | H5'A | 109.7° | 109.4° |
| H5' | C5' | H5'A | 109.2° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | N1 | C1' | C2 | 177.8° | 179.7° |
| C6 | N1 | C2 | C3 | 1.4° | 0.3° |
| C6 | N1 | C2 | H2 | 178.6° | 179.8° |
| N1 | C6 | C5 | C4 | 0.7° | 0.4° |
| N1 | C6 | C5 | C40 | 179.3° | 179.7° |
| N1 | C6 | C5 | S36 | 178.8° | 179.6° |
| C6 | N1 | C1' | C2' | 85.6° | 117.9° |
| C6 | N1 | C1' | O4' | 156.0° | 126.8° |
| C6 | N1 | C1' | H1' | 34.0° | 4.5° |
| C1' | N1 | C2 | C3 | 179.1° | 180.0° |
| C1' | N1 | C2 | H2 | 0.8° | 0.1° |
| C1' | N1 | C6 | C5 | 179.2° | 179.8° |
| C1' | N1 | C6 | S36 | 2.0° | 0.2° |
| N1 | C1' | C2' | O4' | 120.2° | 118.8° |
| N1 | C1' | C2' | H1' | 117.8° | 122.3° |
| N1 | C1' | O4' | H1' | 117.8° | 122.3° |
| N1 | C1' | C2' | C3' | 141.6° | 142.8° |
| N1 | C1' | C2' | H2' | 98.4° | 98.6° |
| N1 | C1' | C2' | H2'A | 21.6° | 24.1° |
| N1 | C1' | O4' | C4' | 134.4° | 159.4° |
| N1 | C2 | C3 | H2 | 180.0° | 179.9° |
| N1 | C2 | C3 | C4 | 0.6° | 0.1° |
| N1 | C2 | C3 | H3 | 179.4° | 180.0° |
| C2 | N1 | C6 | C5 | 1.4° | 0.5° |
| C2 | N1 | C6 | S36 | 179.8° | 179.9° |
| C2 | N1 | C1' | C2' | 96.6° | 61.8° |
| C2 | N1 | C1' | O4' | 21.8° | 53.5° |
| C2 | N1 | C1' | H1' | 143.7° | 175.8° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C2 | C3 | C4 | C37 | 179.9° | 180.0° |
| H2 | C2 | C3 | C4 | 179.4° | 180.0° |
| H2 | C2 | C3 | H3 | 0.6° | 0.0° |
| C3 | C4 | C5 | C37 | 179.7° | 180.0° |
| C3 | C4 | C5 | C40 | 179.9° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.2° |
| C3 | C4 | C37 | C38 | 179.8° | 180.0° |
| C3 | C4 | C37 | H37 | 0.2° | 0.0° |
| H3 | C3 | C4 | C5 | 179.8° | 180.0° |
| H3 | C3 | C4 | C37 | 0.1° | 0.0° |
| C4 | C5 | C40 | C6 | 180.0° | 179.8° |
| C4 | C5 | C6 | S36 | 179.4° | 180.0° |
| C5 | C4 | C37 | C38 | 0.1° | 0.0° |
| C5 | C4 | C37 | H37 | 179.9° | 180.0° |
| C4 | C5 | C40 | C39 | 0.3° | 0.0° |
| C4 | C5 | C40 | H40 | 179.7° | 180.0° |
| C37 | C4 | C5 | C40 | 0.2° | 0.0° |
| C37 | C4 | C5 | C6 | 179.8° | 179.8° |
| C4 | C37 | C38 | H37 | 180.0° | 179.9° |
| C4 | C37 | C38 | C39 | 0.0° | 0.0° |
| C4 | C37 | C38 | C41 | 179.8° | 180.0° |
| C40 | C5 | C6 | S36 | 0.5° | 0.1° |
| C5 | C40 | C39 | C38 | 0.2° | 0.1° |
| C5 | C40 | C39 | H40 | 180.0° | 179.9° |
| C5 | C40 | C39 | H39 | 179.9° | 180.0° |
| C6 | C5 | C40 | C39 | 179.8° | 179.9° |
| C6 | C5 | C40 | H40 | 0.2° | 0.2° |
| O5' | PA | O2A | O3A | 106.3° | 120.0° |
| O5' | PA | O2A | O1A | 128.4° | 119.9° |
| O5' | PA | O3A | O1A | 115.3° | 120.0° |
| O5' | PA | O3A | PB | 96.1° | 165.0° |
| O5' | PA | O1A | HO1A | 124.1° | 60.1° |
| PA | O5' | C5' | C4' | 106.0° | 180.0° |
| PA | O5' | C5' | H5' | 14.0° | 59.9° |
| PA | O5' | C5' | H5'A | 134.0° | 60.0° |
| O2A | PA | O3A | O1A | 131.5° | 120.0° |
| O2A | PA | O3A | PB | 150.8° | 45.0° |
| O2A | PA | O1A | HO1A | 108.7° | 180.0° |
| O2A | PA | O5' | C5' | 31.1° | 54.9° |
| PA | O3A | PB | O2B | 151.9° | 45.0° |
| PA | O3A | PB | O1B | 18.6° | 75.0° |
| PA | O3A | PB | O3B | 95.7° | 165.0° |
| O3A | PA | O1A | HO1A | 17.8° | 60.0° |
| O3A | PA | O5' | C5' | 83.5° | 174.9° |
| O1A | PA | O3A | PB | 19.2° | 75.0° |
| O1A | PA | O5' | C5' | 163.9° | 65.0° |
| O3A | PB | O2B | O1B | 127.8° | 120.0° |
| O3A | PB | O2B | O3B | 106.2° | 120.0° |
| O3A | PB | O1B | O3B | 107.5° | 120.0° |
| O3A | PB | O3B | PG | 114.1° | 160.0° |
| O3A | PB | O1B | HO1B | 89.4° | 60.0° |
| O2B | PB | O1B | O3B | 125.3° | 120.0° |
| O2B | PB | O3B | PG | 133.0° | 40.0° |
| O2B | PB | O1B | HO1B | 143.5° | 180.0° |
| O1B | PB | O3B | PG | 0.8° | 80.0° |
| PB | O3B | PG | O2G | 28.3° | 45.0° |
| PB | O3B | PG | O1G | 92.1° | 75.0° |
| PB | O3B | PG | O3G | 148.9° | 165.0° |
| O3B | PB | O1B | HO1B | 18.1° | 60.0° |
| O3B | PG | O2G | O1G | 112.6° | 120.0° |
| O3B | PG | O2G | O3G | 112.7° | 120.0° |
| O3B | PG | O1G | O3G | 111.5° | 120.0° |
| O3B | PG | O1G | HO1G | 113.4° | 60.0° |
| O3B | PG | O3G | HO3G | 113.5° | 180.0° |
| O2G | PG | O1G | O3G | 135.0° | 120.0° |
| O2G | PG | O1G | HO1G | 0.0° | 180.0° |
| O2G | PG | O3G | HO3G | 0.0° | 60.0° |
| O1G | PG | O3G | HO3G | 135.0° | 60.0° |
| O3G | PG | O1G | HO1G | 135.1° | 60.0° |
| C2' | C1' | O4' | H1' | 119.7° | 118.9° |
| C1' | C2' | C3' | H2' | 120.0° | 118.6° |
| C1' | C2' | C3' | H2'A | 120.0° | 118.7° |
| C1' | C2' | H2' | H2'A | 122.0° | 122.7° |
| C1' | C2' | C3' | O3' | 94.0° | 118.6° |
| C1' | C2' | C3' | C4' | 22.7° | 0.0° |
| C1' | C2' | C3' | H3' | 145.6° | 118.6° |
| C2' | C1' | O4' | C4' | 11.9° | 40.6° |
| O4' | C1' | C2' | C3' | 21.4° | 24.0° |
| O4' | C1' | C2' | H2' | 141.3° | 142.6° |
| O4' | C1' | C2' | H2'A | 98.6° | 94.7° |
| C1' | O4' | C4' | C3' | 2.7° | 40.5° |
| C1' | O4' | C4' | C5' | 121.5° | 159.4° |
| C1' | O4' | C4' | H4' | 122.6° | 78.2° |
| H1' | C1' | C2' | C3' | 100.6° | 94.9° |
| H1' | C1' | C2' | H2' | 19.3° | 23.8° |
| H1' | C1' | C2' | H2'A | 139.4° | 146.5° |
| H1' | C1' | O4' | C4' | 107.8° | 78.4° |
| C3' | C2' | H2' | H2'A | 121.9° | 122.7° |
| C2' | C3' | O3' | C4' | 114.7° | 114.6° |
| C2' | C3' | O3' | H3' | 122.3° | 122.7° |
| C2' | C3' | C4' | H3' | 122.0° | 118.6° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.5° |
| C2' | C3' | C4' | O4' | 16.1° | 24.0° |
| C2' | C3' | C4' | C5' | 108.0° | 142.8° |
| C2' | C3' | C4' | H4' | 136.1° | 94.8° |
| H2' | C2' | C3' | O3' | 26.0° | 0.0° |
| H2' | C2' | C3' | C4' | 142.7° | 118.7° |
| H2' | C2' | C3' | H3' | 94.4° | 122.8° |
| H2'A | C2' | C3' | O3' | 146.0° | 122.7° |
| H2'A | C2' | C3' | C4' | 97.3° | 118.7° |
| H2'A | C2' | C3' | H3' | 25.6° | 0.1° |
| O3' | C3' | C4' | H3' | 120.3° | 122.7° |
| O3' | C3' | C4' | O4' | 101.6° | 142.6° |
| O3' | C3' | C4' | C5' | 134.4° | 98.5° |
| O3' | C3' | C4' | H4' | 18.4° | 23.8° |
| C4' | C3' | O3' | HO3' | 65.3° | 176.1° |
| C3' | C4' | O4' | C5' | 124.2° | 118.8° |
| C3' | C4' | O4' | H4' | 119.9° | 118.8° |
| C3' | C4' | C5' | H4' | 119.6° | 122.3° |
| C3' | C4' | C5' | O5' | 147.2° | 175.0° |
| C3' | C4' | C5' | H5' | 92.8° | 55.0° |
| C3' | C4' | C5' | H5'A | 27.2° | 65.0° |
| H3' | C3' | O3' | HO3' | 57.7° | 61.2° |
| H3' | C3' | C4' | O4' | 138.1° | 94.6° |
| H3' | C3' | C4' | C5' | 14.0° | 24.2° |
| H3' | C3' | C4' | H4' | 101.9° | 146.5° |
| C37 | C38 | C39 | C41 | 179.8° | 180.0° |
| C37 | C38 | C39 | C40 | 0.0° | 0.1° |
| C37 | C38 | C39 | H39 | 180.0° | 180.0° |
| C37 | C38 | C41 | H41 | 90.1° | 90.0° |
| C37 | C38 | C41 | H41A | 149.9° | 150.0° |
| C37 | C38 | C41 | H41B | 29.9° | 30.0° |
| H37 | C37 | C38 | C39 | 180.0° | 179.9° |
| H37 | C37 | C38 | C41 | 0.1° | 0.0° |
| C38 | C39 | C40 | H39 | 180.0° | 180.0° |
| C38 | C39 | C40 | H40 | 179.8° | 180.0° |
| C39 | C38 | C41 | H41 | 90.1° | 90.1° |
| C39 | C38 | C41 | H41A | 29.9° | 30.0° |
| C39 | C38 | C41 | H41B | 149.9° | 150.0° |
| C41 | C38 | C39 | C40 | 179.9° | 180.0° |
| C41 | C38 | C39 | H39 | 0.2° | 0.0° |
| C38 | C41 | H41 | H41A | 120.0° | 120.0° |
| C38 | C41 | H41 | H41B | 120.0° | 119.9° |
| C38 | C41 | H41A | H41B | 120.0° | 120.0° |
| H39 | C39 | C40 | H40 | 0.1° | 0.0° |
| O4' | C4' | C5' | H4' | 119.7° | 122.4° |
| O4' | C4' | C5' | O5' | 26.4° | 69.6° |
| O4' | C4' | C5' | H5' | 146.5° | 170.3° |
| O4' | C4' | C5' | H5'A | 93.5° | 50.3° |
| C4' | C5' | O5' | H5' | 120.0° | 120.0° |
| C4' | C5' | O5' | H5'A | 120.0° | 120.0° |
| C4' | C5' | H5' | H5'A | 120.3° | 120.0° |
| H4' | C4' | C5' | O5' | 93.2° | 52.7° |
| H4' | C4' | C5' | H5' | 26.8° | 67.3° |
| H4' | C4' | C5' | H5'A | 146.8° | 172.7° |
| H41 | C41 | H41A | H41B | 119.9° | 120.0° |
| O5' | C5' | H5' | H5'A | 120.3° | 120.0° |
