YQS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1G | PG | doub | 1.48Å | 1.51Å | |
| S2A | PA | sing | 2.12Å | 1.90Å | |
| O1A | PA | doub | 1.48Å | 1.50Å | |
| O3G | PG | sing | 1.61Å | 1.51Å | |
| PG | O2G | sing | 1.61Å | 1.51Å | |
| PG | O3B | sing | 1.61Å | 1.60Å | |
| PA | O5' | sing | 1.61Å | 1.63Å | |
| PA | O3A | sing | 1.61Å | 1.63Å | |
| O5' | C5' | sing | 1.43Å | 1.42Å | |
| C5M | C5 | sing | 1.51Å | 1.51Å | |
| O3A | PB | sing | 1.61Å | 1.63Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| O3B | PB | sing | 1.61Å | 1.59Å | |
| O1B | PB | doub | 1.48Å | 1.51Å | |
| PB | O2B | sing | 1.61Å | 1.54Å | |
| C5 | C6 | doub | 1.35Å | 1.34Å | |
| C5 | C4 | sing | 1.42Å | 1.43Å | |
| C6 | N1 | sing | 1.37Å | 1.38Å | |
| O4 | C4 | doub | 1.22Å | 1.22Å | |
| O4' | C4' | sing | 1.44Å | 1.46Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C4 | N3 | sing | 1.35Å | 1.45Å | |
| C4' | C3' | sing | 1.55Å | 1.52Å | |
| N1 | C1' | sing | 1.46Å | 1.48Å | |
| N1 | C2 | sing | 1.35Å | 1.38Å | |
| C3' | O3' | sing | 1.43Å | 1.45Å | |
| C3' | C2' | sing | 1.55Å | 1.51Å | |
| N3 | C2 | sing | 1.35Å | 1.37Å | |
| C1' | C2' | sing | 1.54Å | 1.54Å | |
| C2 | O2 | doub | 1.22Å | 1.22Å | |
| C1' | H1 | sing | 1.09Å | 1.10Å | |
| C2' | H2 | sing | 1.09Å | 1.10Å | |
| C2' | H3 | sing | 1.09Å | 1.10Å | |
| C3' | H4 | sing | 1.09Å | 1.10Å | |
| C4' | H5 | sing | 1.09Å | 1.10Å | |
| C5' | H6 | sing | 1.09Å | 1.10Å | |
| C5' | H7 | sing | 1.09Å | 1.10Å | |
| C5M | H8 | sing | 1.09Å | 1.10Å | |
| C5M | H9 | sing | 1.09Å | 1.10Å | |
| C5M | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.08Å | 1.08Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å | |
| O2B | H13 | sing | 0.97Å | 0.95Å | |
| O2G | H14 | sing | 0.97Å | 0.95Å | |
| O3' | H15 | sing | 0.97Å | 0.95Å | |
| O3G | H16 | sing | 0.97Å | 0.95Å | |
| S2A | H17 | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1G | PG | O3G | 110.1° | 109.5° |
| O1G | PG | O2G | 110.0° | 109.4° |
| O1G | PG | O3B | 113.9° | 109.5° |
| S2A | PA | O1A | 111.0° | 109.4° |
| S2A | PA | O5' | 106.9° | 109.5° |
| S2A | PA | O3A | 105.8° | 109.5° |
| PA | S2A | H17 | 102.0° | 103.0° |
| O1A | PA | O5' | 109.3° | 109.5° |
| O1A | PA | O3A | 116.9° | 109.5° |
| O3G | PG | O2G | 112.2° | 109.5° |
| O3G | PG | O3B | 104.5° | 109.5° |
| PG | O3G | H16 | 109.5° | 114.0° |
| O2G | PG | O3B | 106.0° | 109.5° |
| PG | O2G | H14 | 109.5° | 113.9° |
| PG | O3B | PB | 122.9° | 134.0° |
| O5' | PA | O3A | 106.3° | 109.5° |
| PA | O5' | C5' | 118.3° | 123.0° |
| PA | O3A | PB | 137.7° | 134.0° |
| O5' | C5' | C4' | 110.0° | 109.5° |
| O5' | C5' | H6 | 109.3° | 109.5° |
| O5' | C5' | H7 | 109.4° | 109.5° |
| C5M | C5 | C6 | 120.9° | 120.5° |
| C5M | C5 | C4 | 119.8° | 120.4° |
| C5 | C5M | H8 | 109.5° | 109.5° |
| C5 | C5M | H9 | 109.5° | 109.5° |
| C5 | C5M | H10 | 109.5° | 109.4° |
| O3A | PB | O3B | 106.5° | 109.5° |
| O3A | PB | O1B | 115.4° | 109.5° |
| O3A | PB | O2B | 104.9° | 109.5° |
| C5' | C4' | O4' | 110.6° | 110.7° |
| C5' | C4' | C3' | 114.0° | 110.6° |
| C5' | C4' | H5 | 108.9° | 110.6° |
| C4' | C5' | H6 | 109.3° | 109.4° |
| C4' | C5' | H7 | 109.3° | 109.5° |
| O3B | PB | O1B | 108.2° | 109.5° |
| O3B | PB | O2B | 108.6° | 109.4° |
| O1B | PB | O2B | 112.9° | 109.4° |
| PB | O2B | H13 | 109.5° | 114.0° |
| C6 | C5 | C4 | 119.2° | 119.2° |
| C5 | C6 | N1 | 121.3° | 119.7° |
| C5 | C6 | H11 | 119.4° | 120.2° |
| C5 | C4 | O4 | 122.3° | 120.4° |
| C5 | C4 | N3 | 119.8° | 119.3° |
| C6 | N1 | C1' | 120.8° | 119.7° |
| C6 | N1 | C2 | 120.8° | 120.6° |
| N1 | C6 | H11 | 119.3° | 120.1° |
| O4 | C4 | N3 | 117.8° | 120.3° |
| C4' | O4' | C1' | 108.1° | 107.0° |
| O4' | C4' | C3' | 104.3° | 103.5° |
| O4' | C4' | H5 | 109.9° | 110.6° |
| O4' | C1' | N1 | 111.4° | 110.0° |
| O4' | C1' | C2' | 107.4° | 107.3° |
| O4' | C1' | H1 | 110.3° | 109.9° |
| C4 | N3 | C2 | 117.2° | 120.3° |
| C4 | N3 | H12 | 121.4° | 119.9° |
| C4' | C3' | O3' | 113.9° | 110.9° |
| C4' | C3' | C2' | 101.0° | 102.1° |
| C4' | C3' | H4 | 110.0° | 111.0° |
| C3' | C4' | H5 | 109.0° | 110.6° |
| C1' | N1 | C2 | 118.4° | 119.7° |
| N1 | C1' | C2' | 109.3° | 109.9° |
| N1 | C1' | H1 | 109.6° | 109.9° |
| N1 | C2 | N3 | 121.4° | 120.9° |
| N1 | C2 | O2 | 118.9° | 119.5° |
| O3' | C3' | C2' | 110.3° | 110.9° |
| O3' | C3' | H4 | 111.0° | 110.8° |
| C3' | O3' | H15 | 109.5° | 114.1° |
| C3' | C2' | C1' | 101.5° | 104.2° |
| C3' | C2' | H2 | 111.4° | 110.5° |
| C3' | C2' | H3 | 111.4° | 110.6° |
| C2' | C3' | H4 | 110.1° | 110.9° |
| N3 | C2 | O2 | 119.7° | 119.6° |
| C2 | N3 | H12 | 121.5° | 119.8° |
| C2' | C1' | H1 | 108.8° | 109.8° |
| C1' | C2' | H2 | 111.5° | 110.5° |
| C1' | C2' | H3 | 111.4° | 110.5° |
| H2 | C2' | H3 | 109.5° | 110.5° |
| H6 | C5' | H7 | 109.5° | 109.5° |
| H8 | C5M | H9 | 109.4° | 109.5° |
| H8 | C5M | H10 | 109.5° | 109.4° |
| H9 | C5M | H10 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1G | PG | O3G | O2G | 122.9° | 120.0° |
| O1G | PG | O3G | O3B | 122.8° | 120.0° |
| O1G | PG | O2G | O3B | 123.6° | 120.0° |
| O1G | PG | O3B | PB | 10.3° | 40.0° |
| O1G | PG | O2G | H14 | 0.0° | 180.0° |
| O1G | PG | O3G | H16 | 0.0° | 60.0° |
| S2A | PA | O1A | O5' | 117.7° | 120.0° |
| S2A | PA | O1A | O3A | 121.5° | 120.0° |
| S2A | PA | O5' | O3A | 112.6° | 120.0° |
| S2A | PA | O5' | C5' | 171.5° | 65.0° |
| S2A | PA | O3A | PB | 143.5° | 60.0° |
| O1A | PA | O5' | O3A | 127.1° | 120.0° |
| O1A | PA | O5' | C5' | 51.2° | 55.0° |
| O1A | PA | O3A | PB | 19.3° | 60.0° |
| O1A | PA | S2A | H17 | 0.0° | 180.0° |
| O3G | PG | O2G | O3B | 113.5° | 120.0° |
| O3G | PG | O3B | PB | 130.5° | 160.0° |
| O3G | PG | O2G | H14 | 122.9° | 60.0° |
| O2G | PG | O3B | PB | 110.8° | 80.0° |
| O2G | PG | O3G | H16 | 122.9° | 59.9° |
| PG | O3B | PB | O3A | 71.1° | 165.0° |
| PG | O3B | PB | O1B | 53.6° | 44.9° |
| PG | O3B | PB | O2B | 176.5° | 75.0° |
| O3B | PG | O2G | H14 | 123.6° | 60.0° |
| O3B | PG | O3G | H16 | 122.7° | 179.9° |
| O5' | PA | O3A | PB | 103.1° | 180.0° |
| PA | O5' | C5' | C4' | 136.5° | 180.0° |
| PA | O5' | C5' | H6 | 16.4° | 60.0° |
| PA | O5' | C5' | H7 | 103.4° | 60.0° |
| O5' | PA | S2A | H17 | 119.2° | 60.0° |
| O3A | PA | O5' | C5' | 75.9° | 175.0° |
| PA | O3A | PB | O3B | 111.8° | 160.0° |
| PA | O3A | PB | O1B | 8.3° | 40.0° |
| PA | O3A | PB | O2B | 133.2° | 80.0° |
| O3A | PA | S2A | H17 | 127.8° | 60.0° |
| O5' | C5' | C4' | H6 | 120.0° | 120.0° |
| O5' | C5' | C4' | H7 | 120.1° | 120.0° |
| O5' | C5' | C4' | O4' | 61.4° | 70.9° |
| O5' | C5' | C4' | C3' | 55.8° | 175.0° |
| O5' | C5' | C4' | H5 | 177.7° | 52.1° |
| O5' | C5' | H6 | H7 | 119.8° | 120.1° |
| C5M | C5 | C6 | C4 | 179.0° | 179.7° |
| C5M | C5 | C6 | N1 | 179.7° | 180.0° |
| C5M | C5 | C4 | O4 | 0.4° | 0.0° |
| C5M | C5 | C4 | N3 | 176.7° | 180.0° |
| C5 | C5M | H8 | H9 | 120.0° | 120.1° |
| C5 | C5M | H8 | H10 | 120.0° | 120.0° |
| C5 | C5M | H9 | H10 | 120.0° | 119.9° |
| C5M | C5 | C6 | H11 | 0.3° | 0.3° |
| O3A | PB | O3B | O1B | 124.7° | 120.0° |
| O3A | PB | O3B | O2B | 112.4° | 120.0° |
| O3A | PB | O1B | O2B | 120.6° | 120.0° |
| O3A | PB | O2B | H13 | 126.5° | 59.9° |
| C5' | C4' | O4' | C3' | 123.0° | 118.6° |
| C5' | C4' | O4' | H5 | 120.3° | 123.0° |
| C5' | C4' | O4' | C1' | 148.1° | 158.6° |
| C5' | C4' | C3' | H5 | 121.9° | 122.9° |
| C5' | C4' | C3' | O3' | 80.6° | 86.1° |
| C5' | C4' | C3' | C2' | 161.1° | 155.7° |
| C5' | C4' | C3' | H4 | 44.7° | 37.5° |
| C4' | C5' | H6 | H7 | 119.8° | 119.9° |
| O3B | PB | O1B | O2B | 120.2° | 119.9° |
| O3B | PB | O2B | H13 | 120.0° | 60.1° |
| O1B | PB | O2B | H13 | 0.0° | 180.0° |
| C5 | C6 | N1 | H11 | 180.0° | 179.7° |
| C6 | C5 | C4 | O4 | 178.5° | 179.7° |
| C6 | C5 | C4 | N3 | 4.3° | 0.3° |
| C5 | C6 | N1 | C1' | 179.9° | 180.0° |
| C5 | C6 | N1 | C2 | 0.3° | 0.0° |
| C6 | C5 | C5M | H8 | 180.0° | 89.9° |
| C6 | C5 | C5M | H9 | 60.0° | 149.9° |
| C6 | C5 | C5M | H10 | 60.0° | 30.0° |
| C4 | C5 | C6 | N1 | 0.7° | 0.3° |
| C5 | C4 | O4 | N3 | 177.2° | 180.0° |
| C5 | C4 | N3 | C2 | 6.8° | 0.0° |
| C4 | C5 | C5M | H8 | 1.1° | 89.8° |
| C4 | C5 | C5M | H9 | 121.1° | 30.3° |
| C4 | C5 | C5M | H10 | 119.0° | 150.3° |
| C4 | C5 | C6 | H11 | 179.3° | 180.0° |
| C5 | C4 | N3 | H12 | 173.2° | 180.0° |
| C6 | N1 | C1' | O4' | 41.9° | 127.1° |
| C6 | N1 | C1' | C2 | 179.8° | 180.0° |
| C6 | N1 | C2 | N3 | 2.4° | 0.3° |
| C6 | N1 | C1' | C2' | 76.6° | 115.0° |
| C6 | N1 | C2 | O2 | 178.8° | 180.0° |
| C6 | N1 | C1' | H1 | 164.3° | 6.0° |
| O4 | C4 | N3 | C2 | 176.0° | 180.0° |
| O4 | C4 | N3 | H12 | 4.0° | 0.1° |
| O4' | C4' | C3' | H5 | 117.3° | 118.4° |
| C4' | O4' | C1' | N1 | 119.4° | 146.0° |
| O4' | C4' | C3' | O3' | 158.6° | 155.2° |
| O4' | C4' | C3' | C2' | 40.3° | 37.0° |
| C4' | O4' | C1' | C2' | 0.3° | 26.5° |
| C4' | O4' | C1' | H1 | 118.7° | 92.9° |
| O4' | C4' | C3' | H4 | 76.0° | 81.2° |
| O4' | C4' | C5' | H6 | 178.6° | 169.1° |
| O4' | C4' | C5' | H7 | 58.7° | 49.2° |
| C1' | O4' | C4' | C3' | 25.1° | 40.1° |
| O4' | C1' | N1 | C2' | 118.5° | 118.0° |
| O4' | C1' | N1 | H1 | 122.4° | 121.1° |
| O4' | C1' | N1 | C2 | 137.9° | 53.0° |
| O4' | C1' | C2' | C3' | 25.4° | 2.0° |
| O4' | C1' | C2' | H1 | 119.4° | 119.4° |
| O4' | C1' | C2' | H2 | 144.1° | 120.7° |
| O4' | C1' | C2' | H3 | 93.3° | 116.8° |
| C1' | O4' | C4' | H5 | 91.6° | 78.4° |
| C4 | N3 | C2 | N1 | 5.8° | 0.3° |
| C4 | N3 | C2 | H12 | 180.0° | 179.9° |
| C4 | N3 | C2 | O2 | 175.4° | 180.0° |
| C4' | C3' | O3' | C2' | 112.8° | 112.7° |
| C4' | C3' | O3' | H4 | 124.8° | 123.7° |
| C4' | C3' | C2' | H4 | 116.3° | 118.3° |
| C4' | C3' | C2' | C1' | 39.1° | 20.9° |
| C4' | C3' | C2' | H2 | 157.8° | 97.8° |
| C4' | C3' | C2' | H3 | 79.6° | 139.6° |
| C3' | C4' | C5' | H6 | 64.3° | 55.0° |
| C3' | C4' | C5' | H7 | 175.9° | 64.9° |
| C4' | C3' | O3' | H15 | 180.0° | 174.1° |
| N1 | C1' | C2' | C3' | 95.6° | 121.6° |
| C1' | N1 | C2 | N3 | 177.4° | 179.8° |
| N1 | C1' | C2' | H1 | 119.6° | 121.0° |
| C1' | N1 | C2 | O2 | 1.4° | 0.0° |
| N1 | C1' | C2' | H2 | 23.1° | 119.7° |
| N1 | C1' | C2' | H3 | 145.7° | 2.9° |
| C1' | N1 | C6 | H11 | 0.1° | 0.3° |
| N1 | C2 | N3 | O2 | 178.8° | 179.8° |
| C2 | N1 | C1' | C2' | 103.6° | 65.0° |
| C2 | N1 | C1' | H1 | 15.5° | 174.0° |
| C2 | N1 | C6 | H11 | 179.7° | 179.7° |
| N1 | C2 | N3 | H12 | 174.2° | 179.7° |
| O3' | C3' | C2' | H4 | 122.9° | 123.5° |
| O3' | C3' | C2' | C1' | 159.9° | 139.1° |
| O3' | C3' | C2' | H2 | 81.3° | 20.4° |
| O3' | C3' | C2' | H3 | 41.2° | 102.2° |
| O3' | C3' | C4' | H5 | 41.3° | 36.8° |
| C3' | C2' | C1' | H2 | 118.7° | 118.7° |
| C3' | C2' | C1' | H3 | 118.7° | 118.8° |
| C3' | C2' | C1' | H1 | 144.8° | 117.4° |
| C3' | C2' | H2 | H3 | 123.7° | 122.6° |
| C2' | C3' | C4' | H5 | 77.0° | 81.4° |
| C2' | C3' | O3' | H15 | 67.2° | 61.4° |
| C1' | C2' | H2 | H3 | 123.8° | 122.6° |
| C1' | C2' | C3' | H4 | 77.2° | 97.4° |
| O2 | C2 | N3 | H12 | 4.6° | 0.1° |
| H1 | C1' | C2' | H2 | 96.5° | 1.3° |
| H1 | C1' | C2' | H3 | 26.1° | 123.8° |
| H2 | C2' | C3' | H4 | 41.5° | 143.9° |
| H3 | C2' | C3' | H4 | 164.1° | 21.3° |
| H4 | C3' | C4' | H5 | 166.7° | 160.4° |
| H4 | C3' | O3' | H15 | 55.2° | 62.1° |
| H5 | C4' | C5' | H6 | 57.7° | 67.9° |
| H5 | C4' | C5' | H7 | 62.2° | 172.1° |
| H8 | C5M | H9 | H10 | 120.0° | 120.0° |
