DCT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.34Å | 1.33Å | |
| N1 | C6 | sing | 1.36Å | 1.36Å | |
| N1 | C1' | sing | 1.46Å | 1.38Å | |
| C2 | N3 | sing | 1.33Å | 1.32Å | |
| C2 | O2 | doub | 1.22Å | 1.24Å | |
| N3 | C4 | doub | 1.33Å | 1.32Å | |
| C4 | C5 | sing | 1.41Å | 1.41Å | |
| C4 | N4 | sing | 1.38Å | 1.33Å | |
| C5 | C6 | doub | 1.35Å | 1.33Å | |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| N4 | HN41 | sing | 0.97Å | 1.02Å | |
| N4 | HN42 | sing | 0.97Å | 1.02Å | |
| C1' | C2' | sing | 1.54Å | 1.53Å | |
| C1' | O4' | sing | 1.44Å | 1.35Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| C2' | C3' | sing | 1.55Å | 1.50Å | |
| C2' | H2' | sing | 1.09Å | 1.12Å | |
| C2' | H2'' | sing | 1.09Å | 1.12Å | |
| C3' | C4' | sing | 1.55Å | 1.55Å | |
| C3' | H3'1 | sing | 1.09Å | 1.11Å | |
| C3' | H3'2 | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.45Å | 1.47Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| C5' | O5' | sing | 1.43Å | 1.45Å | |
| C5' | H5' | sing | 1.09Å | 1.11Å | |
| C5' | H5'' | sing | 1.09Å | 1.12Å | |
| O5' | PA | sing | 1.61Å | 1.63Å | |
| PA | O1A | doub | 1.48Å | 1.54Å | |
| PA | O2A | sing | 1.61Å | 1.42Å | |
| PA | O3A | sing | 1.61Å | 1.61Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| O3A | PB | sing | 1.61Å | 1.57Å | |
| PB | O1B | doub | 1.48Å | 1.56Å | |
| PB | O2B | sing | 1.61Å | 1.50Å | |
| PB | O3B | sing | 1.61Å | 1.54Å | |
| O2B | HOB2 | sing | 0.97Å | 0.95Å | |
| O3B | PG | sing | 1.61Å | 1.59Å | |
| PG | O1G | doub | 1.48Å | 1.47Å | |
| PG | O2G | sing | 1.61Å | 1.48Å | |
| PG | O3G | sing | 1.61Å | 1.57Å | |
| O2G | HOG2 | sing | 0.97Å | 0.95Å | |
| O3G | HOG3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 118.7° | 120.3° |
| C2 | N1 | C1' | 120.4° | 119.8° |
| N1 | C2 | N3 | 122.0° | 121.1° |
| N1 | C2 | O2 | 119.2° | 119.5° |
| C6 | N1 | C1' | 119.6° | 119.9° |
| N1 | C6 | C5 | 121.8° | 119.3° |
| N1 | C6 | H6 | 119.9° | 120.3° |
| N1 | C1' | C2' | 111.5° | 109.9° |
| N1 | C1' | O4' | 112.5° | 109.9° |
| N1 | C1' | H1' | 104.9° | 109.9° |
| N3 | C2 | O2 | 118.8° | 119.4° |
| C2 | N3 | C4 | 119.6° | 120.7° |
| N3 | C4 | C5 | 121.1° | 119.6° |
| N3 | C4 | N4 | 117.6° | 120.2° |
| C5 | C4 | N4 | 121.2° | 120.2° |
| C4 | C5 | C6 | 116.5° | 119.0° |
| C4 | C5 | H5 | 124.2° | 120.5° |
| C4 | N4 | HN41 | 117.6° | 120.0° |
| C4 | N4 | HN42 | 109.3° | 120.1° |
| C6 | C5 | H5 | 119.2° | 120.5° |
| C5 | C6 | H6 | 118.3° | 120.4° |
| HN41 | N4 | HN42 | 109.3° | 120.0° |
| C2' | C1' | O4' | 105.9° | 107.4° |
| C2' | C1' | H1' | 111.5° | 109.8° |
| C1' | C2' | C3' | 102.6° | 104.2° |
| C1' | C2' | H2' | 114.8° | 110.6° |
| C1' | C2' | H2'' | 114.8° | 110.5° |
| O4' | C1' | H1' | 110.6° | 109.9° |
| C1' | O4' | C4' | 112.4° | 106.9° |
| C3' | C2' | H2' | 114.8° | 110.5° |
| C3' | C2' | H2'' | 114.8° | 110.4° |
| C2' | C3' | C4' | 103.4° | 102.1° |
| C2' | C3' | H3'1 | 114.5° | 110.9° |
| C2' | C3' | H3'2 | 114.5° | 110.9° |
| H2' | C2' | H2'' | 95.6° | 110.5° |
| C4' | C3' | H3'1 | 114.5° | 110.9° |
| C4' | C3' | H3'2 | 114.5° | 110.9° |
| C3' | C4' | O4' | 103.5° | 103.6° |
| C3' | C4' | C5' | 114.4° | 110.7° |
| C3' | C4' | H4' | 111.2° | 110.6° |
| H3'1 | C3' | H3'2 | 95.9° | 110.8° |
| O4' | C4' | C5' | 112.2° | 110.7° |
| O4' | C4' | H4' | 113.5° | 110.5° |
| C5' | C4' | H4' | 102.4° | 110.5° |
| C4' | C5' | O5' | 110.3° | 109.5° |
| C4' | C5' | H5' | 111.9° | 109.4° |
| C4' | C5' | H5'' | 111.9° | 109.4° |
| O5' | C5' | H5' | 111.9° | 109.5° |
| O5' | C5' | H5'' | 111.9° | 109.5° |
| C5' | O5' | PA | 123.6° | 106.8° |
| H5' | C5' | H5'' | 98.5° | 109.4° |
| O5' | PA | O1A | 111.3° | 109.5° |
| O5' | PA | O2A | 107.7° | 109.5° |
| O5' | PA | O3A | 102.2° | 109.5° |
| O1A | PA | O2A | 121.2° | 109.4° |
| O1A | PA | O3A | 110.0° | 109.4° |
| O2A | PA | O3A | 102.5° | 109.5° |
| PA | O2A | HOA2 | 107.7° | 106.8° |
| PA | O3A | PB | 133.3° | 106.9° |
| O3A | PB | O1B | 109.6° | 109.4° |
| O3A | PB | O2B | 108.6° | 109.5° |
| O3A | PB | O3B | 97.7° | 109.5° |
| O1B | PB | O2B | 117.8° | 109.5° |
| O1B | PB | O3B | 108.7° | 109.5° |
| O2B | PB | O3B | 112.4° | 109.4° |
| PB | O2B | HOB2 | 108.5° | 106.8° |
| PB | O3B | PG | 129.8° | 106.8° |
| O3B | PG | O1G | 106.1° | 109.5° |
| O3B | PG | O2G | 108.1° | 109.5° |
| O3B | PG | O3G | 95.1° | 109.5° |
| O1G | PG | O2G | 117.6° | 109.5° |
| O1G | PG | O3G | 112.7° | 109.5° |
| O2G | PG | O3G | 114.3° | 109.5° |
| PG | O2G | HOG2 | 108.1° | 106.8° |
| PG | O3G | HOG3 | 95.1° | 106.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | C1' | 167.1° | 180.0° |
| N1 | C2 | N3 | O2 | 178.6° | 180.0° |
| N1 | C2 | N3 | C4 | 1.8° | 0.1° |
| C2 | N1 | C6 | C5 | 5.7° | 0.3° |
| C2 | N1 | C6 | H6 | 174.2° | 180.0° |
| C2 | N1 | C1' | C2' | 101.6° | 59.7° |
| C2 | N1 | C1' | O4' | 139.5° | 58.3° |
| C2 | N1 | C1' | H1' | 19.2° | 179.3° |
| C6 | N1 | C2 | N3 | 5.2° | 0.1° |
| C6 | N1 | C2 | O2 | 176.2° | 180.0° |
| N1 | C6 | C5 | C4 | 2.8° | 0.5° |
| N1 | C6 | C5 | H6 | 180.0° | 179.6° |
| N1 | C6 | C5 | H5 | 177.2° | 180.0° |
| C6 | N1 | C1' | C2' | 65.3° | 120.2° |
| C6 | N1 | C1' | O4' | 53.6° | 121.8° |
| C6 | N1 | C1' | H1' | 173.9° | 0.7° |
| C1' | N1 | C2 | N3 | 172.2° | 180.0° |
| C1' | N1 | C2 | O2 | 9.2° | 0.0° |
| C1' | N1 | C6 | C5 | 172.9° | 179.7° |
| C1' | N1 | C6 | H6 | 7.1° | 0.1° |
| N1 | C1' | C2' | O4' | 122.7° | 119.6° |
| N1 | C1' | C2' | H1' | 116.9° | 121.0° |
| N1 | C1' | O4' | H1' | 116.9° | 121.0° |
| N1 | C1' | C2' | C3' | 156.8° | 121.5° |
| N1 | C1' | C2' | H2' | 77.9° | 119.8° |
| N1 | C1' | C2' | H2'' | 31.6° | 2.8° |
| N1 | C1' | O4' | C4' | 144.0° | 145.8° |
| C2 | N3 | C4 | C5 | 1.2° | 0.3° |
| C2 | N3 | C4 | N4 | 179.5° | 180.0° |
| O2 | C2 | N3 | C4 | 179.6° | 180.0° |
| N3 | C4 | C5 | N4 | 178.2° | 179.7° |
| N3 | C4 | C5 | C6 | 0.7° | 0.5° |
| N3 | C4 | C5 | H5 | 179.3° | 180.0° |
| N3 | C4 | N4 | HN41 | 180.0° | 0.1° |
| N3 | C4 | N4 | HN42 | 54.7° | 179.7° |
| C4 | C5 | C6 | H5 | 180.0° | 179.5° |
| C4 | C5 | C6 | H6 | 177.1° | 179.8° |
| C5 | C4 | N4 | HN41 | 1.7° | 179.8° |
| C5 | C4 | N4 | HN42 | 127.0° | 0.6° |
| N4 | C4 | C5 | C6 | 178.9° | 179.8° |
| N4 | C4 | C5 | H5 | 1.0° | 0.3° |
| C4 | N4 | HN41 | HN42 | 125.3° | 179.6° |
| H5 | C5 | C6 | H6 | 2.8° | 0.3° |
| C2' | C1' | O4' | H1' | 121.0° | 119.4° |
| C1' | C2' | C3' | H2' | 125.3° | 118.8° |
| C1' | C2' | C3' | H2'' | 125.3° | 118.6° |
| C1' | C2' | H2' | H2'' | 120.7° | 122.6° |
| C1' | C2' | C3' | C4' | 32.2° | 20.9° |
| C1' | C2' | C3' | H3'1 | 93.0° | 139.1° |
| C1' | C2' | C3' | H3'2 | 157.5° | 97.3° |
| C2' | C1' | O4' | C4' | 21.9° | 26.3° |
| O4' | C1' | C2' | C3' | 34.1° | 1.9° |
| O4' | C1' | C2' | H2' | 159.4° | 120.7° |
| O4' | C1' | C2' | H2'' | 91.2° | 116.7° |
| C1' | O4' | C4' | C3' | 1.0° | 39.9° |
| C1' | O4' | C4' | C5' | 124.9° | 158.6° |
| C1' | O4' | C4' | H4' | 119.6° | 78.6° |
| H1' | C1' | C2' | C3' | 86.3° | 117.6° |
| H1' | C1' | C2' | H2' | 39.0° | 1.2° |
| H1' | C1' | C2' | H2'' | 148.4° | 123.8° |
| H1' | C1' | O4' | C4' | 99.1° | 93.1° |
| C3' | C2' | H2' | H2'' | 120.7° | 122.5° |
| C2' | C3' | C4' | H3'1 | 125.3° | 118.2° |
| C2' | C3' | C4' | H3'2 | 125.3° | 118.2° |
| C2' | C3' | H3'1 | H3'2 | 120.4° | 123.7° |
| C2' | C3' | C4' | O4' | 20.4° | 37.0° |
| C2' | C3' | C4' | C5' | 102.1° | 155.7° |
| C2' | C3' | C4' | H4' | 142.6° | 81.5° |
| H2' | C2' | C3' | C4' | 157.5° | 97.9° |
| H2' | C2' | C3' | H3'1 | 32.2° | 20.3° |
| H2' | C2' | C3' | H3'2 | 77.2° | 143.9° |
| H2'' | C2' | C3' | C4' | 93.0° | 139.6° |
| H2'' | C2' | C3' | H3'1 | 141.7° | 102.2° |
| H2'' | C2' | C3' | H3'2 | 32.3° | 21.4° |
| C4' | C3' | H3'1 | H3'2 | 120.4° | 123.6° |
| C3' | C4' | O4' | C5' | 123.9° | 118.7° |
| C3' | C4' | O4' | H4' | 120.6° | 118.5° |
| C3' | C4' | C5' | H4' | 120.4° | 122.9° |
| C3' | C4' | C5' | O5' | 83.3° | 180.0° |
| C3' | C4' | C5' | H5' | 151.4° | 60.0° |
| C3' | C4' | C5' | H5'' | 42.0° | 59.9° |
| H3'1 | C3' | C4' | O4' | 104.9° | 155.2° |
| H3'1 | C3' | C4' | C5' | 132.6° | 86.1° |
| H3'1 | C3' | C4' | H4' | 17.3° | 36.8° |
| H3'2 | C3' | C4' | O4' | 145.7° | 81.2° |
| H3'2 | C3' | C4' | C5' | 23.2° | 37.5° |
| H3'2 | C3' | C4' | H4' | 92.1° | 160.3° |
| O4' | C4' | C5' | H4' | 122.0° | 122.8° |
| O4' | C4' | C5' | O5' | 34.3° | 65.7° |
| O4' | C4' | C5' | H5' | 91.0° | 174.3° |
| O4' | C4' | C5' | H5'' | 159.6° | 54.4° |
| C4' | C5' | O5' | H5' | 125.3° | 120.0° |
| C4' | C5' | O5' | H5'' | 125.2° | 120.0° |
| C4' | C5' | H5' | H5'' | 117.8° | 119.9° |
| C4' | C5' | O5' | PA | 160.4° | 180.0° |
| H4' | C4' | C5' | O5' | 156.4° | 57.1° |
| H4' | C4' | C5' | H5' | 31.1° | 62.9° |
| H4' | C4' | C5' | H5'' | 78.4° | 177.2° |
| O5' | C5' | H5' | H5'' | 117.8° | 120.0° |
| C5' | O5' | PA | O1A | 33.4° | 60.0° |
| C5' | O5' | PA | O2A | 168.5° | 60.0° |
| C5' | O5' | PA | O3A | 83.9° | 180.0° |
| H5' | C5' | O5' | PA | 74.3° | 60.0° |
| H5'' | C5' | O5' | PA | 35.1° | 60.0° |
| O5' | PA | O1A | O2A | 128.2° | 120.0° |
| O5' | PA | O1A | O3A | 112.5° | 120.0° |
| O5' | PA | O2A | O3A | 107.4° | 120.1° |
| O5' | PA | O2A | HOA2 | 180.0° | 60.0° |
| O5' | PA | O3A | PB | 94.4° | 180.0° |
| O1A | PA | O2A | O3A | 122.9° | 119.9° |
| O1A | PA | O2A | HOA2 | 50.3° | 180.0° |
| O1A | PA | O3A | PB | 23.8° | 60.0° |
| O2A | PA | O3A | PB | 154.0° | 59.9° |
| O3A | PA | O2A | HOA2 | 72.6° | 60.1° |
| PA | O3A | PB | O1B | 138.2° | 60.0° |
| PA | O3A | PB | O2B | 8.2° | 60.0° |
| PA | O3A | PB | O3B | 108.6° | 180.0° |
| O3A | PB | O1B | O2B | 124.8° | 120.0° |
| O3A | PB | O1B | O3B | 105.8° | 120.0° |
| O3A | PB | O2B | O3B | 107.0° | 120.1° |
| O3A | PB | O2B | HOB2 | 180.0° | 60.0° |
| O3A | PB | O3B | PG | 89.6° | 180.0° |
| O1B | PB | O2B | O3B | 127.7° | 120.0° |
| O1B | PB | O2B | HOB2 | 54.7° | 179.9° |
| O1B | PB | O3B | PG | 156.6° | 60.0° |
| O2B | PB | O3B | PG | 24.2° | 60.0° |
| O3B | PB | O2B | HOB2 | 73.0° | 60.1° |
| PB | O3B | PG | O1G | 21.2° | 60.0° |
| PB | O3B | PG | O2G | 105.8° | 180.0° |
| PB | O3B | PG | O3G | 136.6° | 60.0° |
| O3B | PG | O1G | O2G | 121.0° | 120.0° |
| O3B | PG | O1G | O3G | 102.7° | 120.0° |
| O3B | PG | O2G | O3G | 104.4° | 120.0° |
| O3B | PG | O2G | HOG2 | 180.0° | 180.0° |
| O3B | PG | O3G | HOG3 | 180.0° | 60.0° |
| O1G | PG | O2G | O3G | 135.6° | 120.0° |
| O1G | PG | O2G | HOG2 | 60.1° | 60.0° |
| O1G | PG | O3G | HOG3 | 70.3° | 180.0° |
| O2G | PG | O3G | HOG3 | 67.5° | 60.0° |
| O3G | PG | O2G | HOG2 | 75.6° | 60.0° |
