UPP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.34Å | 1.37Å | |
| N1 | C6 | sing | 1.37Å | 1.38Å | |
| N1 | C1B | sing | 1.46Å | 1.46Å | |
| C2 | N3 | sing | 1.35Å | 1.37Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| N3 | C4 | sing | 1.35Å | 1.39Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C4 | C5 | sing | 1.42Å | 1.42Å | |
| C4 | O4 | doub | 1.22Å | 1.22Å | |
| C5 | C6 | doub | 1.35Å | 1.31Å | |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C1B | C2B | sing | 1.54Å | 1.51Å | |
| C1B | O4' | sing | 1.44Å | 1.39Å | |
| C1B | H1' | sing | 1.09Å | 1.11Å | |
| C2B | O2' | sing | 1.43Å | 1.44Å | |
| C2B | C3B | sing | 1.55Å | 1.54Å | |
| C2B | H2B | sing | 1.09Å | 1.12Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C3B | C4B | sing | 1.54Å | 1.53Å | |
| C3B | O3' | sing | 1.43Å | 1.44Å | |
| C3B | H3B | sing | 1.09Å | 1.12Å | |
| C4B | O4' | sing | 1.45Å | 1.44Å | |
| C4B | C5B | sing | 1.53Å | 1.52Å | |
| C4B | H4B | sing | 1.09Å | 1.11Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C5B | O5' | sing | 1.43Å | 1.44Å | |
| C5B | H5'1 | sing | 1.09Å | 1.12Å | |
| C5B | H5'2 | sing | 1.09Å | 1.12Å | |
| O5' | PA | sing | 1.61Å | 1.59Å | |
| PA | O1A | doub | 1.48Å | 1.49Å | |
| PA | O2A | sing | 1.61Å | 1.49Å | |
| PA | O3A | sing | 1.61Å | 1.64Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| O3A | PB | sing | 1.61Å | 1.56Å | |
| PB | O1B | doub | 1.48Å | 1.58Å | |
| PB | O2B | sing | 1.61Å | 1.46Å | |
| PB | O3B | sing | 1.61Å | 1.48Å | |
| O2B | HOB2 | sing | 0.97Å | 0.95Å | |
| O3B | C1' | sing | 1.36Å | 1.48Å | |
| C1' | C2' | doub | 1.39Å | 1.42Å | Aromatic |
| C1' | C6' | sing | 1.39Å | 1.42Å | Aromatic |
| C2' | C3' | sing | 1.38Å | 1.42Å | Aromatic |
| C2' | H2' | sing | 1.08Å | 1.10Å | |
| C3' | C4' | doub | 1.38Å | 1.42Å | Aromatic |
| C3' | H3' | sing | 1.08Å | 1.10Å | |
| C4' | C5' | sing | 1.38Å | 1.42Å | Aromatic |
| C4' | H4' | sing | 1.08Å | 1.10Å | |
| C5' | C6' | doub | 1.38Å | 1.42Å | Aromatic |
| C5' | H5' | sing | 1.08Å | 1.10Å | |
| C6' | H6' | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 122.9° | 120.6° |
| C2 | N1 | C1B | 114.5° | 119.7° |
| N1 | C2 | N3 | 112.9° | 120.9° |
| N1 | C2 | O2 | 124.4° | 119.5° |
| C6 | N1 | C1B | 122.2° | 119.7° |
| N1 | C6 | C5 | 122.4° | 119.7° |
| N1 | C6 | H6 | 121.6° | 120.2° |
| N1 | C1B | C2B | 117.4° | 110.4° |
| N1 | C1B | O4' | 107.6° | 110.5° |
| N1 | C1B | H1' | 104.9° | 110.3° |
| N3 | C2 | O2 | 122.7° | 119.6° |
| C2 | N3 | C4 | 127.2° | 120.3° |
| C2 | N3 | HN3 | 115.5° | 119.8° |
| C4 | N3 | HN3 | 117.3° | 119.9° |
| N3 | C4 | C5 | 115.3° | 119.4° |
| N3 | C4 | O4 | 116.6° | 120.4° |
| C5 | C4 | O4 | 128.0° | 120.3° |
| C4 | C5 | C6 | 118.8° | 119.1° |
| C4 | C5 | H5 | 124.6° | 120.5° |
| C6 | C5 | H5 | 116.6° | 120.4° |
| C5 | C6 | H6 | 116.0° | 120.1° |
| C2B | C1B | O4' | 108.2° | 104.8° |
| C2B | C1B | H1' | 104.3° | 110.4° |
| C1B | C2B | O2' | 110.9° | 110.6° |
| C1B | C2B | C3B | 100.2° | 104.0° |
| C1B | C2B | H2B | 114.3° | 110.5° |
| O4' | C1B | H1' | 114.7° | 110.4° |
| C1B | O4' | C4B | 109.8° | 105.3° |
| O2' | C2B | C3B | 108.8° | 110.5° |
| O2' | C2B | H2B | 106.4° | 110.5° |
| C2B | O2' | HO2' | 110.8° | 106.8° |
| C3B | C2B | H2B | 116.2° | 110.5° |
| C2B | C3B | C4B | 101.7° | 104.2° |
| C2B | C3B | O3' | 114.5° | 110.5° |
| C2B | C3B | H3B | 112.7° | 110.5° |
| C4B | C3B | O3' | 113.1° | 110.5° |
| C4B | C3B | H3B | 114.1° | 110.5° |
| C3B | C4B | O4' | 105.6° | 104.7° |
| C3B | C4B | C5B | 118.8° | 110.7° |
| C3B | C4B | H4B | 105.5° | 110.2° |
| O3' | C3B | H3B | 101.3° | 110.5° |
| C3B | O3' | HO3' | 114.4° | 106.8° |
| O4' | C4B | C5B | 108.0° | 110.4° |
| O4' | C4B | H4B | 116.8° | 110.4° |
| C5B | C4B | H4B | 102.8° | 110.3° |
| C4B | C5B | O5' | 108.4° | 109.5° |
| C4B | C5B | H5'1 | 112.6° | 109.5° |
| C4B | C5B | H5'2 | 112.7° | 109.4° |
| O5' | C5B | H5'1 | 112.6° | 109.5° |
| O5' | C5B | H5'2 | 112.6° | 109.4° |
| C5B | O5' | PA | 121.5° | 106.8° |
| H5'1 | C5B | H5'2 | 97.8° | 109.5° |
| O5' | PA | O1A | 110.7° | 109.5° |
| O5' | PA | O2A | 111.5° | 109.5° |
| O5' | PA | O3A | 103.3° | 109.5° |
| O1A | PA | O2A | 113.5° | 109.4° |
| O1A | PA | O3A | 110.4° | 109.5° |
| O2A | PA | O3A | 107.0° | 109.5° |
| PA | O2A | HOA2 | 111.5° | 106.7° |
| PA | O3A | PB | 132.4° | 106.8° |
| O3A | PB | O1B | 102.8° | 109.5° |
| O3A | PB | O2B | 117.8° | 109.4° |
| O3A | PB | O3B | 107.5° | 109.4° |
| O1B | PB | O2B | 108.2° | 109.5° |
| O1B | PB | O3B | 113.6° | 109.5° |
| O2B | PB | O3B | 107.2° | 109.5° |
| PB | O2B | HOB2 | 117.7° | 106.8° |
| PB | O3B | C1' | 128.1° | 106.8° |
| O3B | C1' | C2' | 122.1° | 120.1° |
| O3B | C1' | C6' | 117.2° | 120.1° |
| C2' | C1' | C6' | 120.3° | 119.9° |
| C1' | C2' | C3' | 119.6° | 119.9° |
| C1' | C2' | H2' | 120.2° | 120.1° |
| C1' | C6' | C5' | 120.0° | 120.0° |
| C1' | C6' | H6' | 120.1° | 120.0° |
| C3' | C2' | H2' | 120.2° | 120.0° |
| C2' | C3' | C4' | 120.1° | 120.1° |
| C2' | C3' | H3' | 120.0° | 120.0° |
| C4' | C3' | H3' | 119.9° | 120.0° |
| C3' | C4' | C5' | 120.2° | 120.1° |
| C3' | C4' | H4' | 119.8° | 120.0° |
| C5' | C4' | H4' | 120.0° | 119.9° |
| C4' | C5' | C6' | 119.7° | 120.1° |
| C4' | C5' | H5' | 120.2° | 120.0° |
| C6' | C5' | H5' | 120.1° | 120.0° |
| C5' | C6' | H6' | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | C1B | 172.4° | 179.7° |
| N1 | C2 | N3 | O2 | 178.3° | 179.5° |
| N1 | C2 | N3 | C4 | 1.0° | 0.5° |
| N1 | C2 | N3 | HN3 | 179.1° | 179.8° |
| C2 | N1 | C6 | C5 | 6.5° | 0.3° |
| C2 | N1 | C6 | H6 | 173.6° | 179.8° |
| C2 | N1 | C1B | C2B | 125.6° | 60.3° |
| C2 | N1 | C1B | O4' | 112.2° | 55.2° |
| C2 | N1 | C1B | H1' | 10.4° | 177.4° |
| C6 | N1 | C2 | N3 | 1.4° | 0.5° |
| C6 | N1 | C2 | O2 | 179.6° | 180.0° |
| N1 | C6 | C5 | C4 | 8.7° | 0.0° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| N1 | C6 | C5 | H5 | 171.3° | 180.0° |
| C6 | N1 | C1B | C2B | 61.5° | 120.0° |
| C6 | N1 | C1B | O4' | 60.8° | 124.5° |
| C6 | N1 | C1B | H1' | 176.6° | 2.3° |
| C1B | N1 | C2 | N3 | 171.6° | 179.8° |
| C1B | N1 | C2 | O2 | 6.6° | 0.3° |
| C1B | N1 | C6 | C5 | 165.9° | 180.0° |
| C1B | N1 | C6 | H6 | 14.0° | 0.1° |
| N1 | C1B | C2B | O4' | 121.9° | 119.0° |
| N1 | C1B | C2B | H1' | 115.5° | 122.2° |
| N1 | C1B | O4' | H1' | 116.3° | 122.2° |
| N1 | C1B | C2B | O2' | 90.8° | 98.3° |
| N1 | C1B | C2B | C3B | 154.5° | 143.0° |
| N1 | C1B | C2B | H2B | 29.5° | 24.4° |
| N1 | C1B | O4' | C4B | 142.2° | 159.4° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.7° |
| C2 | N3 | C4 | C5 | 1.3° | 0.3° |
| C2 | N3 | C4 | O4 | 175.2° | 179.7° |
| O2 | C2 | N3 | C4 | 177.3° | 180.0° |
| O2 | C2 | N3 | HN3 | 2.7° | 0.3° |
| N3 | C4 | C5 | O4 | 176.0° | 180.0° |
| N3 | C4 | C5 | C6 | 6.1° | 0.0° |
| N3 | C4 | C5 | H5 | 173.9° | 180.0° |
| HN3 | N3 | C4 | C5 | 178.7° | 180.0° |
| HN3 | N3 | C4 | O4 | 4.9° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 171.3° | 180.0° |
| O4 | C4 | C5 | C6 | 169.9° | 179.9° |
| O4 | C4 | C5 | H5 | 10.1° | 0.0° |
| H5 | C5 | C6 | H6 | 8.7° | 0.0° |
| C2B | C1B | O4' | H1' | 115.9° | 118.9° |
| C1B | C2B | O2' | C3B | 109.2° | 114.7° |
| C1B | C2B | O2' | H2B | 124.9° | 122.7° |
| C1B | C2B | C3B | H2B | 123.6° | 118.6° |
| C1B | C2B | O2' | HO2' | 180.0° | 176.1° |
| C1B | C2B | C3B | C4B | 36.8° | 0.1° |
| C1B | C2B | C3B | O3' | 85.4° | 118.6° |
| C1B | C2B | C3B | H3B | 159.4° | 118.7° |
| C2B | C1B | O4' | C4B | 14.4° | 40.5° |
| O4' | C1B | C2B | O2' | 147.3° | 142.7° |
| O4' | C1B | C2B | C3B | 32.5° | 24.0° |
| O4' | C1B | C2B | H2B | 92.4° | 94.6° |
| C1B | O4' | C4B | C3B | 10.5° | 40.3° |
| C1B | O4' | C4B | C5B | 117.5° | 159.5° |
| C1B | O4' | C4B | H4B | 127.3° | 78.3° |
| H1' | C1B | C2B | O2' | 24.7° | 23.8° |
| H1' | C1B | C2B | C3B | 90.0° | 94.9° |
| H1' | C1B | C2B | H2B | 145.0° | 146.5° |
| H1' | C1B | O4' | C4B | 101.5° | 78.4° |
| O2' | C2B | C3B | H2B | 120.0° | 122.6° |
| O2' | C2B | C3B | C4B | 153.1° | 118.9° |
| O2' | C2B | C3B | O3' | 30.9° | 0.1° |
| O2' | C2B | C3B | H3B | 84.2° | 122.5° |
| C3B | C2B | O2' | HO2' | 70.8° | 61.4° |
| C2B | C3B | C4B | O3' | 123.2° | 118.8° |
| C2B | C3B | C4B | H3B | 121.7° | 118.7° |
| C2B | C3B | O3' | H3B | 121.6° | 122.6° |
| C2B | C3B | C4B | O4' | 30.2° | 23.8° |
| C2B | C3B | C4B | C5B | 91.1° | 142.7° |
| C2B | C3B | C4B | H4B | 154.4° | 94.9° |
| C2B | C3B | O3' | HO3' | 180.0° | 63.3° |
| H2B | C2B | O2' | HO2' | 55.1° | 61.2° |
| H2B | C2B | C3B | C4B | 86.8° | 118.5° |
| H2B | C2B | C3B | O3' | 150.9° | 122.7° |
| H2B | C2B | C3B | H3B | 35.8° | 0.1° |
| C4B | C3B | O3' | H3B | 122.6° | 122.6° |
| C3B | C4B | O4' | C5B | 128.0° | 119.1° |
| C3B | C4B | O4' | H4B | 116.8° | 118.6° |
| C3B | C4B | C5B | H4B | 115.9° | 122.3° |
| C4B | C3B | O3' | HO3' | 64.2° | 178.1° |
| C3B | C4B | C5B | O5' | 46.8° | 176.9° |
| C3B | C4B | C5B | H5'1 | 172.1° | 63.1° |
| C3B | C4B | C5B | H5'2 | 78.4° | 56.9° |
| O3' | C3B | C4B | O4' | 93.0° | 142.6° |
| O3' | C3B | C4B | C5B | 145.7° | 98.5° |
| O3' | C3B | C4B | H4B | 31.2° | 23.8° |
| H3B | C3B | C4B | O4' | 151.9° | 94.9° |
| H3B | C3B | C4B | C5B | 30.6° | 24.0° |
| H3B | C3B | C4B | H4B | 84.0° | 146.4° |
| H3B | C3B | O3' | HO3' | 58.4° | 59.4° |
| O4' | C4B | C5B | H4B | 124.0° | 122.3° |
| O4' | C4B | C5B | O5' | 73.2° | 61.5° |
| O4' | C4B | C5B | H5'1 | 52.1° | 178.5° |
| O4' | C4B | C5B | H5'2 | 161.5° | 58.5° |
| C4B | C5B | O5' | H5'1 | 125.3° | 120.0° |
| C4B | C5B | O5' | H5'2 | 125.3° | 120.0° |
| C4B | C5B | H5'1 | H5'2 | 118.6° | 120.0° |
| C4B | C5B | O5' | PA | 160.9° | 180.0° |
| H4B | C4B | C5B | O5' | 162.8° | 60.9° |
| H4B | C4B | C5B | H5'1 | 72.0° | 59.2° |
| H4B | C4B | C5B | H5'2 | 37.5° | 179.2° |
| O5' | C5B | H5'1 | H5'2 | 118.5° | 120.0° |
| C5B | O5' | PA | O1A | 166.7° | 60.0° |
| C5B | O5' | PA | O2A | 39.5° | 60.0° |
| C5B | O5' | PA | O3A | 75.1° | 180.0° |
| H5'1 | C5B | O5' | PA | 35.6° | 60.0° |
| H5'2 | C5B | O5' | PA | 73.8° | 60.0° |
| O5' | PA | O1A | O2A | 126.2° | 120.0° |
| O5' | PA | O1A | O3A | 113.7° | 120.0° |
| O5' | PA | O2A | O3A | 112.3° | 120.0° |
| O5' | PA | O2A | HOA2 | 180.0° | 60.0° |
| O5' | PA | O3A | PB | 48.3° | 179.9° |
| O1A | PA | O2A | O3A | 122.0° | 120.0° |
| O1A | PA | O2A | HOA2 | 54.3° | 180.0° |
| O1A | PA | O3A | PB | 70.0° | 60.0° |
| O2A | PA | O3A | PB | 166.1° | 60.0° |
| O3A | PA | O2A | HOA2 | 67.7° | 60.0° |
| PA | O3A | PB | O1B | 81.1° | 60.0° |
| PA | O3A | PB | O2B | 37.6° | 60.0° |
| PA | O3A | PB | O3B | 158.8° | 180.0° |
| O3A | PB | O1B | O2B | 125.3° | 120.0° |
| O3A | PB | O1B | O3B | 115.8° | 120.0° |
| O3A | PB | O2B | O3B | 121.3° | 119.9° |
| O3A | PB | O2B | HOB2 | 180.0° | 59.9° |
| O3A | PB | O3B | C1' | 64.1° | 179.9° |
| O1B | PB | O2B | O3B | 122.9° | 120.0° |
| O1B | PB | O2B | HOB2 | 64.2° | 180.0° |
| O1B | PB | O3B | C1' | 177.1° | 60.0° |
| O2B | PB | O3B | C1' | 63.5° | 60.0° |
| O3B | PB | O2B | HOB2 | 58.7° | 60.0° |
| PB | O3B | C1' | C2' | 91.1° | 90.0° |
| PB | O3B | C1' | C6' | 96.1° | 90.3° |
| O3B | C1' | C2' | C6' | 172.6° | 179.8° |
| O3B | C1' | C2' | C3' | 173.3° | 179.9° |
| O3B | C1' | C2' | H2' | 6.7° | 0.0° |
| O3B | C1' | C6' | C5' | 174.3° | 179.6° |
| O3B | C1' | C6' | H6' | 5.7° | 0.3° |
| C1' | C2' | C3' | H2' | 180.0° | 180.0° |
| C1' | C2' | C3' | C4' | 1.3° | 0.0° |
| C1' | C2' | C3' | H3' | 178.6° | 180.0° |
| C2' | C1' | C6' | C5' | 1.3° | 0.6° |
| C2' | C1' | C6' | H6' | 178.6° | 179.9° |
| C6' | C1' | C2' | C3' | 0.8° | 0.3° |
| C6' | C1' | C2' | H2' | 179.2° | 179.7° |
| C1' | C6' | C5' | C4' | 2.5° | 0.7° |
| C1' | C6' | C5' | H6' | 180.0° | 179.3° |
| C1' | C6' | C5' | H5' | 177.5° | 179.7° |
| C2' | C3' | C4' | H3' | 179.9° | 180.0° |
| C2' | C3' | C4' | C5' | 2.5° | 0.1° |
| C2' | C3' | C4' | H4' | 177.5° | 180.0° |
| H2' | C2' | C3' | C4' | 178.7° | 180.0° |
| H2' | C2' | C3' | H3' | 1.4° | 0.0° |
| C3' | C4' | C5' | H4' | 180.0° | 179.9° |
| C3' | C4' | C5' | C6' | 3.1° | 0.4° |
| C3' | C4' | C5' | H5' | 177.0° | 179.9° |
| H3' | C3' | C4' | C5' | 177.5° | 179.9° |
| H3' | C3' | C4' | H4' | 2.5° | 0.0° |
| C4' | C5' | C6' | H5' | 180.0° | 179.6° |
| C4' | C5' | C6' | H6' | 177.5° | 180.0° |
| H4' | C4' | C5' | C6' | 177.0° | 179.7° |
| H4' | C4' | C5' | H5' | 3.0° | 0.1° |
| H5' | C5' | C6' | H6' | 2.5° | 0.4° |
