A1CU0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | doub | 1.22Å | 1.28Å | |
| C2 | N4 | sing | 1.33Å | 1.36Å | |
| C2 | N1 | sing | 1.35Å | 1.39Å | |
| C2' | C1' | sing | 1.54Å | 1.53Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| N4 | C4 | doub | 1.33Å | 1.36Å | |
| C1' | N1 | sing | 1.47Å | 1.47Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| O3' | C3' | sing | 1.43Å | 1.41Å | |
| N1 | C5 | sing | 1.36Å | 1.37Å | |
| C3' | C4' | sing | 1.54Å | 1.50Å | |
| C4 | N2 | sing | 1.38Å | 1.35Å | |
| C4 | C1 | sing | 1.41Å | 1.39Å | |
| O4' | C4' | sing | 1.44Å | 1.42Å | |
| C4' | C5' | sing | 1.53Å | 1.50Å | |
| C5 | C1 | doub | 1.35Å | 1.38Å | |
| O1B | PB | doub | 1.48Å | 1.51Å | |
| C5' | O5' | sing | 1.43Å | 1.37Å | |
| O3A | PB | sing | 1.61Å | 1.56Å | |
| O3A | PA | sing | 1.61Å | 1.56Å | |
| O5' | PA | sing | 1.61Å | 1.56Å | |
| PB | O2B | sing | 1.61Å | 1.49Å | |
| PB | O3B | sing | 1.61Å | 1.56Å | |
| PA | S1 | doub | 1.86Å | 2.00Å | |
| PA | O2A | sing | 1.61Å | 1.50Å | |
| O1G | PG | doub | 1.48Å | 1.51Å | |
| O3B | PG | sing | 1.61Å | 1.58Å | |
| PG | O3G | sing | 1.61Å | 1.53Å | |
| PG | O2G | sing | 1.61Å | 1.49Å | |
| C2' | H2'1 | sing | 1.09Å | 1.10Å | |
| C2' | H2'2 | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.08Å | 1.08Å | |
| N2 | HN41 | sing | 0.97Å | 1.00Å | |
| N2 | HN42 | sing | 0.97Å | 1.00Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| O2B | H13 | sing | 0.97Å | 0.95Å | |
| O2G | H14 | sing | 0.97Å | 0.95Å | |
| O3G | H15 | sing | 0.97Å | 0.95Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| O2A | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | N4 | 119.3° | 119.5° |
| O2 | C2 | N1 | 120.5° | 119.5° |
| N4 | C2 | N1 | 120.2° | 121.0° |
| C2 | N4 | C4 | 119.8° | 120.7° |
| C2 | N1 | C1' | 117.0° | 119.8° |
| C2 | N1 | C5 | 120.0° | 120.4° |
| C1' | C2' | C3' | 103.5° | 104.1° |
| C2' | C1' | N1 | 109.3° | 110.4° |
| C2' | C1' | O4' | 106.5° | 104.8° |
| C1' | C2' | H2'1 | 110.9° | 110.5° |
| C1' | C2' | H2'2 | 111.0° | 110.5° |
| C2' | C1' | H1' | 108.4° | 110.4° |
| C2' | C3' | O3' | 115.5° | 110.5° |
| C2' | C3' | C4' | 104.7° | 104.1° |
| C3' | C2' | H2'1 | 111.0° | 110.5° |
| C3' | C2' | H2'2 | 110.9° | 110.5° |
| C2' | C3' | H3' | 108.7° | 110.5° |
| N4 | C4 | N2 | 118.6° | 120.2° |
| N4 | C4 | C1 | 121.8° | 119.6° |
| N1 | C1' | O4' | 113.4° | 110.3° |
| C1' | N1 | C5 | 123.0° | 119.8° |
| N1 | C1' | H1' | 109.1° | 110.3° |
| C1' | O4' | C4' | 109.7° | 105.3° |
| O4' | C1' | H1' | 109.9° | 110.5° |
| O3' | C3' | C4' | 108.5° | 110.5° |
| O3' | C3' | H3' | 110.2° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| N1 | C5 | C1 | 120.3° | 119.3° |
| N1 | C5 | H6 | 119.8° | 120.4° |
| C3' | C4' | O4' | 108.8° | 104.8° |
| C3' | C4' | C5' | 100.8° | 110.4° |
| C4' | C3' | H3' | 109.0° | 110.5° |
| C3' | C4' | H4' | 114.2° | 110.4° |
| N2 | C4 | C1 | 119.7° | 120.1° |
| C4 | N2 | HN41 | 120.0° | 120.1° |
| C4 | N2 | HN42 | 120.0° | 120.0° |
| C4 | C1 | C5 | 117.9° | 119.0° |
| C4 | C1 | H5 | 121.0° | 120.5° |
| O4' | C4' | C5' | 101.4° | 110.3° |
| O4' | C4' | H4' | 115.7° | 110.4° |
| C4' | C5' | O5' | 108.0° | 109.4° |
| C5' | C4' | H4' | 114.2° | 110.5° |
| C4' | C5' | H5'1 | 109.8° | 109.5° |
| C4' | C5' | H5'2 | 109.8° | 109.5° |
| C1 | C5 | H6 | 119.9° | 120.4° |
| C5 | C1 | H5 | 121.1° | 120.5° |
| O1B | PB | O3A | 104.1° | 109.4° |
| O1B | PB | O2B | 101.8° | 109.5° |
| O1B | PB | O3B | 114.3° | 109.5° |
| C5' | O5' | PA | 101.9° | 123.0° |
| O5' | C5' | H5'1 | 109.8° | 109.5° |
| O5' | C5' | H5'2 | 109.8° | 109.4° |
| PB | O3A | PA | 126.0° | 134.0° |
| O3A | PB | O2B | 116.8° | 109.5° |
| O3A | PB | O3B | 102.1° | 109.5° |
| O3A | PA | O5' | 108.3° | 109.5° |
| O3A | PA | S1 | 103.5° | 109.5° |
| O3A | PA | O2A | 118.4° | 109.5° |
| O5' | PA | S1 | 113.8° | 109.5° |
| O5' | PA | O2A | 107.2° | 109.5° |
| O2B | PB | O3B | 117.4° | 109.5° |
| PB | O2B | H13 | 109.5° | 114.0° |
| PB | O3B | PG | 119.5° | 134.0° |
| S1 | PA | O2A | 105.7° | 109.5° |
| PA | O2A | H12 | 109.5° | 114.0° |
| O1G | PG | O3B | 105.5° | 109.5° |
| O1G | PG | O3G | 109.7° | 109.5° |
| O1G | PG | O2G | 110.7° | 109.5° |
| O3B | PG | O3G | 116.3° | 109.5° |
| O3B | PG | O2G | 103.2° | 109.5° |
| O3G | PG | O2G | 111.0° | 109.5° |
| PG | O3G | H15 | 109.5° | 114.0° |
| PG | O2G | H14 | 109.5° | 114.0° |
| H2'1 | C2' | H2'2 | 109.5° | 110.6° |
| HN41 | N2 | HN42 | 120.0° | 120.0° |
| H5'1 | C5' | H5'2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | N4 | N1 | 179.9° | 179.5° |
| O2 | C2 | N4 | C4 | 179.6° | 180.0° |
| O2 | C2 | N1 | C1' | 1.8° | 0.2° |
| O2 | C2 | N1 | C5 | 178.8° | 180.0° |
| N4 | C2 | N1 | C1' | 178.1° | 179.7° |
| N4 | C2 | N1 | C5 | 1.1° | 0.5° |
| C2 | N4 | C4 | N2 | 179.4° | 179.7° |
| C2 | N4 | C4 | C1 | 0.7° | 0.3° |
| C2 | N1 | C1' | C2' | 90.8° | 65.2° |
| N1 | C2 | N4 | C4 | 0.3° | 0.5° |
| C2 | N1 | C1' | C5 | 176.9° | 179.8° |
| C2 | N1 | C1' | O4' | 150.5° | 50.1° |
| C2 | N1 | C5 | C1 | 2.4° | 0.2° |
| C2 | N1 | C1' | H1' | 27.6° | 172.5° |
| C2 | N1 | C5 | H6 | 177.6° | 179.8° |
| C1' | C2' | C3' | H2'1 | 119.0° | 118.6° |
| C1' | C2' | C3' | H2'2 | 119.0° | 118.6° |
| C2' | C1' | N1 | O4' | 118.7° | 115.4° |
| C2' | C1' | N1 | H1' | 118.4° | 122.3° |
| C2' | C1' | O4' | H1' | 117.2° | 118.9° |
| C1' | C2' | C3' | O3' | 139.7° | 118.6° |
| C2' | C1' | N1 | C5 | 86.1° | 115.0° |
| C1' | C2' | C3' | C4' | 20.4° | 0.0° |
| C2' | C1' | O4' | C4' | 22.3° | 40.5° |
| C1' | C2' | H2'1 | H2'2 | 122.8° | 122.7° |
| C1' | C2' | C3' | H3' | 95.9° | 118.7° |
| C3' | C2' | C1' | N1 | 96.6° | 142.8° |
| C3' | C2' | C1' | O4' | 26.3° | 24.0° |
| C2' | C3' | O3' | C4' | 117.2° | 114.6° |
| C2' | C3' | O3' | H3' | 123.6° | 122.7° |
| C2' | C3' | C4' | H3' | 116.1° | 118.7° |
| C2' | C3' | C4' | O4' | 8.1° | 24.0° |
| C2' | C3' | C4' | C5' | 114.2° | 142.8° |
| C3' | C2' | H2'1 | H2'2 | 122.8° | 122.7° |
| C2' | C3' | C4' | H4' | 123.0° | 94.8° |
| C3' | C2' | C1' | H1' | 144.5° | 95.0° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.4° |
| N4 | C4 | N2 | C1 | 178.8° | 180.0° |
| N4 | C4 | C1 | C5 | 1.9° | 0.0° |
| N4 | C4 | C1 | H5 | 178.1° | 180.0° |
| N4 | C4 | N2 | HN41 | 0.0° | 180.0° |
| N4 | C4 | N2 | HN42 | 180.0° | 0.0° |
| N1 | C1' | O4' | H1' | 122.5° | 122.3° |
| N1 | C1' | O4' | C4' | 97.9° | 159.4° |
| C1' | N1 | C5 | C1 | 179.2° | 180.0° |
| N1 | C1' | C2' | H2'1 | 144.3° | 24.2° |
| N1 | C1' | C2' | H2'2 | 22.4° | 98.6° |
| C1' | N1 | C5 | H6 | 0.8° | 0.0° |
| O4' | C1' | N1 | C5 | 32.6° | 129.6° |
| C1' | O4' | C4' | C3' | 8.9° | 40.6° |
| C1' | O4' | C4' | C5' | 96.7° | 159.3° |
| O4' | C1' | C2' | H2'1 | 92.8° | 94.6° |
| O4' | C1' | C2' | H2'2 | 145.3° | 142.6° |
| C1' | O4' | C4' | H4' | 139.2° | 78.3° |
| O3' | C3' | C4' | H3' | 120.0° | 122.7° |
| O3' | C3' | C4' | O4' | 131.9° | 142.7° |
| O3' | C3' | C4' | C5' | 122.0° | 98.6° |
| O3' | C3' | C2' | H2'1 | 20.7° | 122.7° |
| O3' | C3' | C2' | H2'2 | 101.3° | 0.0° |
| O3' | C3' | C4' | H4' | 0.9° | 23.8° |
| N1 | C5 | C1 | C4 | 2.7° | 0.0° |
| N1 | C5 | C1 | H6 | 180.0° | 180.0° |
| C5 | N1 | C1' | H1' | 155.5° | 7.3° |
| N1 | C5 | C1 | H5 | 177.3° | 180.0° |
| C3' | C4' | O4' | C5' | 105.7° | 118.8° |
| C3' | C4' | O4' | H4' | 130.2° | 118.9° |
| C3' | C4' | C5' | H4' | 122.9° | 122.3° |
| C3' | C4' | C5' | O5' | 134.0° | 178.2° |
| C4' | C3' | C2' | H2'1 | 98.6° | 118.7° |
| C4' | C3' | C2' | H2'2 | 139.4° | 118.6° |
| C3' | C4' | C5' | H5'1 | 14.2° | 61.8° |
| C3' | C4' | C5' | H5'2 | 106.2° | 58.2° |
| C4' | C3' | O3' | HO3' | 62.9° | 176.1° |
| N2 | C4 | C1 | C5 | 179.4° | 180.0° |
| N2 | C4 | C1 | H5 | 0.6° | 0.0° |
| C4 | N2 | HN41 | HN42 | 180.0° | 180.0° |
| C4 | C1 | C5 | H5 | 180.0° | 180.0° |
| C4 | C1 | C5 | H6 | 177.3° | 180.0° |
| C1 | C4 | N2 | HN41 | 178.8° | 0.0° |
| C1 | C4 | N2 | HN42 | 1.2° | 180.0° |
| O4' | C4' | C5' | H4' | 125.1° | 122.3° |
| O4' | C4' | C5' | O5' | 114.1° | 66.5° |
| O4' | C4' | C3' | H3' | 108.0° | 94.7° |
| C4' | O4' | C1' | H1' | 139.6° | 78.4° |
| O4' | C4' | C5' | H5'1 | 126.2° | 53.5° |
| O4' | C4' | C5' | H5'2 | 5.7° | 173.5° |
| C4' | C5' | O5' | H5'1 | 119.8° | 120.0° |
| C4' | C5' | O5' | H5'2 | 119.8° | 119.9° |
| C4' | C5' | O5' | PA | 133.9° | 180.0° |
| C5' | C4' | C3' | H3' | 2.0° | 24.1° |
| C4' | C5' | H5'1 | H5'2 | 120.7° | 120.0° |
| O1B | PB | O3A | O2B | 111.3° | 120.0° |
| O1B | PB | O3A | O3B | 119.2° | 120.0° |
| O1B | PB | O3A | PA | 158.5° | 45.0° |
| O1B | PB | O2B | O3B | 125.6° | 120.0° |
| O1B | PB | O3B | PG | 86.8° | 40.0° |
| O1B | PB | O2B | H13 | 0.0° | 180.0° |
| C5' | O5' | PA | O3A | 48.2° | 165.0° |
| C5' | O5' | PA | S1 | 66.4° | 45.0° |
| C5' | O5' | PA | O2A | 177.1° | 75.0° |
| O5' | C5' | C4' | H4' | 11.1° | 55.8° |
| O5' | C5' | H5'1 | H5'2 | 120.7° | 120.0° |
| PB | O3A | PA | O5' | 118.6° | 180.0° |
| O3A | PB | O2B | O3B | 121.7° | 120.0° |
| PB | O3A | PA | S1 | 120.3° | 60.0° |
| PB | O3A | PA | O2A | 3.7° | 60.0° |
| O3A | PB | O3B | PG | 161.5° | 160.0° |
| O3A | PB | O2B | H13 | 112.6° | 60.0° |
| O3A | PA | O5' | S1 | 114.6° | 120.0° |
| O3A | PA | O5' | O2A | 128.9° | 120.0° |
| PA | O3A | PB | O2B | 47.2° | 75.0° |
| PA | O3A | PB | O3B | 82.3° | 165.0° |
| O3A | PA | S1 | O2A | 125.2° | 120.0° |
| O3A | PA | O2A | H12 | 115.4° | 60.0° |
| O5' | PA | S1 | O2A | 117.4° | 120.0° |
| PA | O5' | C5' | H5'1 | 14.1° | 60.0° |
| PA | O5' | C5' | H5'2 | 106.3° | 60.0° |
| O5' | PA | O2A | H12 | 121.8° | 60.0° |
| O2B | PB | O3B | PG | 32.4° | 80.0° |
| PB | O3B | PG | O1G | 74.2° | 45.0° |
| PB | O3B | PG | O3G | 47.7° | 165.0° |
| PB | O3B | PG | O2G | 169.5° | 75.0° |
| O3B | PB | O2B | H13 | 125.7° | 60.0° |
| S1 | PA | O2A | H12 | 0.0° | 180.0° |
| O1G | PG | O3B | O3G | 121.9° | 120.0° |
| O1G | PG | O3B | O2G | 116.3° | 120.0° |
| O1G | PG | O3G | O2G | 122.7° | 120.0° |
| O1G | PG | O2G | H14 | 0.0° | 179.9° |
| O1G | PG | O3G | H15 | 0.0° | 60.0° |
| O3B | PG | O3G | O2G | 117.6° | 120.0° |
| O3B | PG | O2G | H14 | 112.5° | 60.1° |
| O3B | PG | O3G | H15 | 119.7° | 180.0° |
| O3G | PG | O2G | H14 | 122.1° | 59.9° |
| O2G | PG | O3G | H15 | 122.8° | 60.0° |
| H2'1 | C2' | C3' | H3' | 145.1° | 0.0° |
| H2'1 | C2' | C1' | H1' | 25.5° | 146.4° |
| H2'2 | C2' | C3' | H3' | 23.1° | 122.7° |
| H2'2 | C2' | C1' | H1' | 96.4° | 23.7° |
| H3' | C3' | C4' | H4' | 120.9° | 146.5° |
| H3' | C3' | O3' | HO3' | 56.4° | 61.3° |
| H4' | C4' | C5' | H5'1 | 108.7° | 175.9° |
| H4' | C4' | C5' | H5'2 | 130.8° | 64.1° |
| H6 | C5 | C1 | H5 | 2.7° | 0.0° |
