6K6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3' | C3' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.54Å | 1.52Å | |
| C3' | C4' | sing | 1.55Å | 1.52Å | |
| O3 | PA | doub | 1.48Å | 1.64Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C5' | O5' | sing | 1.43Å | 1.44Å | |
| O2' | C2' | sing | 1.43Å | 1.43Å | |
| C2' | C1' | sing | 1.54Å | 1.55Å | |
| C4' | O4' | sing | 1.44Å | 1.41Å | |
| PA | O5' | sing | 1.61Å | 1.65Å | |
| PA | O1 | sing | 1.61Å | 1.48Å | |
| PA | O2 | sing | 1.61Å | 1.58Å | |
| O4' | C1' | sing | 1.44Å | 1.46Å | |
| C1' | N9 | sing | 1.47Å | 1.49Å | |
| N3 | C2 | doub | 1.32Å | 1.32Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.35Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.33Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.34Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.32Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.34Å | Aromatic |
| N1 | C6 | doub | 1.33Å | 1.35Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.33Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.39Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.33Å | |
| N6 | C61 | sing | 1.46Å | 1.47Å | |
| C61 | C62 | sing | 1.51Å | 1.53Å | |
| C62 | O63 | sing | 1.34Å | 1.36Å | Aromatic |
| C62 | C66 | doub | 1.34Å | 1.33Å | Aromatic |
| O63 | C64 | sing | 1.34Å | 1.37Å | Aromatic |
| C66 | C65 | sing | 1.41Å | 1.33Å | Aromatic |
| C64 | C65 | doub | 1.35Å | 1.33Å | Aromatic |
| C66 | H1 | sing | 1.08Å | 1.08Å | |
| C65 | H2 | sing | 1.08Å | 1.08Å | |
| C64 | H3 | sing | 1.08Å | 1.08Å | |
| C61 | H4 | sing | 1.09Å | 1.10Å | |
| C61 | H5 | sing | 1.09Å | 1.10Å | |
| N6 | H6 | sing | 0.97Å | 1.00Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C1' | H9 | sing | 1.09Å | 1.10Å | |
| C2' | H10 | sing | 1.09Å | 1.10Å | |
| O2' | H11 | sing | 0.97Å | 0.95Å | |
| C3' | H12 | sing | 1.09Å | 1.10Å | |
| O3' | H13 | sing | 0.97Å | 0.95Å | |
| C4' | H14 | sing | 1.09Å | 1.10Å | |
| C5' | H15 | sing | 1.09Å | 1.10Å | |
| C5' | H16 | sing | 1.09Å | 1.10Å | |
| O2 | H17 | sing | 0.97Å | 0.95Å | |
| O1 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3' | C3' | C2' | 110.7° | 110.5° |
| O3' | C3' | C4' | 108.2° | 110.5° |
| O3' | C3' | H12 | 112.3° | 110.5° |
| C3' | O3' | H13 | 109.5° | 114.0° |
| C2' | C3' | C4' | 103.1° | 104.0° |
| C3' | C2' | O2' | 108.8° | 110.6° |
| C3' | C2' | C1' | 104.9° | 104.1° |
| C3' | C2' | H10 | 110.8° | 110.5° |
| C2' | C3' | H12 | 111.0° | 110.5° |
| C3' | C4' | C5' | 100.4° | 110.4° |
| C3' | C4' | O4' | 106.3° | 104.8° |
| C4' | C3' | H12 | 111.0° | 110.5° |
| C3' | C4' | H14 | 112.3° | 110.3° |
| O3 | PA | O5' | 116.9° | 109.4° |
| O3 | PA | O1 | 79.6° | 109.5° |
| O3 | PA | O2 | 121.4° | 109.5° |
| C4' | C5' | O5' | 115.6° | 109.5° |
| C5' | C4' | O4' | 110.0° | 110.4° |
| C5' | C4' | H14 | 112.6° | 110.5° |
| C4' | C5' | H15 | 107.9° | 109.4° |
| C4' | C5' | H16 | 107.9° | 109.5° |
| C5' | O5' | PA | 108.2° | 123.0° |
| O5' | C5' | H15 | 107.9° | 109.5° |
| O5' | C5' | H16 | 107.9° | 109.5° |
| O2' | C2' | C1' | 109.7° | 110.5° |
| O2' | C2' | H10 | 112.1° | 110.4° |
| C2' | O2' | H11 | 109.5° | 114.0° |
| C2' | C1' | O4' | 106.3° | 104.9° |
| C2' | C1' | N9 | 115.2° | 110.4° |
| C2' | C1' | H9 | 108.4° | 110.3° |
| C1' | C2' | H10 | 110.3° | 110.5° |
| C4' | O4' | C1' | 108.0° | 105.3° |
| O4' | C4' | H14 | 114.2° | 110.4° |
| O5' | PA | O1 | 84.9° | 109.4° |
| O5' | PA | O2 | 116.0° | 109.5° |
| O1 | PA | O2 | 81.6° | 109.5° |
| PA | O1 | H18 | 109.5° | 114.1° |
| PA | O2 | H17 | 109.5° | 114.0° |
| O4' | C1' | N9 | 108.0° | 110.4° |
| O4' | C1' | H9 | 109.7° | 110.4° |
| C1' | N9 | C4 | 125.2° | 126.3° |
| C1' | N9 | C8 | 127.4° | 126.3° |
| N9 | C1' | H9 | 109.1° | 110.3° |
| C2 | N3 | C4 | 120.4° | 120.6° |
| N3 | C2 | N1 | 121.0° | 122.5° |
| N3 | C2 | H7 | 119.5° | 118.8° |
| N3 | C4 | N9 | 132.5° | 134.9° |
| N3 | C4 | C5 | 120.2° | 119.1° |
| C4 | N9 | C8 | 107.4° | 107.4° |
| N9 | C4 | C5 | 107.3° | 106.0° |
| N9 | C8 | N7 | 109.8° | 110.0° |
| N9 | C8 | H8 | 125.1° | 125.0° |
| C2 | N1 | C6 | 121.9° | 121.2° |
| N1 | C2 | H7 | 119.5° | 118.7° |
| C4 | C5 | N7 | 107.8° | 107.1° |
| C4 | C5 | C6 | 118.0° | 118.1° |
| C8 | N7 | C5 | 107.7° | 109.4° |
| N7 | C8 | H8 | 125.1° | 125.0° |
| N1 | C6 | C5 | 118.5° | 118.5° |
| N1 | C6 | N6 | 121.4° | 120.8° |
| N7 | C5 | C6 | 134.2° | 134.7° |
| C5 | C6 | N6 | 120.1° | 120.8° |
| C6 | N6 | C61 | 122.0° | 120.0° |
| C6 | N6 | H6 | 106.2° | 120.0° |
| N6 | C61 | C62 | 106.4° | 109.4° |
| N6 | C61 | H4 | 110.2° | 109.5° |
| N6 | C61 | H5 | 110.2° | 109.5° |
| C61 | N6 | H6 | 106.2° | 120.0° |
| C61 | C62 | O63 | 122.2° | 125.8° |
| C61 | C62 | C66 | 129.0° | 125.8° |
| C62 | C61 | H4 | 110.3° | 109.5° |
| C62 | C61 | H5 | 110.2° | 109.5° |
| O63 | C62 | C66 | 108.8° | 108.5° |
| C62 | O63 | C64 | 106.1° | 109.5° |
| C62 | C66 | C65 | 108.1° | 106.8° |
| C62 | C66 | H1 | 126.0° | 126.6° |
| O63 | C64 | C65 | 107.7° | 108.4° |
| O63 | C64 | H3 | 126.1° | 125.8° |
| C66 | C65 | C64 | 109.2° | 106.9° |
| C65 | C66 | H1 | 125.9° | 126.6° |
| C66 | C65 | H2 | 125.4° | 126.6° |
| C64 | C65 | H2 | 125.4° | 126.6° |
| C65 | C64 | H3 | 126.1° | 125.8° |
| H4 | C61 | H5 | 109.5° | 109.5° |
| H15 | C5' | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3' | C3' | C2' | C4' | 115.5° | 118.6° |
| O3' | C3' | C2' | H12 | 125.5° | 122.7° |
| O3' | C3' | C4' | H12 | 123.7° | 122.7° |
| O3' | C3' | C4' | C5' | 95.2° | 98.6° |
| O3' | C3' | C2' | O2' | 18.1° | 0.1° |
| O3' | C3' | C2' | C1' | 135.4° | 118.7° |
| O3' | C3' | C4' | O4' | 150.2° | 142.6° |
| O3' | C3' | C2' | H10 | 105.5° | 122.6° |
| O3' | C3' | C4' | H14 | 24.6° | 23.8° |
| C2' | C3' | C4' | H12 | 119.0° | 118.6° |
| C2' | C3' | C4' | C5' | 147.4° | 142.8° |
| C3' | C2' | O2' | C1' | 114.3° | 114.7° |
| C3' | C2' | O2' | H10 | 122.8° | 122.7° |
| C3' | C2' | C1' | H10 | 119.3° | 118.7° |
| C2' | C3' | C4' | O4' | 32.8° | 23.9° |
| C3' | C2' | C1' | O4' | 1.3° | 24.0° |
| C3' | C2' | C1' | N9 | 118.2° | 142.8° |
| C3' | C2' | C1' | H9 | 119.2° | 95.0° |
| C3' | C2' | O2' | H11 | 180.0° | 65.3° |
| C2' | C3' | O3' | H13 | 180.0° | 61.5° |
| C2' | C3' | C4' | H14 | 92.7° | 94.9° |
| C3' | C4' | C5' | O4' | 111.8° | 115.4° |
| C3' | C4' | C5' | H14 | 119.7° | 122.3° |
| C3' | C4' | C5' | O5' | 165.4° | 175.0° |
| C4' | C3' | C2' | O2' | 97.4° | 118.7° |
| C4' | C3' | C2' | C1' | 19.9° | 0.0° |
| C3' | C4' | O4' | H14 | 124.4° | 118.8° |
| C3' | C4' | O4' | C1' | 33.2° | 40.4° |
| C4' | C3' | C2' | H10 | 139.0° | 118.7° |
| C4' | C3' | O3' | H13 | 67.6° | 176.1° |
| C3' | C4' | C5' | H15 | 73.7° | 55.0° |
| C3' | C4' | C5' | H16 | 44.5° | 65.0° |
| O3 | PA | O5' | C5' | 86.8° | 55.0° |
| O3 | PA | O5' | O1 | 75.6° | 119.9° |
| O3 | PA | O5' | O2 | 153.7° | 120.1° |
| O3 | PA | O1 | O2 | 124.2° | 120.1° |
| O3 | PA | O2 | H17 | 0.0° | 60.0° |
| O3 | PA | O1 | H18 | 0.0° | 180.0° |
| C4' | C5' | O5' | H15 | 120.9° | 120.0° |
| C4' | C5' | O5' | H16 | 120.9° | 120.0° |
| C5' | C4' | O4' | H14 | 127.7° | 122.4° |
| C4' | C5' | O5' | PA | 147.5° | 180.0° |
| C5' | C4' | O4' | C1' | 141.1° | 159.3° |
| C5' | C4' | C3' | H12 | 28.5° | 24.1° |
| C4' | C5' | H15 | H16 | 117.2° | 120.0° |
| O5' | C5' | C4' | O4' | 53.6° | 69.6° |
| C5' | O5' | PA | O1 | 162.4° | 65.0° |
| C5' | O5' | PA | O2 | 119.5° | 175.0° |
| O5' | C5' | C4' | H14 | 75.0° | 52.7° |
| O5' | C5' | H15 | H16 | 117.2° | 120.0° |
| O2' | C2' | C1' | H10 | 123.9° | 122.5° |
| O2' | C2' | C1' | O4' | 115.4° | 142.7° |
| O2' | C2' | C1' | N9 | 125.0° | 98.4° |
| O2' | C2' | C1' | H9 | 2.5° | 23.8° |
| O2' | C2' | C3' | H12 | 143.6° | 122.6° |
| C2' | C1' | O4' | C4' | 19.7° | 40.5° |
| C2' | C1' | O4' | N9 | 124.1° | 118.9° |
| C2' | C1' | O4' | H9 | 117.0° | 118.9° |
| C2' | C1' | N9 | H9 | 122.2° | 122.2° |
| C2' | C1' | N9 | C4 | 56.1° | 86.5° |
| C2' | C1' | N9 | C8 | 124.1° | 93.6° |
| C1' | C2' | O2' | H11 | 65.7° | 180.0° |
| C1' | C2' | C3' | H12 | 99.0° | 118.6° |
| C4' | O4' | C1' | N9 | 143.9° | 159.4° |
| C4' | O4' | C1' | H9 | 97.3° | 78.4° |
| O4' | C4' | C3' | H12 | 86.1° | 94.7° |
| O4' | C4' | C5' | H15 | 174.5° | 170.4° |
| O4' | C4' | C5' | H16 | 67.3° | 50.4° |
| O5' | PA | O1 | O2 | 117.2° | 120.0° |
| PA | O5' | C5' | H15 | 91.6° | 60.0° |
| PA | O5' | C5' | H16 | 26.6° | 60.0° |
| O5' | PA | O2 | H17 | 152.5° | 180.0° |
| O5' | PA | O1 | H18 | 118.6° | 60.0° |
| O1 | PA | O2 | H17 | 72.4° | 60.0° |
| O2 | PA | O1 | H18 | 124.2° | 60.0° |
| O4' | C1' | N9 | H9 | 119.2° | 122.3° |
| O4' | C1' | N9 | C4 | 174.8° | 158.0° |
| O4' | C1' | N9 | C8 | 5.4° | 21.9° |
| O4' | C1' | C2' | H10 | 120.7° | 94.8° |
| C1' | O4' | C4' | H14 | 91.2° | 78.3° |
| C1' | N9 | C4 | N3 | 0.3° | 0.0° |
| C1' | N9 | C4 | C8 | 179.8° | 179.9° |
| C1' | N9 | C4 | C5 | 179.6° | 179.8° |
| C1' | N9 | C8 | N7 | 179.8° | 179.8° |
| C1' | N9 | C8 | H8 | 0.2° | 0.1° |
| N9 | C1' | C2' | H10 | 1.1° | 24.1° |
| C2 | N3 | C4 | N9 | 179.7° | 180.0° |
| N3 | C2 | N1 | H7 | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.4° | 0.2° |
| N3 | C2 | N1 | C6 | 0.3° | 0.0° |
| N3 | C4 | N9 | C5 | 179.3° | 179.8° |
| N3 | C4 | N9 | C8 | 179.9° | 179.9° |
| C4 | N3 | C2 | N1 | 0.0° | 0.0° |
| N3 | C4 | C5 | N7 | 180.0° | 180.0° |
| N3 | C4 | C5 | C6 | 0.6° | 0.5° |
| C4 | N3 | C2 | H7 | 180.0° | 180.0° |
| C4 | N9 | C8 | N7 | 0.4° | 0.3° |
| N9 | C4 | C5 | N7 | 0.6° | 0.1° |
| N9 | C4 | C5 | C6 | 179.9° | 179.7° |
| C4 | N9 | C8 | H8 | 179.6° | 179.9° |
| C4 | N9 | C1' | H9 | 66.0° | 35.7° |
| C8 | N9 | C4 | C5 | 0.6° | 0.3° |
| N9 | C8 | N7 | H8 | 180.0° | 179.8° |
| N9 | C8 | N7 | C5 | 0.1° | 0.2° |
| C8 | N9 | C1' | H9 | 113.7° | 144.2° |
| C2 | N1 | C6 | C5 | 0.1° | 0.3° |
| C2 | N1 | C6 | N6 | 179.5° | 180.0° |
| C4 | C5 | N7 | C8 | 0.3° | 0.1° |
| C4 | C5 | C6 | N1 | 0.4° | 0.5° |
| C4 | C5 | N7 | C6 | 179.2° | 179.4° |
| C4 | C5 | C6 | N6 | 179.9° | 179.8° |
| C8 | N7 | C5 | C6 | 179.5° | 179.4° |
| N1 | C6 | C5 | N7 | 179.5° | 179.9° |
| N1 | C6 | C5 | N6 | 179.6° | 179.8° |
| N1 | C6 | N6 | C61 | 6.8° | 0.0° |
| N1 | C6 | N6 | H6 | 114.9° | 180.0° |
| C6 | N1 | C2 | H7 | 179.7° | 180.0° |
| N7 | C5 | C6 | N6 | 0.9° | 0.4° |
| C5 | N7 | C8 | H8 | 179.9° | 179.9° |
| C5 | C6 | N6 | C61 | 172.7° | 179.8° |
| C5 | C6 | N6 | H6 | 65.6° | 0.3° |
| C6 | N6 | C61 | H6 | 121.7° | 179.9° |
| C6 | N6 | C61 | C62 | 97.5° | 180.0° |
| C6 | N6 | C61 | H4 | 143.0° | 60.0° |
| C6 | N6 | C61 | H5 | 22.0° | 60.0° |
| N6 | C61 | C62 | H4 | 119.5° | 120.0° |
| N6 | C61 | C62 | H5 | 119.5° | 120.0° |
| N6 | C61 | C62 | O63 | 83.2° | 90.0° |
| N6 | C61 | C62 | C66 | 95.9° | 89.5° |
| N6 | C61 | H4 | H5 | 121.4° | 120.0° |
| C61 | C62 | O63 | C66 | 179.2° | 179.6° |
| C61 | C62 | O63 | C64 | 179.3° | 180.0° |
| C61 | C62 | C66 | C65 | 179.4° | 180.0° |
| C61 | C62 | C66 | H1 | 0.6° | 0.3° |
| C62 | C61 | H4 | H5 | 121.4° | 120.0° |
| C62 | C61 | N6 | H6 | 24.2° | 0.1° |
| O63 | C62 | C66 | C65 | 0.3° | 0.4° |
| C62 | O63 | C64 | C65 | 0.2° | 0.3° |
| O63 | C62 | C66 | H1 | 179.7° | 179.9° |
| C62 | O63 | C64 | H3 | 179.8° | 179.8° |
| O63 | C62 | C61 | H4 | 157.3° | 30.0° |
| O63 | C62 | C61 | H5 | 36.3° | 150.0° |
| C66 | C62 | O63 | C64 | 0.1° | 0.4° |
| C62 | C66 | C65 | H1 | 180.0° | 179.8° |
| C62 | C66 | C65 | C64 | 0.4° | 0.2° |
| C62 | C66 | C65 | H2 | 179.6° | 179.8° |
| C66 | C62 | C61 | H4 | 23.7° | 150.5° |
| C66 | C62 | C61 | H5 | 144.6° | 30.5° |
| O63 | C64 | C65 | C66 | 0.4° | 0.0° |
| O63 | C64 | C65 | H3 | 180.0° | 179.9° |
| O63 | C64 | C65 | H2 | 179.6° | 179.9° |
| C66 | C65 | C64 | H2 | 180.0° | 180.0° |
| C66 | C65 | C64 | H3 | 179.6° | 180.0° |
| C64 | C65 | C66 | H1 | 179.6° | 180.0° |
| H1 | C66 | C65 | H2 | 0.4° | 0.1° |
| H2 | C65 | C64 | H3 | 0.4° | 0.0° |
| H4 | C61 | N6 | H6 | 95.3° | 119.9° |
| H5 | C61 | N6 | H6 | 143.7° | 120.0° |
| H9 | C1' | C2' | H10 | 121.5° | 146.3° |
| H10 | C2' | O2' | H11 | 57.2° | 57.4° |
| H10 | C2' | C3' | H12 | 20.0° | 0.1° |
| H12 | C3' | O3' | H13 | 55.3° | 61.2° |
| H12 | C3' | C4' | H14 | 148.3° | 146.5° |
| H14 | C4' | C5' | H15 | 45.9° | 67.3° |
| H14 | C4' | C5' | H16 | 164.1° | 172.7° |
