2KH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2' | C2' | sing | 1.43Å | 1.40Å | |
| O3' | C3' | sing | 1.43Å | 1.42Å | |
| C2' | C3' | sing | 1.55Å | 1.45Å | |
| C2' | C1' | sing | 1.55Å | 1.47Å | |
| O2 | C2 | doub | 1.22Å | 1.29Å | |
| C3' | C4' | sing | 1.54Å | 1.44Å | |
| C1' | N1 | sing | 1.46Å | 1.43Å | |
| C1' | O4' | sing | 1.44Å | 1.41Å | |
| C2 | N1 | sing | 1.34Å | 1.37Å | |
| C2 | N3 | sing | 1.35Å | 1.34Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C5' | sing | 1.53Å | 1.47Å | |
| N1 | C6 | sing | 1.37Å | 1.37Å | |
| N3 | C4 | sing | 1.35Å | 1.34Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| C6 | C5 | doub | 1.35Å | 1.39Å | |
| C4 | C5 | sing | 1.42Å | 1.43Å | |
| C4 | O4 | doub | 1.22Å | 1.38Å | |
| O2B | PB | doub | 1.48Å | 1.49Å | |
| O5' | PA | sing | 1.61Å | 1.59Å | |
| N3A | PB | sing | 1.68Å | 1.65Å | |
| N3A | PA | sing | 1.68Å | 1.66Å | |
| PB | O1B | sing | 1.61Å | 1.58Å | |
| PB | O3B | sing | 1.61Å | 1.61Å | |
| PA | O1A | doub | 1.48Å | 1.59Å | |
| PA | O2A | sing | 1.61Å | 1.50Å | |
| O3B | PG | sing | 1.61Å | 1.57Å | |
| PG | O2G | doub | 1.48Å | 1.49Å | |
| PG | O1G | sing | 1.61Å | 1.43Å | |
| PG | O3G | sing | 1.61Å | 1.50Å | |
| O2A | H1 | sing | 0.97Å | 0.95Å | |
| N3A | H2 | sing | 1.01Å | 1.00Å | |
| O1B | H3 | sing | 0.97Å | 0.95Å | |
| O1G | H4 | sing | 0.97Å | 0.95Å | |
| O3G | H5 | sing | 0.97Å | 0.95Å | |
| C5' | H6 | sing | 1.09Å | 1.10Å | |
| C5' | H7 | sing | 1.09Å | 1.10Å | |
| C4' | H8 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C6 | H14 | sing | 1.08Å | 1.08Å | |
| N3 | H15 | sing | 0.97Å | 1.00Å | |
| C5 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2' | C2' | C3' | 109.4° | 110.9° |
| O2' | C2' | C1' | 112.2° | 110.9° |
| O2' | C2' | H10 | 111.2° | 110.8° |
| C2' | O2' | H11 | 109.5° | 114.0° |
| O3' | C3' | C2' | 113.9° | 110.5° |
| O3' | C3' | C4' | 111.6° | 110.5° |
| O3' | C3' | H12 | 110.2° | 110.5° |
| C3' | O3' | H13 | 109.5° | 114.0° |
| C3' | C2' | C1' | 103.1° | 102.1° |
| C2' | C3' | C4' | 101.3° | 104.2° |
| C3' | C2' | H10 | 110.4° | 110.9° |
| C2' | C3' | H12 | 109.7° | 110.4° |
| C2' | C1' | N1 | 111.5° | 110.6° |
| C2' | C1' | O4' | 105.2° | 103.5° |
| C2' | C1' | H9 | 109.0° | 110.7° |
| C1' | C2' | H10 | 110.2° | 110.9° |
| O2 | C2 | N1 | 119.5° | 119.5° |
| O2 | C2 | N3 | 119.4° | 119.5° |
| C3' | C4' | O4' | 104.5° | 107.3° |
| C3' | C4' | C5' | 110.2° | 109.9° |
| C3' | C4' | H8 | 110.2° | 110.1° |
| C4' | C3' | H12 | 109.8° | 110.5° |
| N1 | C1' | O4' | 111.6° | 110.6° |
| C1' | N1 | C2 | 119.5° | 119.7° |
| C1' | N1 | C6 | 120.9° | 119.7° |
| N1 | C1' | H9 | 109.6° | 110.5° |
| C1' | O4' | C4' | 107.7° | 106.9° |
| O4' | C1' | H9 | 109.9° | 110.6° |
| N1 | C2 | N3 | 121.1° | 121.0° |
| C2 | N1 | C6 | 119.6° | 120.6° |
| C2 | N3 | C4 | 121.5° | 120.2° |
| C2 | N3 | H15 | 119.2° | 119.9° |
| O4' | C4' | C5' | 111.6° | 109.8° |
| O4' | C4' | H8 | 110.4° | 109.9° |
| C4' | C5' | O5' | 116.4° | 109.5° |
| C4' | C5' | H6 | 107.7° | 109.5° |
| C4' | C5' | H7 | 107.7° | 109.5° |
| C5' | C4' | H8 | 109.9° | 109.9° |
| N1 | C6 | C5 | 120.5° | 119.7° |
| N1 | C6 | H14 | 119.8° | 120.2° |
| N3 | C4 | C5 | 119.6° | 119.4° |
| N3 | C4 | O4 | 121.2° | 120.3° |
| C4 | N3 | H15 | 119.3° | 119.9° |
| C5' | O5' | PA | 121.2° | 123.0° |
| O5' | C5' | H6 | 107.7° | 109.5° |
| O5' | C5' | H7 | 107.7° | 109.4° |
| C6 | C5 | C4 | 117.7° | 119.1° |
| C5 | C6 | H14 | 119.7° | 120.1° |
| C6 | C5 | H16 | 121.1° | 120.4° |
| C5 | C4 | O4 | 119.2° | 120.3° |
| C4 | C5 | H16 | 121.1° | 120.5° |
| O2B | PB | N3A | 104.2° | 109.4° |
| O2B | PB | O1B | 108.5° | 109.4° |
| O2B | PB | O3B | 104.6° | 109.5° |
| O5' | PA | N3A | 111.2° | 109.5° |
| O5' | PA | O1A | 106.9° | 109.5° |
| O5' | PA | O2A | 108.9° | 109.5° |
| PB | N3A | PA | 115.5° | 111.0° |
| N3A | PB | O1B | 111.3° | 109.5° |
| N3A | PB | O3B | 116.0° | 109.5° |
| PB | N3A | H2 | 108.0° | 111.0° |
| N3A | PA | O1A | 109.4° | 109.5° |
| N3A | PA | O2A | 111.1° | 109.5° |
| PA | N3A | H2 | 107.9° | 111.0° |
| O1B | PB | O3B | 111.5° | 109.5° |
| PB | O1B | H3 | 109.5° | 114.0° |
| PB | O3B | PG | 126.0° | 134.0° |
| O1A | PA | O2A | 109.1° | 109.5° |
| PA | O2A | H1 | 109.5° | 114.0° |
| O3B | PG | O2G | 113.0° | 109.5° |
| O3B | PG | O1G | 107.4° | 109.5° |
| O3B | PG | O3G | 110.8° | 109.5° |
| O2G | PG | O1G | 109.1° | 109.5° |
| O2G | PG | O3G | 107.7° | 109.5° |
| O1G | PG | O3G | 108.7° | 109.5° |
| PG | O1G | H4 | 109.5° | 114.0° |
| PG | O3G | H5 | 109.5° | 114.0° |
| H6 | C5' | H7 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2' | C2' | C3' | O3' | 41.8° | 20.3° |
| O2' | C2' | C3' | C1' | 119.6° | 118.2° |
| O2' | C2' | C3' | H10 | 122.7° | 123.6° |
| O2' | C2' | C1' | H10 | 124.5° | 123.6° |
| O2' | C2' | C3' | C4' | 78.2° | 139.0° |
| O2' | C2' | C1' | N1 | 149.8° | 86.3° |
| O2' | C2' | C1' | O4' | 89.1° | 155.2° |
| O2' | C2' | C1' | H9 | 28.7° | 36.6° |
| O2' | C2' | C3' | H12 | 165.8° | 102.3° |
| O3' | C3' | C2' | C4' | 120.0° | 118.7° |
| O3' | C3' | C2' | H12 | 124.0° | 122.6° |
| O3' | C3' | C2' | C1' | 161.4° | 97.8° |
| O3' | C3' | C4' | H12 | 122.5° | 122.7° |
| O3' | C3' | C4' | O4' | 160.7° | 120.7° |
| O3' | C3' | C4' | C5' | 79.3° | 119.9° |
| O3' | C3' | C4' | H8 | 42.1° | 1.2° |
| O3' | C3' | C2' | H10 | 80.9° | 144.0° |
| C3' | C2' | C1' | H10 | 117.9° | 118.2° |
| C2' | C3' | C4' | H12 | 115.9° | 118.6° |
| C3' | C2' | C1' | N1 | 92.6° | 155.5° |
| C3' | C2' | C1' | O4' | 28.6° | 37.0° |
| C2' | C3' | C4' | O4' | 39.2° | 2.0° |
| C2' | C3' | C4' | C5' | 159.1° | 121.4° |
| C2' | C3' | C4' | H8 | 79.4° | 117.5° |
| C3' | C2' | C1' | H9 | 146.4° | 81.6° |
| C3' | C2' | O2' | H11 | 180.0° | 61.5° |
| C2' | C3' | O3' | H13 | 180.0° | 61.4° |
| C1' | C2' | C3' | C4' | 41.4° | 20.9° |
| C2' | C1' | N1 | O4' | 117.3° | 114.1° |
| C2' | C1' | N1 | H9 | 120.8° | 123.0° |
| C2' | C1' | O4' | H9 | 117.2° | 118.7° |
| C2' | C1' | N1 | C2 | 82.5° | 60.8° |
| C2' | C1' | O4' | C4' | 4.2° | 40.1° |
| C2' | C1' | N1 | C6 | 96.6° | 119.5° |
| C1' | C2' | O2' | H11 | 66.2° | 174.2° |
| C1' | C2' | C3' | H12 | 74.6° | 139.6° |
| O2 | C2 | N1 | C1' | 0.8° | 0.0° |
| O2 | C2 | N1 | N3 | 179.9° | 180.0° |
| O2 | C2 | N1 | C6 | 179.8° | 179.7° |
| O2 | C2 | N3 | C4 | 179.7° | 180.0° |
| O2 | C2 | N3 | H15 | 0.3° | 0.0° |
| C3' | C4' | O4' | C1' | 22.0° | 26.5° |
| C3' | C4' | O4' | C5' | 119.0° | 119.4° |
| C3' | C4' | O4' | H8 | 118.5° | 119.6° |
| C3' | C4' | C5' | H8 | 121.7° | 121.2° |
| C3' | C4' | C5' | O5' | 56.9° | 175.7° |
| C3' | C4' | C5' | H6 | 178.0° | 64.3° |
| C3' | C4' | C5' | H7 | 64.1° | 55.8° |
| C4' | C3' | C2' | H10 | 159.2° | 97.3° |
| C4' | C3' | O3' | H13 | 66.1° | 176.2° |
| N1 | C1' | O4' | H9 | 121.7° | 122.8° |
| C1' | N1 | C2 | C6 | 179.1° | 179.8° |
| C1' | N1 | C2 | N3 | 179.4° | 180.0° |
| N1 | C1' | O4' | C4' | 116.8° | 158.6° |
| C1' | N1 | C6 | C5 | 179.2° | 180.0° |
| N1 | C1' | C2' | H10 | 25.3° | 37.3° |
| C1' | N1 | C6 | H14 | 0.8° | 0.0° |
| O4' | C1' | N1 | C2 | 160.2° | 53.3° |
| C1' | O4' | C4' | C5' | 141.0° | 145.9° |
| O4' | C1' | N1 | C6 | 20.8° | 126.4° |
| C1' | O4' | C4' | H8 | 96.5° | 93.1° |
| O4' | C1' | C2' | H10 | 146.4° | 81.2° |
| N1 | C2 | N3 | C4 | 0.4° | 0.0° |
| C2 | N1 | C6 | C5 | 0.2° | 0.3° |
| C2 | N1 | C1' | H9 | 38.3° | 176.2° |
| C2 | N1 | C6 | H14 | 179.8° | 179.8° |
| N1 | C2 | N3 | H15 | 179.6° | 180.0° |
| N3 | C2 | N1 | C6 | 0.3° | 0.2° |
| C2 | N3 | C4 | H15 | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.3° | 0.2° |
| C2 | N3 | C4 | O4 | 179.3° | 180.0° |
| O4' | C4' | C5' | H8 | 122.8° | 121.0° |
| O4' | C4' | C5' | O5' | 58.6° | 66.5° |
| O4' | C4' | C5' | H6 | 62.4° | 53.6° |
| O4' | C4' | C5' | H7 | 179.7° | 173.6° |
| C4' | O4' | C1' | H9 | 121.4° | 78.6° |
| O4' | C4' | C3' | H12 | 76.8° | 116.6° |
| C4' | C5' | O5' | H6 | 121.0° | 120.0° |
| C4' | C5' | O5' | H7 | 121.0° | 120.0° |
| C4' | C5' | O5' | PA | 168.4° | 180.0° |
| C4' | C5' | H6 | H7 | 116.8° | 120.0° |
| C5' | C4' | C3' | H12 | 43.2° | 2.8° |
| N1 | C6 | C5 | H14 | 180.0° | 180.0° |
| N1 | C6 | C5 | C4 | 0.1° | 0.0° |
| C6 | N1 | C1' | H9 | 142.7° | 3.5° |
| N1 | C6 | C5 | H16 | 179.9° | 180.0° |
| N3 | C4 | C5 | C6 | 0.2° | 0.2° |
| N3 | C4 | C5 | O4 | 179.7° | 179.8° |
| N3 | C4 | C5 | H16 | 179.8° | 179.7° |
| C5' | O5' | PA | N3A | 48.3° | 70.0° |
| C5' | O5' | PA | O1A | 167.7° | 50.0° |
| C5' | O5' | PA | O2A | 74.4° | 170.0° |
| O5' | C5' | H6 | H7 | 116.8° | 119.9° |
| O5' | C5' | C4' | H8 | 178.6° | 54.5° |
| C6 | C5 | C4 | H16 | 180.0° | 179.9° |
| C6 | C5 | C4 | O4 | 179.5° | 180.0° |
| C4 | C5 | C6 | H14 | 179.9° | 180.0° |
| C5 | C4 | N3 | H15 | 179.7° | 179.8° |
| O4 | C4 | N3 | H15 | 0.7° | 0.0° |
| O4 | C4 | C5 | H16 | 0.5° | 0.1° |
| O2B | PB | N3A | O1B | 116.8° | 119.9° |
| O2B | PB | N3A | O3B | 114.4° | 120.0° |
| O2B | PB | N3A | PA | 158.8° | 60.0° |
| O2B | PB | O1B | O3B | 114.7° | 120.0° |
| O2B | PB | O3B | PG | 143.2° | 60.0° |
| O2B | PB | N3A | H2 | 80.3° | 176.1° |
| O2B | PB | O1B | H3 | 0.0° | 179.9° |
| O5' | PA | N3A | PB | 125.3° | 180.0° |
| O5' | PA | N3A | O1A | 117.9° | 120.0° |
| O5' | PA | N3A | O2A | 121.5° | 120.0° |
| O5' | PA | O1A | O2A | 117.7° | 120.0° |
| O5' | PA | O2A | H1 | 116.4° | 60.0° |
| O5' | PA | N3A | H2 | 113.8° | 56.0° |
| PA | O5' | C5' | H6 | 70.6° | 60.0° |
| PA | O5' | C5' | H7 | 47.3° | 60.0° |
| PB | N3A | PA | H2 | 120.9° | 123.9° |
| N3A | PB | O1B | O3B | 131.2° | 120.0° |
| PB | N3A | PA | O1A | 116.7° | 60.0° |
| PB | N3A | PA | O2A | 3.9° | 60.0° |
| N3A | PB | O3B | PG | 102.7° | 180.0° |
| N3A | PB | O1B | H3 | 114.1° | 60.0° |
| PA | N3A | PB | O1B | 42.0° | 60.0° |
| PA | N3A | PB | O3B | 86.8° | 180.0° |
| N3A | PA | O1A | O2A | 121.8° | 120.0° |
| N3A | PA | O2A | H1 | 120.8° | 60.0° |
| O1B | PB | O3B | PG | 26.1° | 60.0° |
| O1B | PB | N3A | H2 | 162.9° | 64.0° |
| PB | O3B | PG | O2G | 12.6° | 40.0° |
| PB | O3B | PG | O1G | 107.8° | 160.0° |
| PB | O3B | PG | O3G | 133.5° | 80.0° |
| O3B | PB | N3A | H2 | 34.0° | 56.1° |
| O3B | PB | O1B | H3 | 114.7° | 60.0° |
| O1A | PA | O2A | H1 | 0.0° | 180.0° |
| O1A | PA | N3A | H2 | 4.2° | 63.9° |
| O2A | PA | N3A | H2 | 124.7° | 176.1° |
| O3B | PG | O2G | O1G | 119.5° | 120.0° |
| O3B | PG | O2G | O3G | 122.7° | 120.0° |
| O3B | PG | O1G | O3G | 119.9° | 120.0° |
| O3B | PG | O1G | H4 | 122.9° | 180.0° |
| O3B | PG | O3G | H5 | 124.0° | 60.0° |
| O2G | PG | O1G | O3G | 117.2° | 120.0° |
| O2G | PG | O1G | H4 | 0.0° | 60.0° |
| O2G | PG | O3G | H5 | 0.0° | 180.0° |
| O1G | PG | O3G | H5 | 118.1° | 60.0° |
| O3G | PG | O1G | H4 | 117.2° | 60.0° |
| H6 | C5' | C4' | H8 | 60.4° | 174.5° |
| H7 | C5' | C4' | H8 | 57.6° | 65.5° |
| H8 | C4' | C3' | H12 | 164.7° | 123.9° |
| H9 | C1' | C2' | H10 | 95.8° | 160.2° |
| H10 | C2' | O2' | H11 | 57.7° | 62.2° |
| H10 | C2' | C3' | H12 | 43.1° | 21.4° |
| H12 | C3' | O3' | H13 | 56.3° | 61.1° |
| H14 | C6 | C5 | H16 | 0.1° | 0.1° |
