PRD_900018
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1' | C1' | sing | 1.43Å | 1.40Å | |
| C1' | O5' | sing | 1.43Å | 1.43Å | |
| C1' | C2' | sing | 1.53Å | 1.53Å | |
| O2' | C2' | sing | 1.43Å | 1.42Å | |
| O5' | C5' | sing | 1.43Å | 1.44Å | |
| C2' | C3' | sing | 1.53Å | 1.53Å | |
| C5' | C6' | sing | 1.53Å | 1.52Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C3' | C4' | sing | 1.53Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C6' | O6' | sing | 1.43Å | 1.42Å | |
| C4' | O1 | sing | 1.43Å | 1.43Å | |
| O1 | C1 | sing | 1.43Å | 1.41Å | |
| O2 | C2 | sing | 1.43Å | 1.42Å | |
| C1 | O5 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| O5 | C5 | sing | 1.43Å | 1.44Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C6 | O6 | sing | 1.43Å | 1.42Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| O1' | HO1' | sing | 0.97Å | 0.95Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C6' | H6' | sing | 1.09Å | 1.10Å | |
| C6' | H6'A | sing | 1.09Å | 1.10Å | |
| O6' | HO6' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1' | C1' | O5' | 108.5° | 109.5° |
| O1' | C1' | C2' | 109.7° | 109.5° |
| O1' | C1' | H1' | 110.2° | 109.5° |
| C1' | O1' | HO1' | 109.5° | 114.0° |
| O5' | C1' | C2' | 110.6° | 109.4° |
| C1' | O5' | C5' | 114.7° | 114.1° |
| O5' | C1' | H1' | 109.6° | 109.5° |
| C1' | C2' | O2' | 110.5° | 109.5° |
| C1' | C2' | C3' | 110.8° | 109.1° |
| C2' | C1' | H1' | 108.3° | 109.4° |
| C1' | C2' | H2' | 107.7° | 109.5° |
| O2' | C2' | C3' | 110.9° | 109.6° |
| O2' | C2' | H2' | 109.1° | 109.6° |
| C2' | O2' | HO2' | 109.5° | 114.1° |
| O5' | C5' | C6' | 106.6° | 109.5° |
| O5' | C5' | C4' | 108.1° | 109.4° |
| O5' | C5' | H5' | 110.0° | 109.5° |
| C2' | C3' | C4' | 108.4° | 109.1° |
| C2' | C3' | O3' | 109.8° | 109.5° |
| C3' | C2' | H2' | 107.7° | 109.5° |
| C2' | C3' | H3' | 109.0° | 109.5° |
| C6' | C5' | C4' | 114.3° | 109.5° |
| C5' | C6' | O6' | 111.7° | 109.5° |
| C6' | C5' | H5' | 108.9° | 109.4° |
| C5' | C6' | H6' | 108.9° | 109.5° |
| C5' | C6' | H6'A | 108.9° | 109.4° |
| C5' | C4' | C3' | 109.4° | 109.2° |
| C5' | C4' | O1 | 110.1° | 109.5° |
| C5' | C4' | H4' | 108.3° | 109.5° |
| C4' | C5' | H5' | 108.9° | 109.5° |
| C4' | C3' | O3' | 110.3° | 109.6° |
| C3' | C4' | O1 | 111.3° | 109.6° |
| C4' | C3' | H3' | 109.0° | 109.6° |
| C3' | C4' | H4' | 108.3° | 109.5° |
| O3' | C3' | H3' | 110.4° | 109.6° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| O6' | C6' | H6' | 108.9° | 109.5° |
| O6' | C6' | H6'A | 108.9° | 109.5° |
| C6' | O6' | HO6' | 109.5° | 114.0° |
| C4' | O1 | C1 | 116.0° | 114.1° |
| O1 | C4' | H4' | 109.5° | 109.5° |
| O1 | C1 | O5 | 111.2° | 109.5° |
| O1 | C1 | C2 | 109.4° | 109.5° |
| O1 | C1 | H1 | 108.4° | 109.5° |
| O2 | C2 | C1 | 109.5° | 109.5° |
| O2 | C2 | C3 | 109.5° | 109.5° |
| O2 | C2 | H2 | 109.7° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| O5 | C1 | C2 | 112.5° | 109.4° |
| C1 | O5 | C5 | 115.0° | 114.1° |
| O5 | C1 | H1 | 108.3° | 109.5° |
| C1 | C2 | C3 | 111.7° | 109.2° |
| C2 | C1 | H1 | 106.9° | 109.5° |
| C1 | C2 | H2 | 108.2° | 109.5° |
| O5 | C5 | C6 | 106.6° | 109.5° |
| O5 | C5 | C4 | 109.6° | 109.4° |
| O5 | C5 | H5 | 109.5° | 109.5° |
| C2 | C3 | C4 | 110.5° | 109.0° |
| C2 | C3 | O3 | 111.1° | 109.5° |
| C3 | C2 | H2 | 108.3° | 109.6° |
| C2 | C3 | H3 | 107.5° | 109.5° |
| C6 | C5 | C4 | 114.3° | 109.5° |
| C5 | C6 | O6 | 113.1° | 109.5° |
| C6 | C5 | H5 | 108.5° | 109.5° |
| C5 | C6 | H6A | 108.6° | 109.5° |
| C5 | C6 | H6 | 108.5° | 109.5° |
| C5 | C4 | C3 | 108.6° | 109.2° |
| C5 | C4 | O4 | 110.1° | 109.5° |
| C5 | C4 | H4 | 109.0° | 109.5° |
| C4 | C5 | H5 | 108.3° | 109.5° |
| C4 | C3 | O3 | 111.4° | 109.5° |
| C3 | C4 | O4 | 110.0° | 109.5° |
| C4 | C3 | H3 | 107.5° | 109.6° |
| C3 | C4 | H4 | 108.9° | 109.6° |
| O3 | C3 | H3 | 108.8° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| O6 | C6 | H6A | 108.5° | 109.5° |
| O6 | C6 | H6 | 108.6° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| O4 | C4 | H4 | 110.3° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| H6A | C6 | H6 | 109.5° | 109.4° |
| H6' | C6' | H6'A | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1' | C1' | O5' | C2' | 120.3° | 120.0° |
| O1' | C1' | O5' | H1' | 120.4° | 120.1° |
| O1' | C1' | C2' | H1' | 120.2° | 120.0° |
| O1' | C1' | C2' | O2' | 64.4° | 62.5° |
| O1' | C1' | O5' | C5' | 177.4° | 178.9° |
| O1' | C1' | C2' | C3' | 172.3° | 177.6° |
| O1' | C1' | C2' | H2' | 54.7° | 57.8° |
| O5' | C1' | C2' | H1' | 120.1° | 120.0° |
| O5' | C1' | C2' | O2' | 176.0° | 177.5° |
| O5' | C1' | C2' | C3' | 52.6° | 57.6° |
| C1' | O5' | C5' | C6' | 175.6° | 178.8° |
| C1' | O5' | C5' | C4' | 61.2° | 61.2° |
| O5' | C1' | O1' | HO1' | 180.0° | 60.0° |
| O5' | C1' | C2' | H2' | 65.0° | 62.2° |
| C1' | O5' | C5' | H5' | 57.6° | 58.8° |
| C1' | C2' | O2' | C3' | 123.3° | 119.6° |
| C1' | C2' | O2' | H2' | 118.2° | 120.2° |
| C2' | C1' | O5' | C5' | 57.0° | 61.2° |
| C1' | C2' | C3' | H2' | 117.6° | 119.8° |
| C1' | C2' | C3' | C4' | 54.7° | 57.0° |
| C1' | C2' | C3' | O3' | 175.3° | 176.8° |
| C2' | C1' | O1' | HO1' | 59.1° | 179.9° |
| C1' | C2' | O2' | HO2' | 180.0° | 60.1° |
| C1' | C2' | C3' | H3' | 63.7° | 63.0° |
| O2' | C2' | C3' | H2' | 119.3° | 120.3° |
| O2' | C2' | C3' | C4' | 177.8° | 176.9° |
| O2' | C2' | C3' | O3' | 61.6° | 63.3° |
| O2' | C2' | C1' | H1' | 55.9° | 57.5° |
| O2' | C2' | C3' | H3' | 59.4° | 56.9° |
| O5' | C5' | C6' | C4' | 119.3° | 120.0° |
| O5' | C5' | C6' | H5' | 118.7° | 120.0° |
| O5' | C5' | C4' | H5' | 119.5° | 120.0° |
| O5' | C5' | C4' | C3' | 61.3° | 57.6° |
| O5' | C5' | C6' | O6' | 65.9° | 64.1° |
| O5' | C5' | C4' | O1 | 176.2° | 177.6° |
| C5' | O5' | C1' | H1' | 62.3° | 58.8° |
| O5' | C5' | C4' | H4' | 56.5° | 62.3° |
| O5' | C5' | C6' | H6' | 54.4° | 175.8° |
| O5' | C5' | C6' | H6'A | 173.8° | 55.9° |
| C2' | C3' | C4' | C5' | 59.4° | 57.0° |
| C2' | C3' | C4' | O3' | 120.3° | 119.8° |
| C2' | C3' | C4' | H3' | 118.4° | 119.9° |
| C2' | C3' | O3' | H3' | 120.1° | 120.2° |
| C2' | C3' | C4' | O1 | 178.8° | 176.9° |
| C3' | C2' | C1' | H1' | 67.5° | 62.4° |
| C3' | C2' | O2' | HO2' | 56.7° | 179.7° |
| C2' | C3' | O3' | HO3' | 180.0° | 60.0° |
| C2' | C3' | C4' | H4' | 58.4° | 63.0° |
| C6' | C5' | C4' | H5' | 122.0° | 120.0° |
| C6' | C5' | C4' | C3' | 179.8° | 177.6° |
| C5' | C6' | O6' | H6' | 120.3° | 120.0° |
| C5' | C6' | O6' | H6'A | 120.3° | 120.0° |
| C6' | C5' | C4' | O1 | 57.7° | 62.4° |
| C6' | C5' | C4' | H4' | 62.0° | 57.7° |
| C5' | C6' | H6' | H6'A | 119.0° | 119.9° |
| C5' | C6' | O6' | HO6' | 180.0° | 180.0° |
| C5' | C4' | C3' | O1 | 121.8° | 119.9° |
| C5' | C4' | C3' | H4' | 117.8° | 120.0° |
| C5' | C4' | C3' | O3' | 179.6° | 176.8° |
| C4' | C5' | C6' | O6' | 53.4° | 175.9° |
| C5' | C4' | O1 | H4' | 118.9° | 120.1° |
| C5' | C4' | O1 | C1 | 142.3° | 155.0° |
| C5' | C4' | C3' | H3' | 59.1° | 62.9° |
| C4' | C5' | C6' | H6' | 173.8° | 55.8° |
| C4' | C5' | C6' | H6'A | 66.9° | 64.1° |
| C4' | C3' | O3' | H3' | 120.5° | 120.3° |
| C3' | C4' | O1 | H4' | 119.7° | 120.1° |
| C3' | C4' | O1 | C1 | 96.3° | 85.2° |
| C4' | C3' | C2' | H2' | 62.8° | 62.9° |
| C4' | C3' | O3' | HO3' | 60.6° | 179.6° |
| C3' | C4' | C5' | H5' | 58.2° | 62.4° |
| O3' | C3' | C4' | O1 | 58.5° | 63.2° |
| O3' | C3' | C2' | H2' | 57.7° | 57.0° |
| O3' | C3' | C4' | H4' | 61.8° | 56.9° |
| O6' | C6' | C5' | H5' | 175.4° | 55.9° |
| O6' | C6' | H6' | H6'A | 119.0° | 120.0° |
| C4' | O1 | C1 | O5 | 78.7° | 72.5° |
| C4' | O1 | C1 | C2 | 156.5° | 167.6° |
| C4' | O1 | C1 | H1 | 40.3° | 47.5° |
| O1 | C4' | C3' | H3' | 62.8° | 57.0° |
| O1 | C4' | C5' | H5' | 64.3° | 57.6° |
| O1 | C1 | C2 | O2 | 45.3° | 57.6° |
| O1 | C1 | O5 | C2 | 123.1° | 120.0° |
| O1 | C1 | O5 | H1 | 119.0° | 120.0° |
| O1 | C1 | C2 | H1 | 117.2° | 120.1° |
| O1 | C1 | O5 | C5 | 69.3° | 58.9° |
| O1 | C1 | C2 | C3 | 76.1° | 62.3° |
| O1 | C1 | C2 | H2 | 164.8° | 177.7° |
| C1 | O1 | C4' | H4' | 23.4° | 34.9° |
| O2 | C2 | C1 | O5 | 169.4° | 177.5° |
| O2 | C2 | C1 | C3 | 121.4° | 119.9° |
| O2 | C2 | C1 | H2 | 119.5° | 120.1° |
| O2 | C2 | C3 | H2 | 119.6° | 120.2° |
| O2 | C2 | C3 | C4 | 172.1° | 176.9° |
| O2 | C2 | C3 | O3 | 63.8° | 63.2° |
| O2 | C2 | C1 | H1 | 71.9° | 62.5° |
| O2 | C2 | C3 | H3 | 55.1° | 57.0° |
| O5 | C1 | C2 | H1 | 118.8° | 119.9° |
| O5 | C1 | C2 | C3 | 48.0° | 57.6° |
| C1 | O5 | C5 | C6 | 175.7° | 178.8° |
| C1 | O5 | C5 | C4 | 60.2° | 61.1° |
| O5 | C1 | C2 | H2 | 71.1° | 62.3° |
| C1 | O5 | C5 | H5 | 58.5° | 58.8° |
| C2 | C1 | O5 | C5 | 53.7° | 61.1° |
| C1 | C2 | C3 | H2 | 119.1° | 119.9° |
| C1 | C2 | C3 | C4 | 50.7° | 57.0° |
| C1 | C2 | C3 | O3 | 174.8° | 176.9° |
| C1 | C2 | O2 | HO2 | 180.0° | 59.9° |
| C1 | C2 | C3 | H3 | 66.3° | 62.9° |
| O5 | C5 | C6 | C4 | 121.2° | 120.0° |
| O5 | C5 | C6 | H5 | 117.9° | 120.0° |
| O5 | C5 | C4 | H5 | 119.4° | 120.0° |
| O5 | C5 | C4 | C3 | 60.2° | 57.6° |
| O5 | C5 | C6 | O6 | 58.1° | 65.1° |
| O5 | C5 | C4 | O4 | 179.4° | 177.5° |
| C5 | O5 | C1 | H1 | 171.7° | 178.9° |
| O5 | C5 | C4 | H4 | 58.3° | 62.4° |
| O5 | C5 | C6 | H6A | 62.5° | 174.9° |
| O5 | C5 | C6 | H6 | 178.6° | 55.0° |
| C2 | C3 | C4 | C5 | 56.7° | 57.0° |
| C2 | C3 | C4 | O3 | 124.0° | 119.8° |
| C2 | C3 | C4 | H3 | 117.0° | 119.9° |
| C2 | C3 | O3 | H3 | 118.1° | 120.2° |
| C2 | C3 | C4 | O4 | 177.2° | 176.9° |
| C3 | C2 | C1 | H1 | 166.7° | 177.6° |
| C3 | C2 | O2 | HO2 | 57.3° | 179.6° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C2 | C3 | C4 | H4 | 61.8° | 63.0° |
| C6 | C5 | C4 | H5 | 121.1° | 120.1° |
| C6 | C5 | C4 | C3 | 179.6° | 177.6° |
| C5 | C6 | O6 | H6A | 120.6° | 120.0° |
| C5 | C6 | O6 | H6 | 120.5° | 120.1° |
| C6 | C5 | C4 | O4 | 60.0° | 62.5° |
| C6 | C5 | C4 | H4 | 61.2° | 57.6° |
| C5 | C6 | H6A | H6 | 118.3° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| C5 | C4 | C3 | O4 | 120.5° | 119.9° |
| C5 | C4 | C3 | H4 | 118.5° | 120.0° |
| C5 | C4 | C3 | O3 | 179.3° | 176.8° |
| C4 | C5 | C6 | O6 | 63.1° | 175.0° |
| C5 | C4 | O4 | H4 | 120.3° | 120.1° |
| C5 | C4 | C3 | H3 | 60.3° | 62.9° |
| C5 | C4 | O4 | HO4 | 180.0° | 179.7° |
| C4 | C5 | C6 | H6A | 176.4° | 55.0° |
| C4 | C5 | C6 | H6 | 57.5° | 65.0° |
| C4 | C3 | O3 | H3 | 118.3° | 120.3° |
| C3 | C4 | O4 | H4 | 120.1° | 120.2° |
| C4 | C3 | C2 | H2 | 68.4° | 62.9° |
| C4 | C3 | O3 | HO3 | 56.4° | 179.6° |
| C3 | C4 | O4 | HO4 | 60.4° | 60.0° |
| C3 | C4 | C5 | H5 | 59.3° | 62.4° |
| O3 | C3 | C4 | O4 | 58.9° | 63.3° |
| O3 | C3 | C2 | H2 | 55.8° | 57.0° |
| O3 | C3 | C4 | H4 | 62.1° | 56.9° |
| O6 | C6 | C5 | H5 | 175.9° | 54.9° |
| O6 | C6 | H6A | H6 | 118.3° | 120.0° |
| O4 | C4 | C3 | H3 | 60.2° | 57.0° |
| O4 | C4 | C5 | H5 | 61.1° | 57.5° |
| H1 | C1 | C2 | H2 | 47.6° | 57.6° |
| H2 | C2 | O2 | HO2 | 61.4° | 60.2° |
| H2 | C2 | C3 | H3 | 174.6° | 177.2° |
| H3 | C3 | O3 | HO3 | 61.9° | 60.2° |
| H3 | C3 | C4 | H4 | 178.8° | 177.1° |
| H4 | C4 | O4 | HO4 | 59.7° | 60.2° |
| H4 | C4 | C5 | H5 | 177.8° | 177.6° |
| H5 | C5 | C6 | H6A | 55.4° | 65.1° |
| H5 | C5 | C6 | H6 | 63.5° | 175.0° |
| H6A | C6 | O6 | HO6 | 59.5° | 60.0° |
| H6 | C6 | O6 | HO6 | 59.5° | 59.9° |
| H1' | C1' | O1' | HO1' | 60.0° | 60.1° |
| H1' | C1' | C2' | H2' | 174.9° | 177.8° |
| H2' | C2' | O2' | HO2' | 61.8° | 60.1° |
| H2' | C2' | C3' | H3' | 178.7° | 177.2° |
| H3' | C3' | O3' | HO3' | 59.9° | 60.2° |
| H3' | C3' | C4' | H4' | 176.9° | 177.2° |
| H4' | C4' | C5' | H5' | 176.0° | 177.6° |
| H5' | C5' | C6' | H6' | 64.3° | 64.2° |
| H5' | C5' | C6' | H6'A | 55.1° | 175.9° |
| H6' | C6' | O6' | HO6' | 59.7° | 60.0° |
| H6'A | C6' | O6' | HO6' | 59.7° | 60.0° |
