PRD_900032
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | sing | 1.43Å | 1.41Å | |
C1 | C2 | sing | 1.53Å | 1.51Å | |
C1 | O5 | sing | 1.43Å | 1.42Å | |
O1 | C2' | sing | 1.43Å | 1.41Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
C2 | O2 | sing | 1.43Å | 1.40Å | |
C3 | C4 | sing | 1.53Å | 1.52Å | |
C3 | O3 | sing | 1.43Å | 1.41Å | |
C4 | O4 | sing | 1.43Å | 1.41Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C5 | C6 | sing | 1.53Å | 1.52Å | |
C5 | O5 | sing | 1.43Å | 1.41Å | |
C6 | O6 | sing | 1.43Å | 1.41Å | |
C1' | C2' | sing | 1.53Å | 1.51Å | |
C1' | O1' | sing | 1.43Å | 1.41Å | |
C2' | O2' | sing | 1.44Å | 1.41Å | |
C2' | C3' | sing | 1.55Å | 1.52Å | |
O2' | C5' | sing | 1.44Å | 1.43Å | |
C3' | C4' | sing | 1.55Å | 1.51Å | |
C3' | O3' | sing | 1.43Å | 1.42Å | |
C4' | C5' | sing | 1.55Å | 1.53Å | |
C4' | O4' | sing | 1.43Å | 1.42Å | |
C5' | C6' | sing | 1.53Å | 1.52Å | |
C6' | O6' | sing | 1.43Å | 1.40Å | |
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 | |
C1' | H1'A | sing | 1.09Å | 1.10Å | |
O1' | HO1' | 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' | 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 | C2 | 106.1° | 109.5° |
O1 | C1 | O5 | 110.2° | 109.5° |
C1 | O1 | C2' | 118.0° | 114.0° |
O1 | C1 | H1 | 109.9° | 109.5° |
C2 | C1 | O5 | 112.5° | 109.4° |
C1 | C2 | C3 | 109.2° | 109.2° |
C1 | C2 | O2 | 108.0° | 109.5° |
C2 | C1 | H1 | 108.4° | 109.5° |
C1 | C2 | H2 | 109.3° | 109.5° |
C1 | O5 | C5 | 116.4° | 114.1° |
O5 | C1 | H1 | 109.7° | 109.5° |
O1 | C2' | C1' | 109.7° | 110.4° |
O1 | C2' | O2' | 106.2° | 110.4° |
O1 | C2' | C3' | 116.5° | 110.3° |
C3 | C2 | O2 | 110.3° | 109.5° |
C2 | C3 | C4 | 106.3° | 109.0° |
C2 | C3 | O3 | 109.4° | 109.5° |
C3 | C2 | H2 | 109.2° | 109.5° |
C2 | C3 | H3 | 109.2° | 109.5° |
O2 | C2 | H2 | 110.8° | 109.6° |
C2 | O2 | HO2 | 109.5° | 114.0° |
C4 | C3 | O3 | 111.9° | 109.6° |
C3 | C4 | O4 | 109.1° | 109.5° |
C3 | C4 | C5 | 110.3° | 109.2° |
C4 | C3 | H3 | 109.1° | 109.6° |
C3 | C4 | H4 | 108.5° | 109.5° |
O3 | C3 | H3 | 110.8° | 109.7° |
C3 | O3 | HO3 | 109.5° | 114.0° |
O4 | C4 | C5 | 110.3° | 109.5° |
O4 | C4 | H4 | 110.1° | 109.5° |
C4 | O4 | HO4 | 109.5° | 114.0° |
C4 | C5 | C6 | 111.4° | 109.5° |
C4 | C5 | O5 | 110.8° | 109.4° |
C5 | C4 | H4 | 108.4° | 109.6° |
C4 | C5 | H5 | 108.4° | 109.5° |
C6 | C5 | O5 | 107.5° | 109.5° |
C5 | C6 | O6 | 110.4° | 109.5° |
C6 | C5 | H5 | 108.6° | 109.5° |
C5 | C6 | H6A | 109.2° | 109.4° |
C5 | C6 | H6 | 109.2° | 109.5° |
O5 | C5 | H5 | 110.1° | 109.5° |
O6 | C6 | H6A | 109.3° | 109.5° |
O6 | C6 | H6 | 109.2° | 109.5° |
C6 | O6 | HO6 | 109.5° | 114.0° |
C2' | C1' | O1' | 106.4° | 109.5° |
C1' | C2' | O2' | 109.3° | 110.3° |
C1' | C2' | C3' | 107.7° | 110.4° |
C2' | C1' | H1' | 110.2° | 109.4° |
C2' | C1' | H1'A | 110.2° | 109.5° |
O1' | C1' | H1' | 110.3° | 109.5° |
O1' | C1' | H1'A | 110.2° | 109.5° |
C1' | O1' | HO1' | 109.5° | 114.0° |
O2' | C2' | C3' | 107.2° | 104.9° |
C2' | O2' | C5' | 108.4° | 105.3° |
C2' | C3' | C4' | 105.5° | 104.1° |
C2' | C3' | O3' | 110.5° | 110.5° |
C2' | C3' | H3' | 109.5° | 110.5° |
O2' | C5' | C4' | 105.5° | 104.7° |
O2' | C5' | C6' | 112.0° | 110.4° |
O2' | C5' | H5' | 110.3° | 110.3° |
C4' | C3' | O3' | 110.5° | 110.5° |
C3' | C4' | C5' | 103.8° | 104.0° |
C3' | C4' | O4' | 111.2° | 110.5° |
C4' | C3' | H3' | 109.6° | 110.5° |
C3' | C4' | H4' | 108.1° | 110.5° |
O3' | C3' | H3' | 111.0° | 110.6° |
C3' | O3' | HO3' | 109.5° | 114.0° |
C5' | C4' | O4' | 116.0° | 110.6° |
C4' | C5' | C6' | 111.0° | 110.5° |
C5' | C4' | H4' | 107.9° | 110.5° |
C4' | C5' | H5' | 109.0° | 110.3° |
O4' | C4' | H4' | 109.3° | 110.6° |
C4' | O4' | HO4' | 109.5° | 114.0° |
C5' | C6' | O6' | 113.9° | 109.5° |
C6' | C5' | H5' | 109.0° | 110.5° |
C5' | C6' | H6' | 108.3° | 109.5° |
C5' | C6' | H6'A | 108.4° | 109.5° |
O6' | C6' | H6' | 108.4° | 109.5° |
O6' | C6' | H6'A | 108.4° | 109.4° |
C6' | O6' | HO6' | 109.5° | 114.0° |
H6A | C6 | H6 | 109.5° | 109.5° |
H1' | C1' | H1'A | 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 | C2 | O5 | 120.6° | 120.0° |
O1 | C1 | C2 | H1 | 118.0° | 120.1° |
O1 | C1 | O5 | H1 | 121.1° | 120.0° |
O1 | C1 | C2 | C3 | 64.5° | 62.3° |
O1 | C1 | C2 | O2 | 55.5° | 57.5° |
O1 | C1 | O5 | C5 | 66.1° | 58.8° |
C1 | O1 | C2' | C1' | 109.7° | 53.5° |
C1 | O1 | C2' | O2' | 132.3° | 175.8° |
C1 | O1 | C2' | C3' | 13.0° | 68.8° |
O1 | C1 | C2 | H2 | 176.1° | 177.7° |
C2 | C1 | O5 | H1 | 120.7° | 120.0° |
C2 | C1 | O1 | C2' | 162.6° | 163.0° |
C1 | C2 | C3 | O2 | 118.5° | 119.9° |
C1 | C2 | C3 | H2 | 119.4° | 119.9° |
C1 | C2 | O2 | H2 | 119.7° | 120.1° |
C1 | C2 | C3 | C4 | 60.2° | 57.0° |
C1 | C2 | C3 | O3 | 178.8° | 176.9° |
C2 | C1 | O5 | C5 | 52.1° | 61.2° |
C1 | C2 | O2 | HO2 | 180.0° | 60.1° |
C1 | C2 | C3 | H3 | 57.4° | 62.8° |
O5 | C1 | O1 | C2' | 75.4° | 77.1° |
O5 | C1 | C2 | C3 | 56.1° | 57.6° |
O5 | C1 | C2 | O2 | 176.1° | 177.5° |
C1 | O5 | C5 | C4 | 50.9° | 61.2° |
C1 | O5 | C5 | C6 | 172.8° | 178.9° |
O5 | C1 | C2 | H2 | 63.3° | 62.3° |
C1 | O5 | C5 | H5 | 69.1° | 58.8° |
O1 | C2' | C1' | O2' | 116.1° | 122.3° |
O1 | C2' | C1' | C3' | 127.7° | 122.3° |
O1 | C2' | C1' | O1' | 158.4° | 54.2° |
O1 | C2' | O2' | C3' | 125.2° | 118.8° |
O1 | C2' | O2' | C5' | 101.1° | 78.3° |
O1 | C2' | C3' | C4' | 112.5° | 94.8° |
O1 | C2' | C3' | O3' | 128.0° | 146.5° |
C2' | O1 | C1 | H1 | 45.6° | 42.9° |
O1 | C2' | C1' | H1' | 82.0° | 65.8° |
O1 | C2' | C1' | H1'A | 38.9° | 174.3° |
O1 | C2' | C3' | H3' | 5.4° | 23.8° |
C3 | C2 | O2 | H2 | 121.1° | 120.2° |
C2 | C3 | C4 | O3 | 119.4° | 119.8° |
C2 | C3 | C4 | H3 | 117.7° | 119.8° |
C2 | C3 | O3 | H3 | 120.4° | 120.2° |
C2 | C3 | C4 | O4 | 178.1° | 176.9° |
C2 | C3 | C4 | C5 | 60.5° | 57.0° |
C3 | C2 | C1 | H1 | 177.6° | 177.6° |
C3 | C2 | O2 | HO2 | 60.7° | 179.7° |
C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
C2 | C3 | C4 | H4 | 58.1° | 63.0° |
O2 | C2 | C3 | C4 | 178.7° | 176.9° |
O2 | C2 | C3 | O3 | 60.2° | 63.3° |
O2 | C2 | C1 | H1 | 62.5° | 62.5° |
O2 | C2 | C3 | H3 | 61.1° | 57.0° |
C4 | C3 | O3 | H3 | 122.0° | 120.3° |
C3 | C4 | O4 | C5 | 121.4° | 119.7° |
C3 | C4 | O4 | H4 | 119.0° | 120.1° |
C3 | C4 | C5 | H4 | 118.7° | 119.9° |
C3 | C4 | C5 | C6 | 175.0° | 177.6° |
C3 | C4 | C5 | O5 | 55.4° | 57.7° |
C4 | C3 | C2 | H2 | 59.2° | 62.9° |
C4 | C3 | O3 | HO3 | 62.4° | 179.5° |
C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
C3 | C4 | C5 | H5 | 65.6° | 62.4° |
O3 | C3 | C4 | O4 | 58.7° | 63.3° |
O3 | C3 | C4 | C5 | 179.9° | 176.8° |
O3 | C3 | C2 | H2 | 61.8° | 56.9° |
O3 | C3 | C4 | H4 | 61.2° | 56.8° |
O4 | C4 | C5 | H4 | 120.7° | 120.2° |
O4 | C4 | C5 | C6 | 64.4° | 62.5° |
O4 | C4 | C5 | O5 | 176.0° | 177.5° |
O4 | C4 | C3 | H3 | 64.2° | 57.1° |
O4 | C4 | C5 | H5 | 55.0° | 57.5° |
C4 | C5 | C6 | O5 | 121.5° | 119.9° |
C4 | C5 | C6 | H5 | 119.3° | 120.0° |
C4 | C5 | O5 | H5 | 120.0° | 120.0° |
C4 | C5 | C6 | O6 | 31.8° | 175.0° |
C5 | C4 | C3 | H3 | 57.1° | 62.8° |
C5 | C4 | O4 | HO4 | 58.6° | 179.6° |
C4 | C5 | C6 | H6A | 152.0° | 55.0° |
C4 | C5 | C6 | H6 | 88.3° | 65.0° |
C6 | C5 | O5 | H5 | 118.1° | 120.0° |
C5 | C6 | O6 | H6A | 120.2° | 120.0° |
C5 | C6 | O6 | H6 | 120.1° | 120.0° |
C6 | C5 | C4 | H4 | 56.2° | 57.7° |
C5 | C6 | H6A | H6 | 119.6° | 120.0° |
C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
O5 | C5 | C6 | O6 | 89.7° | 65.1° |
C5 | O5 | C1 | H1 | 172.8° | 178.8° |
O5 | C5 | C4 | H4 | 63.4° | 62.3° |
O5 | C5 | C6 | H6A | 30.5° | 174.9° |
O5 | C5 | C6 | H6 | 150.2° | 54.9° |
O6 | C6 | C5 | H5 | 151.2° | 55.0° |
O6 | C6 | H6A | H6 | 119.6° | 120.0° |
C2' | C1' | O1' | H1' | 119.5° | 120.0° |
C2' | C1' | O1' | H1'A | 119.5° | 120.1° |
C1' | C2' | O2' | C3' | 116.5° | 118.9° |
C1' | C2' | O2' | C5' | 140.7° | 159.4° |
C1' | C2' | C3' | C4' | 123.8° | 142.9° |
C1' | C2' | C3' | O3' | 4.3° | 24.2° |
C2' | C1' | H1' | H1'A | 121.4° | 120.0° |
C2' | C1' | O1' | HO1' | 180.0° | 179.9° |
C1' | C2' | C3' | H3' | 118.3° | 98.5° |
O1' | C1' | C2' | O2' | 42.4° | 68.1° |
O1' | C1' | C2' | C3' | 73.8° | 176.5° |
O1' | C1' | H1' | H1'A | 121.4° | 120.0° |
O2' | C2' | C3' | C4' | 6.3° | 24.0° |
O2' | C2' | C3' | O3' | 113.2° | 94.6° |
C2' | O2' | C5' | C4' | 32.1° | 40.4° |
C2' | O2' | C5' | C6' | 153.0° | 159.4° |
O2' | C2' | C1' | H1' | 161.9° | 172.0° |
O2' | C2' | C1' | H1'A | 77.1° | 52.0° |
O2' | C2' | C3' | H3' | 124.2° | 142.6° |
C2' | O2' | C5' | H5' | 85.5° | 78.3° |
C3' | C2' | O2' | C5' | 24.2° | 40.5° |
C2' | C3' | C4' | O3' | 119.4° | 118.7° |
C2' | C3' | C4' | H3' | 117.8° | 118.6° |
C2' | C3' | O3' | H3' | 121.7° | 122.7° |
C2' | C3' | C4' | C5' | 12.2° | 0.1° |
C2' | C3' | C4' | O4' | 137.7° | 118.7° |
C3' | C2' | C1' | H1' | 45.7° | 56.5° |
C3' | C2' | C1' | H1'A | 166.7° | 63.5° |
C2' | C3' | O3' | HO3' | 180.0° | 180.0° |
C2' | C3' | C4' | H4' | 102.3° | 118.6° |
O2' | C5' | C4' | C3' | 26.7° | 23.9° |
O2' | C5' | C4' | C6' | 121.6° | 118.9° |
O2' | C5' | C4' | H5' | 118.4° | 118.7° |
O2' | C5' | C4' | O4' | 149.0° | 142.5° |
O2' | C5' | C6' | H5' | 122.4° | 122.3° |
O2' | C5' | C6' | O6' | 4.3° | 66.4° |
O2' | C5' | C4' | H4' | 87.9° | 94.7° |
O2' | C5' | C6' | H6' | 116.3° | 173.6° |
O2' | C5' | C6' | H6'A | 125.0° | 53.6° |
C4' | C3' | O3' | H3' | 121.9° | 122.6° |
C3' | C4' | C5' | O4' | 122.4° | 118.7° |
C3' | C4' | C5' | H4' | 114.6° | 118.6° |
C3' | C4' | O4' | H4' | 119.3° | 122.7° |
C3' | C4' | C5' | C6' | 148.2° | 142.7° |
C4' | C3' | O3' | HO3' | 63.6° | 65.4° |
C3' | C4' | O4' | HO4' | 180.0° | 180.0° |
C3' | C4' | C5' | H5' | 91.8° | 94.8° |
O3' | C3' | C4' | C5' | 131.7° | 118.6° |
O3' | C3' | C4' | O4' | 102.9° | 122.7° |
O3' | C3' | C4' | H4' | 17.2° | 0.0° |
C5' | C4' | O4' | H4' | 122.3° | 122.7° |
C4' | C5' | C6' | H5' | 120.0° | 122.3° |
C4' | C5' | C6' | O6' | 113.3° | 178.2° |
C5' | C4' | C3' | H3' | 105.6° | 118.7° |
C5' | C4' | O4' | HO4' | 61.6° | 65.3° |
C4' | C5' | C6' | H6' | 126.0° | 58.2° |
C4' | C5' | C6' | H6'A | 7.3° | 61.8° |
O4' | C4' | C5' | C6' | 89.4° | 98.6° |
O4' | C4' | C3' | H3' | 19.8° | 0.0° |
O4' | C4' | C5' | H5' | 30.6° | 23.8° |
C5' | C6' | O6' | H6' | 120.6° | 120.1° |
C5' | C6' | O6' | H6'A | 120.6° | 120.0° |
C6' | C5' | C4' | H4' | 33.6° | 24.2° |
C5' | C6' | H6' | H6'A | 118.0° | 120.0° |
C5' | C6' | O6' | HO6' | 180.0° | 179.9° |
O6' | C6' | C5' | H5' | 126.7° | 55.9° |
O6' | C6' | H6' | H6'A | 118.0° | 119.9° |
H1 | C1 | C2 | H2 | 58.1° | 57.7° |
H2 | C2 | O2 | HO2 | 60.4° | 60.1° |
H2 | C2 | C3 | H3 | 176.8° | 177.2° |
H3 | C3 | O3 | HO3 | 59.6° | 60.2° |
H3 | C3 | C4 | H4 | 175.8° | 177.2° |
H4 | C4 | O4 | HO4 | 61.0° | 60.1° |
H4 | C4 | C5 | H5 | 175.7° | 177.7° |
H5 | C5 | C6 | H6A | 88.7° | 65.0° |
H5 | C5 | C6 | H6 | 31.0° | 175.0° |
H6A | C6 | O6 | HO6 | 59.9° | 60.1° |
H6 | C6 | O6 | HO6 | 59.8° | 60.0° |
H1' | C1' | O1' | HO1' | 60.5° | 59.9° |
H1'A | C1' | O1' | HO1' | 60.5° | 60.0° |
H3' | C3' | O3' | HO3' | 58.2° | 57.3° |
H3' | C3' | C4' | H4' | 139.9° | 122.7° |
H4' | C4' | O4' | HO4' | 60.7° | 57.3° |
H4' | C4' | C5' | H5' | 153.6° | 146.6° |
H5' | C5' | C6' | H6' | 6.0° | 64.2° |
H5' | C5' | C6' | H6'A | 112.7° | 175.9° |
H6' | C6' | O6' | HO6' | 59.4° | 59.9° |
H6'A | C6' | O6' | HO6' | 59.4° | 60.0° |