PRD_900023
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C6 | O6 | sing | 1.43Å | 1.40Å | |
C6 | C5 | sing | 1.53Å | 1.55Å | |
C5 | O5 | sing | 1.43Å | 1.44Å | |
C5 | C4 | sing | 1.53Å | 1.52Å | |
O4 | C4 | sing | 1.43Å | 1.42Å | |
O3' | C3' | sing | 1.43Å | 1.40Å | |
O5 | C1 | sing | 1.43Å | 1.41Å | |
C4 | C3 | sing | 1.53Å | 1.53Å | |
C2' | O2' | sing | 1.43Å | 1.47Å | |
C2' | C3' | sing | 1.53Å | 1.53Å | |
C2' | C1' | sing | 1.53Å | 1.47Å | |
O6' | C6' | sing | 1.43Å | 1.46Å | |
C3' | C4' | sing | 1.53Å | 1.55Å | |
C4' | C5' | sing | 1.53Å | 1.52Å | |
C4' | O4' | sing | 1.43Å | 1.41Å | |
C1 | O4' | sing | 1.43Å | 1.43Å | |
C1 | C2 | sing | 1.53Å | 1.51Å | |
O5' | C1' | sing | 1.43Å | 1.46Å | |
O5' | C5' | sing | 1.43Å | 1.44Å | |
C1' | O1' | sing | 1.43Å | 1.41Å | |
C3 | C2 | sing | 1.53Å | 1.50Å | |
C3 | O3 | sing | 1.43Å | 1.39Å | |
C6' | C5' | sing | 1.53Å | 1.53Å | |
C2 | O2 | sing | 1.43Å | 1.44Å | |
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) |
O6 | C6 | C5 | 106.7° | 109.5° |
O6 | C6 | H6A | 110.2° | 109.4° |
O6 | C6 | H6 | 110.2° | 109.5° |
C6 | O6 | HO6 | 109.5° | 114.0° |
C6 | C5 | O5 | 110.1° | 109.5° |
C6 | C5 | C4 | 112.7° | 109.5° |
C6 | C5 | H5 | 107.9° | 109.5° |
C5 | C6 | H6A | 110.2° | 109.5° |
C5 | C6 | H6 | 110.2° | 109.5° |
O5 | C5 | C4 | 108.6° | 109.4° |
C5 | O5 | C1 | 111.7° | 114.1° |
O5 | C5 | H5 | 109.3° | 109.5° |
C5 | C4 | O4 | 112.3° | 109.5° |
C5 | C4 | C3 | 109.2° | 109.2° |
C5 | C4 | H4 | 108.5° | 109.5° |
C4 | C5 | H5 | 108.2° | 109.5° |
O4 | C4 | C3 | 108.6° | 109.5° |
O4 | C4 | H4 | 109.8° | 109.5° |
C4 | O4 | HO4 | 109.5° | 114.0° |
O3' | C3' | C2' | 109.1° | 109.5° |
O3' | C3' | C4' | 110.0° | 109.5° |
O3' | C3' | H3' | 110.6° | 109.6° |
C3' | O3' | HO3' | 109.5° | 113.9° |
O5 | C1 | O4' | 105.0° | 109.5° |
O5 | C1 | C2 | 110.0° | 109.4° |
O5 | C1 | H1 | 111.9° | 109.5° |
C4 | C3 | C2 | 109.6° | 109.0° |
C4 | C3 | O3 | 109.5° | 109.5° |
C4 | C3 | H3 | 108.2° | 109.6° |
C3 | C4 | H4 | 108.4° | 109.5° |
O2' | C2' | C3' | 104.7° | 109.5° |
O2' | C2' | C1' | 113.4° | 109.5° |
O2' | C2' | H2' | 110.3° | 109.5° |
C2' | O2' | HO2' | 109.5° | 114.0° |
C3' | C2' | C1' | 108.5° | 109.2° |
C2' | C3' | C4' | 109.7° | 109.0° |
C3' | C2' | H2' | 109.5° | 109.6° |
C2' | C3' | H3' | 108.8° | 109.6° |
C2' | C1' | O5' | 110.8° | 109.4° |
C2' | C1' | O1' | 110.9° | 109.5° |
C2' | C1' | H1' | 106.9° | 109.5° |
C1' | C2' | H2' | 110.3° | 109.5° |
O6' | C6' | C5' | 112.0° | 109.5° |
O6' | C6' | H6' | 108.9° | 109.5° |
O6' | C6' | H6'A | 108.9° | 109.5° |
C6' | O6' | HO6' | 109.5° | 114.0° |
C3' | C4' | C5' | 112.3° | 109.2° |
C3' | C4' | O4' | 110.6° | 109.6° |
C4' | C3' | H3' | 108.6° | 109.5° |
C3' | C4' | H4' | 108.7° | 109.6° |
C5' | C4' | O4' | 105.6° | 109.5° |
C4' | C5' | O5' | 110.4° | 109.4° |
C4' | C5' | C6' | 113.1° | 109.5° |
C5' | C4' | H4' | 109.1° | 109.5° |
C4' | C5' | H5' | 107.9° | 109.5° |
C4' | O4' | C1 | 116.2° | 114.0° |
O4' | C4' | H4' | 110.6° | 109.6° |
O4' | C1 | C2 | 107.7° | 109.5° |
O4' | C1 | H1 | 111.6° | 109.5° |
C1 | C2 | C3 | 111.1° | 109.2° |
C1 | C2 | O2 | 110.0° | 109.5° |
C2 | C1 | H1 | 110.4° | 109.5° |
C1 | C2 | H2 | 107.8° | 109.5° |
C1' | O5' | C5' | 112.8° | 114.1° |
O5' | C1' | O1' | 113.2° | 109.5° |
O5' | C1' | H1' | 107.1° | 109.5° |
O5' | C5' | C6' | 108.7° | 109.5° |
O5' | C5' | H5' | 108.9° | 109.5° |
O1' | C1' | H1' | 107.6° | 109.5° |
C1' | O1' | HO1' | 109.5° | 114.0° |
C2 | C3 | O3 | 110.8° | 109.6° |
C3 | C2 | O2 | 111.0° | 109.5° |
C3 | C2 | H2 | 108.0° | 109.6° |
C2 | C3 | H3 | 108.6° | 109.5° |
O3 | C3 | H3 | 110.2° | 109.5° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C6' | C5' | H5' | 107.8° | 109.4° |
C5' | C6' | H6' | 108.8° | 109.4° |
C5' | C6' | H6'A | 108.8° | 109.5° |
O2 | C2 | H2 | 108.7° | 109.6° |
C2 | O2 | HO2 | 109.5° | 114.0° |
H6A | C6 | H6 | 109.4° | 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) |
O6 | C6 | C5 | H6A | 119.6° | 120.0° |
O6 | C6 | C5 | H6 | 119.6° | 120.0° |
O6 | C6 | C5 | O5 | 55.0° | 65.0° |
O6 | C6 | C5 | C4 | 66.4° | 175.1° |
O6 | C6 | C5 | H5 | 174.2° | 55.0° |
O6 | C6 | H6A | H6 | 121.3° | 119.9° |
C6 | C5 | O5 | C4 | 123.8° | 119.9° |
C6 | C5 | O5 | H5 | 118.3° | 120.0° |
C6 | C5 | C4 | H5 | 119.2° | 120.1° |
C6 | C5 | C4 | O4 | 58.3° | 62.5° |
C6 | C5 | O5 | C1 | 171.6° | 178.8° |
C6 | C5 | C4 | C3 | 178.8° | 177.6° |
C6 | C5 | C4 | H4 | 63.2° | 57.6° |
C5 | C6 | H6A | H6 | 121.2° | 120.0° |
C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
O5 | C5 | C4 | H5 | 118.5° | 120.0° |
O5 | C5 | C4 | O4 | 179.4° | 177.6° |
O5 | C5 | C4 | C3 | 58.9° | 57.6° |
C5 | O5 | C1 | O4' | 178.6° | 178.8° |
C5 | O5 | C1 | C2 | 63.0° | 61.2° |
C5 | O5 | C1 | H1 | 60.1° | 58.8° |
O5 | C5 | C4 | H4 | 59.0° | 62.3° |
O5 | C5 | C6 | H6A | 174.6° | 175.0° |
O5 | C5 | C6 | H6 | 64.6° | 55.0° |
C5 | C4 | O4 | C3 | 120.9° | 119.7° |
C5 | C4 | O4 | H4 | 120.8° | 120.2° |
C4 | C5 | O5 | C1 | 64.5° | 61.2° |
C5 | C4 | C3 | H4 | 118.0° | 119.9° |
C5 | C4 | C3 | C2 | 54.2° | 57.0° |
C5 | C4 | C3 | O3 | 175.9° | 176.9° |
C5 | C4 | C3 | H3 | 64.0° | 62.9° |
C5 | C4 | O4 | HO4 | 180.0° | 179.7° |
C4 | C5 | C6 | H6A | 53.2° | 55.1° |
C4 | C5 | C6 | H6 | 174.0° | 64.9° |
O4 | C4 | C3 | H4 | 119.2° | 120.1° |
O4 | C4 | C3 | C2 | 177.0° | 176.9° |
O4 | C4 | C3 | O3 | 61.4° | 63.1° |
O4 | C4 | C3 | H3 | 58.7° | 57.0° |
O4 | C4 | C5 | H5 | 60.9° | 57.6° |
O3' | C3' | C2' | O2' | 62.4° | 63.3° |
O3' | C3' | C2' | C4' | 120.6° | 119.8° |
O3' | C3' | C2' | H3' | 120.7° | 120.3° |
O3' | C3' | C2' | C1' | 176.3° | 176.9° |
O3' | C3' | C4' | H3' | 121.1° | 120.2° |
O3' | C3' | C4' | C5' | 171.0° | 176.8° |
O3' | C3' | C4' | O4' | 71.4° | 63.2° |
O3' | C3' | C2' | H2' | 55.9° | 56.9° |
O3' | C3' | C4' | H4' | 50.2° | 57.0° |
O5 | C1 | O4' | C4' | 67.1° | 65.0° |
O5 | C1 | O4' | C2 | 117.2° | 119.9° |
O5 | C1 | O4' | H1 | 121.5° | 120.0° |
O5 | C1 | C2 | H1 | 124.0° | 120.0° |
O5 | C1 | C2 | C3 | 57.0° | 57.6° |
O5 | C1 | C2 | O2 | 179.6° | 177.5° |
O5 | C1 | C2 | H2 | 61.2° | 62.3° |
C1 | O5 | C5 | H5 | 53.3° | 58.8° |
C4 | C3 | C2 | C1 | 53.0° | 56.9° |
C4 | C3 | C2 | O3 | 121.0° | 119.9° |
C4 | C3 | C2 | H3 | 118.0° | 119.9° |
C4 | C3 | O3 | H3 | 118.9° | 120.2° |
C4 | C3 | C2 | O2 | 175.9° | 176.8° |
C4 | C3 | C2 | H2 | 65.0° | 63.0° |
C4 | C3 | O3 | HO3 | 180.0° | 179.6° |
C3 | C4 | O4 | HO4 | 59.1° | 60.0° |
C3 | C4 | C5 | H5 | 59.6° | 62.4° |
O2' | C2' | C3' | C1' | 121.4° | 119.8° |
O2' | C2' | C3' | H2' | 118.2° | 120.2° |
O2' | C2' | C1' | H2' | 124.2° | 120.1° |
O2' | C2' | C3' | C4' | 177.0° | 176.9° |
O2' | C2' | C1' | O5' | 177.7° | 177.5° |
O2' | C2' | C1' | O1' | 51.0° | 57.6° |
O2' | C2' | C1' | H1' | 66.0° | 62.5° |
O2' | C2' | C3' | H3' | 58.3° | 57.0° |
C3' | C2' | C1' | H2' | 119.9° | 120.0° |
C2' | C3' | C4' | H3' | 118.8° | 119.9° |
C2' | C3' | C4' | C5' | 50.9° | 57.0° |
C2' | C3' | C4' | O4' | 168.5° | 176.9° |
C3' | C2' | C1' | O5' | 61.8° | 57.6° |
C3' | C2' | C1' | O1' | 64.8° | 62.3° |
C3' | C2' | C1' | H1' | 178.2° | 177.6° |
C3' | C2' | O2' | HO2' | 180.0° | 180.0° |
C2' | C3' | O3' | HO3' | 180.0° | 60.0° |
C2' | C3' | C4' | H4' | 69.9° | 62.9° |
C1' | C2' | C3' | C4' | 55.7° | 57.0° |
C2' | C1' | O5' | O1' | 125.3° | 120.0° |
C2' | C1' | O5' | H1' | 116.3° | 119.9° |
C2' | C1' | O5' | C5' | 63.6° | 61.1° |
C2' | C1' | O1' | H1' | 116.6° | 120.1° |
C2' | C1' | O1' | HO1' | 180.0° | 179.9° |
C1' | C2' | O2' | HO2' | 62.0° | 60.3° |
C1' | C2' | C3' | H3' | 63.0° | 62.9° |
O6' | C6' | C5' | C4' | 53.8° | 175.0° |
O6' | C6' | C5' | O5' | 69.2° | 65.0° |
O6' | C6' | C5' | H6' | 120.4° | 120.0° |
O6' | C6' | C5' | H6'A | 120.4° | 120.1° |
O6' | C6' | C5' | H5' | 172.9° | 55.0° |
O6' | C6' | H6' | H6'A | 118.9° | 120.0° |
C3' | C4' | C5' | O4' | 120.6° | 120.0° |
C3' | C4' | C5' | H4' | 120.6° | 119.9° |
C3' | C4' | O4' | H4' | 120.4° | 120.2° |
C3' | C4' | O4' | C1 | 117.8° | 90.0° |
C3' | C4' | C5' | O5' | 50.4° | 57.6° |
C3' | C4' | C5' | C6' | 172.5° | 177.6° |
C4' | C3' | C2' | H2' | 64.7° | 63.0° |
C4' | C3' | O3' | HO3' | 59.5° | 179.5° |
C3' | C4' | C5' | H5' | 68.5° | 62.4° |
C5' | C4' | O4' | H4' | 117.9° | 120.1° |
C5' | C4' | O4' | C1 | 120.5° | 150.3° |
C4' | C5' | O5' | C1' | 56.1° | 61.1° |
C4' | C5' | O5' | C6' | 124.6° | 120.0° |
C4' | C5' | O5' | H5' | 118.2° | 120.0° |
C4' | C5' | C6' | H5' | 119.1° | 120.0° |
C5' | C4' | C3' | H3' | 67.9° | 62.9° |
C4' | C5' | C6' | H6' | 66.6° | 55.0° |
C4' | C5' | C6' | H6'A | 174.2° | 65.0° |
C4' | O4' | C1 | C2 | 175.8° | 175.0° |
O4' | C4' | C5' | O5' | 171.0° | 177.5° |
O4' | C4' | C5' | C6' | 66.9° | 62.4° |
C4' | O4' | C1 | H1 | 54.4° | 55.0° |
O4' | C4' | C3' | H3' | 49.7° | 57.0° |
O4' | C4' | C5' | H5' | 52.1° | 57.5° |
O4' | C1 | C2 | H1 | 122.1° | 120.1° |
O4' | C1 | C2 | C3 | 170.9° | 177.6° |
O4' | C1 | C2 | O2 | 65.7° | 62.5° |
O4' | C1 | C2 | H2 | 52.7° | 57.6° |
C1 | O4' | C4' | H4' | 2.6° | 30.2° |
C1 | C2 | C3 | O2 | 122.8° | 119.9° |
C1 | C2 | C3 | H2 | 118.1° | 119.9° |
C1 | C2 | C3 | O3 | 174.0° | 176.8° |
C1 | C2 | O2 | H2 | 117.9° | 120.1° |
C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
C1 | C2 | C3 | H3 | 64.9° | 63.0° |
O5' | C1' | O1' | H1' | 118.1° | 120.0° |
C1' | O5' | C5' | C6' | 179.3° | 178.8° |
O5' | C1' | O1' | HO1' | 54.7° | 60.0° |
O5' | C1' | C2' | H2' | 58.1° | 62.4° |
C1' | O5' | C5' | H5' | 62.1° | 58.9° |
C5' | O5' | C1' | O1' | 61.7° | 58.8° |
O5' | C5' | C6' | H5' | 117.9° | 120.0° |
C5' | O5' | C1' | H1' | 179.9° | 178.9° |
O5' | C5' | C4' | H4' | 70.2° | 62.3° |
O5' | C5' | C6' | H6' | 170.4° | 175.0° |
O5' | C5' | C6' | H6'A | 51.1° | 55.0° |
O1' | C1' | C2' | H2' | 175.3° | 177.7° |
C2 | C3 | O3 | H3 | 120.2° | 120.2° |
C3 | C2 | O2 | H2 | 118.7° | 120.2° |
C3 | C2 | C1 | H1 | 67.0° | 62.4° |
C3 | C2 | O2 | HO2 | 56.5° | 179.7° |
C2 | C3 | O3 | HO3 | 59.1° | 60.0° |
C2 | C3 | C4 | H4 | 63.8° | 63.0° |
O3 | C3 | C2 | O2 | 63.2° | 63.3° |
O3 | C3 | C2 | H2 | 55.9° | 56.9° |
O3 | C3 | C4 | H4 | 57.9° | 57.0° |
C6' | C5' | C4' | H4' | 51.9° | 57.7° |
C5' | C6' | H6' | H6'A | 118.8° | 120.0° |
C5' | C6' | O6' | HO6' | 180.0° | 180.0° |
O2 | C2 | C1 | H1 | 56.4° | 57.6° |
O2 | C2 | C3 | H3 | 57.9° | 56.9° |
H1 | C1 | C2 | H2 | 174.8° | 177.7° |
H2 | C2 | O2 | HO2 | 62.1° | 60.1° |
H2 | C2 | C3 | H3 | 177.0° | 177.1° |
H3 | C3 | O3 | HO3 | 61.1° | 60.2° |
H3 | C3 | C4 | H4 | 178.0° | 177.2° |
H4 | C4 | O4 | HO4 | 59.2° | 60.2° |
H4 | C4 | C5 | H5 | 177.6° | 177.7° |
H5 | C5 | C6 | H6A | 66.2° | 65.0° |
H5 | C5 | C6 | H6 | 54.6° | 175.0° |
H6A | C6 | O6 | HO6 | 60.4° | 60.0° |
H6 | C6 | O6 | HO6 | 60.4° | 59.9° |
H1' | C1' | O1' | HO1' | 63.4° | 60.0° |
H1' | C1' | C2' | H2' | 58.3° | 57.6° |
H2' | C2' | O2' | HO2' | 62.3° | 59.8° |
H2' | C2' | C3' | H3' | 176.6° | 177.2° |
H3' | C3' | O3' | HO3' | 60.4° | 60.3° |
H3' | C3' | C4' | H4' | 171.3° | 177.2° |
H4' | C4' | C5' | H5' | 171.0° | 177.7° |
H5' | C5' | C6' | H6' | 52.5° | 65.1° |
H5' | C5' | C6' | H6'A | 66.7° | 175.0° |
H6' | C6' | O6' | HO6' | 59.7° | 60.1° |
H6'A | C6' | O6' | HO6' | 59.6° | 59.9° |