PRD_900112
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O3' | sing | 1.43Å | 1.44Å | |
C1 | C2 | sing | 1.53Å | 1.55Å | |
C1 | O5 | sing | 1.43Å | 1.47Å | |
C2 | C3 | sing | 1.53Å | 1.55Å | |
C2 | O2 | sing | 1.43Å | 1.43Å | |
C3 | O3 | sing | 1.43Å | 1.44Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
C4 | C5 | sing | 1.53Å | 1.54Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C5 | O5 | sing | 1.43Å | 1.46Å | |
C6 | O6 | sing | 1.43Å | 1.43Å | |
C1' | O5' | sing | 1.43Å | 1.47Å | |
C1' | C2' | sing | 1.53Å | 1.55Å | |
C1' | O1' | sing | 1.43Å | 1.43Å | |
C2' | O2' | sing | 1.43Å | 1.43Å | |
C2' | C3' | sing | 1.53Å | 1.55Å | |
C3' | O3' | sing | 1.43Å | 1.44Å | |
C3' | C4' | sing | 1.53Å | 1.54Å | |
C4' | O4' | sing | 1.43Å | 1.43Å | |
C4' | C5' | sing | 1.53Å | 1.55Å | |
C5' | O5' | sing | 1.43Å | 1.46Å | |
C5' | C6' | sing | 1.53Å | 1.53Å | |
C6' | O6' | sing | 1.43Å | 1.43Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C6 | H6A | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
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 | |
O1' | HO1' | sing | 0.97Å | 0.95Å | |
O2' | HO2' | sing | 0.97Å | 0.95Å | |
O4' | HO4' | sing | 0.97Å | 0.95Å | |
O6' | HO6' | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3' | C1 | C2 | 108.5° | 109.6° |
O3' | C1 | O5 | 109.9° | 109.5° |
C1 | O3' | C3' | 110.3° | 114.0° |
O3' | C1 | H1 | 110.0° | 109.5° |
C2 | C1 | O5 | 110.1° | 109.4° |
C1 | C2 | C3 | 107.7° | 109.1° |
C1 | C2 | O2 | 109.3° | 109.6° |
C2 | C1 | H1 | 108.6° | 109.5° |
C1 | C2 | H2 | 109.3° | 109.5° |
C1 | O5 | C5 | 111.5° | 114.1° |
O5 | C1 | H1 | 109.7° | 109.4° |
C3 | C2 | O2 | 110.0° | 109.6° |
C2 | C3 | O3 | 110.0° | 109.5° |
C2 | C3 | C4 | 108.8° | 109.0° |
C3 | C2 | H2 | 109.4° | 109.5° |
C2 | C3 | H3 | 108.8° | 109.6° |
O2 | C2 | H2 | 111.0° | 109.6° |
C2 | O2 | HO2 | 109.5° | 114.0° |
O3 | C3 | C4 | 109.9° | 109.5° |
O3 | C3 | H3 | 110.4° | 109.5° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C3 | C4 | O4 | 109.4° | 109.5° |
C3 | C4 | C5 | 108.9° | 109.1° |
C4 | C3 | H3 | 109.0° | 109.6° |
C3 | C4 | H4 | 109.1° | 109.6° |
O4 | C4 | C5 | 109.9° | 109.5° |
O4 | C4 | H4 | 110.6° | 109.5° |
C4 | O4 | HO4 | 109.5° | 114.0° |
C4 | C5 | C6 | 108.9° | 109.4° |
C4 | C5 | O5 | 110.0° | 109.4° |
C5 | C4 | H4 | 109.0° | 109.6° |
C4 | C5 | H5 | 109.2° | 109.5° |
C6 | C5 | O5 | 109.1° | 109.5° |
C5 | C6 | O6 | 109.9° | 109.4° |
C6 | C5 | H5 | 109.3° | 109.5° |
C5 | C6 | H6 | 109.4° | 109.5° |
C5 | C6 | H6A | 109.3° | 109.5° |
O5 | C5 | H5 | 110.3° | 109.5° |
O6 | C6 | H6 | 109.4° | 109.5° |
O6 | C6 | H6A | 109.4° | 109.5° |
C6 | O6 | HO6 | 109.5° | 114.0° |
O5' | C1' | C2' | 109.9° | 109.4° |
O5' | C1' | O1' | 109.5° | 109.5° |
C1' | O5' | C5' | 111.4° | 114.1° |
O5' | C1' | H1' | 109.2° | 109.5° |
C2' | C1' | O1' | 110.2° | 109.5° |
C1' | C2' | O2' | 109.7° | 109.5° |
C1' | C2' | C3' | 108.5° | 109.2° |
C2' | C1' | H1' | 108.2° | 109.5° |
C1' | C2' | H2' | 109.2° | 109.5° |
O1' | C1' | H1' | 109.7° | 109.5° |
C1' | O1' | HO1' | 109.5° | 114.0° |
O2' | C2' | C3' | 109.3° | 109.5° |
O2' | C2' | H2' | 110.8° | 109.5° |
C2' | O2' | HO2' | 109.5° | 114.0° |
C2' | C3' | O3' | 110.5° | 109.6° |
C2' | C3' | C4' | 108.2° | 109.1° |
C3' | C2' | H2' | 109.2° | 109.6° |
C2' | C3' | H3' | 109.2° | 109.5° |
O3' | C3' | C4' | 109.0° | 109.6° |
O3' | C3' | H3' | 110.6° | 109.6° |
C3' | C4' | O4' | 109.0° | 109.5° |
C3' | C4' | C5' | 108.6° | 109.2° |
C4' | C3' | H3' | 109.2° | 109.6° |
C3' | C4' | H4' | 109.2° | 109.6° |
O4' | C4' | C5' | 110.2° | 109.5° |
O4' | C4' | H4' | 110.7° | 109.5° |
C4' | O4' | HO4' | 109.5° | 114.0° |
C4' | C5' | O5' | 109.9° | 109.4° |
C4' | C5' | C6' | 108.8° | 109.5° |
C5' | C4' | H4' | 109.1° | 109.5° |
C4' | C5' | H5' | 109.3° | 109.5° |
O5' | C5' | C6' | 109.0° | 109.5° |
O5' | C5' | H5' | 110.4° | 109.5° |
C5' | C6' | O6' | 109.5° | 109.5° |
C6' | C5' | H5' | 109.4° | 109.5° |
C5' | C6' | H6' | 109.5° | 109.5° |
C5' | C6' | H6'A | 109.5° | 109.5° |
O6' | C6' | H6' | 109.5° | 109.5° |
O6' | C6' | H6'A | 109.5° | 109.5° |
C6' | O6' | HO6' | 109.5° | 114.0° |
H6 | C6 | H6A | 109.5° | 109.5° |
H6' | C6' | H6'A | 109.4° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3' | C1 | C2 | O5 | 120.3° | 120.0° |
O3' | C1 | C2 | H1 | 119.5° | 120.1° |
O3' | C1 | O5 | H1 | 121.1° | 120.0° |
O3' | C1 | C2 | C3 | 60.6° | 62.3° |
O3' | C1 | C2 | O2 | 179.8° | 177.7° |
O3' | C1 | O5 | C5 | 57.8° | 58.9° |
C1 | O3' | C3' | C2' | 92.3° | 90.0° |
C1 | O3' | C3' | C4' | 148.9° | 150.4° |
O3' | C1 | C2 | H2 | 58.2° | 57.5° |
C1 | O3' | C3' | H3' | 28.7° | 30.2° |
C2 | C1 | O5 | H1 | 119.4° | 120.0° |
C1 | C2 | C3 | O2 | 119.1° | 120.0° |
C1 | C2 | C3 | H2 | 118.8° | 119.8° |
C1 | C2 | O2 | H2 | 120.7° | 120.2° |
C1 | C2 | C3 | O3 | 179.3° | 176.9° |
C1 | C2 | C3 | C4 | 58.9° | 57.1° |
C2 | C1 | O5 | C5 | 61.6° | 61.2° |
C2 | C1 | O3' | C3' | 155.1° | 170.0° |
C1 | C2 | C3 | H3 | 59.7° | 62.9° |
C1 | C2 | O2 | HO2 | 180.0° | 59.9° |
O5 | C1 | C2 | C3 | 59.7° | 57.7° |
O5 | C1 | C2 | O2 | 59.8° | 62.3° |
C1 | O5 | C5 | C4 | 61.0° | 61.2° |
C1 | O5 | C5 | C6 | 179.6° | 178.9° |
O5 | C1 | O3' | C3' | 84.5° | 70.0° |
O5 | C1 | C2 | H2 | 178.5° | 177.5° |
C1 | O5 | C5 | H5 | 59.5° | 58.8° |
C3 | C2 | O2 | H2 | 121.2° | 120.1° |
C2 | C3 | O3 | C4 | 119.7° | 119.5° |
C2 | C3 | O3 | H3 | 120.1° | 120.2° |
C2 | C3 | C4 | H3 | 118.5° | 120.0° |
C2 | C3 | C4 | O4 | 179.1° | 176.9° |
C2 | C3 | C4 | C5 | 59.0° | 57.0° |
C3 | C2 | C1 | H1 | 179.9° | 177.6° |
C2 | C3 | C4 | H4 | 59.9° | 62.9° |
C3 | C2 | O2 | HO2 | 61.8° | 179.7° |
C2 | C3 | O3 | HO3 | 180.0° | 60.1° |
O2 | C2 | C3 | O3 | 60.2° | 56.9° |
O2 | C2 | C3 | C4 | 60.2° | 62.9° |
O2 | C2 | C1 | H1 | 60.3° | 57.6° |
O2 | C2 | C3 | H3 | 178.8° | 177.1° |
O3 | C3 | C4 | H3 | 121.1° | 120.2° |
O3 | C3 | C4 | O4 | 60.5° | 63.3° |
O3 | C3 | C4 | C5 | 179.5° | 176.8° |
O3 | C3 | C2 | H2 | 62.0° | 63.3° |
O3 | C3 | C4 | H4 | 60.6° | 56.9° |
C3 | C4 | O4 | C5 | 119.4° | 119.6° |
C3 | C4 | O4 | H4 | 120.2° | 120.2° |
C3 | C4 | C5 | H4 | 118.9° | 120.0° |
C3 | C4 | C5 | C6 | 178.9° | 177.6° |
C3 | C4 | C5 | O5 | 59.4° | 57.6° |
C4 | C3 | C2 | H2 | 177.6° | 176.9° |
C3 | C4 | C5 | H5 | 61.8° | 62.4° |
C4 | C3 | O3 | HO3 | 60.2° | 179.6° |
C3 | C4 | O4 | HO4 | 180.0° | 60.1° |
O4 | C4 | C5 | H4 | 121.3° | 120.2° |
O4 | C4 | C5 | C6 | 61.4° | 62.5° |
O4 | C4 | C5 | O5 | 179.1° | 177.5° |
O4 | C4 | C3 | H3 | 60.6° | 56.9° |
O4 | C4 | C5 | H5 | 57.9° | 57.5° |
C4 | C5 | C6 | O5 | 120.1° | 119.9° |
C4 | C5 | C6 | H5 | 119.2° | 120.0° |
C4 | C5 | O5 | H5 | 120.5° | 120.0° |
C4 | C5 | C6 | O6 | 179.7° | 175.0° |
C5 | C4 | C3 | H3 | 59.5° | 63.0° |
C4 | C5 | C6 | H6 | 60.2° | 55.0° |
C4 | C5 | C6 | H6A | 59.7° | 65.0° |
C5 | C4 | O4 | HO4 | 60.5° | 179.7° |
C6 | C5 | O5 | H5 | 120.1° | 120.0° |
C5 | C6 | O6 | H6 | 120.1° | 120.0° |
C5 | C6 | O6 | H6A | 120.0° | 120.0° |
C6 | C5 | C4 | H4 | 59.9° | 57.7° |
C5 | C6 | H6 | H6A | 119.8° | 120.0° |
C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
O5 | C5 | C6 | O6 | 59.7° | 65.1° |
C5 | O5 | C1 | H1 | 178.9° | 178.9° |
O5 | C5 | C4 | H4 | 59.6° | 62.3° |
O5 | C5 | C6 | H6 | 179.7° | 174.9° |
O5 | C5 | C6 | H6A | 60.4° | 54.9° |
O6 | C6 | C5 | H5 | 61.0° | 55.0° |
O6 | C6 | H6 | H6A | 119.8° | 120.0° |
O5' | C1' | C2' | O1' | 120.8° | 120.0° |
O5' | C1' | C2' | H1' | 119.2° | 120.0° |
O5' | C1' | O1' | H1' | 119.9° | 120.1° |
O5' | C1' | C2' | O2' | 59.9° | 62.3° |
O5' | C1' | C2' | C3' | 59.5° | 57.6° |
C1' | O5' | C5' | C4' | 61.3° | 61.1° |
C1' | O5' | C5' | C6' | 179.5° | 178.8° |
O5' | C1' | C2' | H2' | 178.4° | 177.6° |
C1' | O5' | C5' | H5' | 59.3° | 58.8° |
O5' | C1' | O1' | HO1' | 180.0° | 60.1° |
C2' | C1' | O1' | H1' | 119.0° | 120.0° |
C1' | C2' | O2' | C3' | 118.9° | 119.7° |
C1' | C2' | O2' | H2' | 120.7° | 120.1° |
C1' | C2' | C3' | H2' | 118.9° | 120.0° |
C1' | C2' | C3' | O3' | 178.4° | 176.9° |
C1' | C2' | C3' | C4' | 59.1° | 57.0° |
C2' | C1' | O5' | C5' | 61.1° | 61.1° |
C1' | C2' | C3' | H3' | 59.8° | 63.0° |
C2' | C1' | O1' | HO1' | 58.9° | 179.9° |
C1' | C2' | O2' | HO2' | 180.0° | 60.0° |
O1' | C1' | C2' | O2' | 179.3° | 177.7° |
O1' | C1' | C2' | C3' | 61.3° | 62.4° |
O1' | C1' | O5' | C5' | 60.2° | 58.8° |
O1' | C1' | C2' | H2' | 57.6° | 57.6° |
O2' | C2' | C3' | H2' | 121.4° | 120.1° |
O2' | C2' | C3' | O3' | 58.7° | 56.9° |
O2' | C2' | C3' | C4' | 60.6° | 62.9° |
O2' | C2' | C1' | H1' | 59.3° | 57.7° |
O2' | C2' | C3' | H3' | 179.4° | 177.1° |
C2' | C3' | O3' | C4' | 118.8° | 119.6° |
C2' | C3' | O3' | H3' | 121.0° | 120.1° |
C2' | C3' | C4' | H3' | 118.8° | 119.9° |
C2' | C3' | C4' | O4' | 179.5° | 176.9° |
C2' | C3' | C4' | C5' | 59.4° | 57.0° |
C3' | C2' | C1' | H1' | 178.7° | 177.6° |
C2' | C3' | C4' | H4' | 59.5° | 63.0° |
C3' | C2' | O2' | HO2' | 61.1° | 179.7° |
O3' | C3' | C4' | H3' | 121.0° | 120.2° |
O3' | C3' | C4' | O4' | 60.3° | 63.2° |
O3' | C3' | C4' | C5' | 179.6° | 176.9° |
C3' | O3' | C1 | H1 | 36.4° | 49.9° |
O3' | C3' | C2' | H2' | 62.7° | 63.2° |
O3' | C3' | C4' | H4' | 60.8° | 56.9° |
C3' | C4' | O4' | C5' | 119.1° | 119.7° |
C3' | C4' | O4' | H4' | 120.1° | 120.2° |
C3' | C4' | C5' | H4' | 118.9° | 120.0° |
C3' | C4' | C5' | O5' | 60.2° | 57.6° |
C3' | C4' | C5' | C6' | 179.5° | 177.6° |
C4' | C3' | C2' | H2' | 178.0° | 176.9° |
C3' | C4' | C5' | H5' | 61.1° | 62.4° |
C3' | C4' | O4' | HO4' | 180.0° | 180.0° |
O4' | C4' | C5' | H4' | 121.7° | 120.1° |
O4' | C4' | C5' | O5' | 179.6° | 177.5° |
O4' | C4' | C5' | C6' | 61.1° | 62.5° |
O4' | C4' | C3' | H3' | 60.7° | 57.0° |
O4' | C4' | C5' | H5' | 58.3° | 57.5° |
C4' | C5' | O5' | C6' | 119.2° | 120.0° |
C4' | C5' | O5' | H5' | 120.6° | 120.0° |
C4' | C5' | C6' | H5' | 119.3° | 120.0° |
C4' | C5' | C6' | O6' | 179.9° | 175.0° |
C5' | C4' | C3' | H3' | 59.4° | 62.9° |
C4' | C5' | C6' | H6' | 59.9° | 55.0° |
C4' | C5' | C6' | H6'A | 60.1° | 65.0° |
C5' | C4' | O4' | HO4' | 60.9° | 60.3° |
O5' | C5' | C6' | H5' | 120.8° | 120.0° |
O5' | C5' | C6' | O6' | 60.3° | 65.0° |
C5' | O5' | C1' | H1' | 179.7° | 178.9° |
O5' | C5' | C4' | H4' | 58.7° | 62.4° |
O5' | C5' | C6' | H6' | 179.8° | 174.9° |
O5' | C5' | C6' | H6'A | 59.8° | 55.0° |
C5' | C6' | O6' | H6' | 120.0° | 120.0° |
C5' | C6' | O6' | H6'A | 120.0° | 120.0° |
C6' | C5' | C4' | H4' | 60.6° | 57.6° |
C5' | C6' | H6' | H6'A | 120.0° | 120.0° |
C5' | C6' | O6' | HO6' | 180.0° | 180.0° |
O6' | C6' | C5' | H5' | 60.6° | 55.0° |
O6' | C6' | H6' | H6'A | 120.0° | 120.0° |
H1 | C1 | C2 | H2 | 61.4° | 62.6° |
H2 | C2 | C3 | H3 | 59.0° | 56.9° |
H2 | C2 | O2 | HO2 | 59.4° | 60.2° |
H3 | C3 | C4 | H4 | 178.4° | 177.1° |
H3 | C3 | O3 | HO3 | 60.0° | 60.1° |
H4 | C4 | C5 | H5 | 179.2° | 177.7° |
H4 | C4 | O4 | HO4 | 59.9° | 60.1° |
H5 | C5 | C6 | H6 | 59.0° | 65.0° |
H5 | C5 | C6 | H6A | 178.9° | 175.0° |
H6 | C6 | O6 | HO6 | 59.9° | 60.0° |
H6A | C6 | O6 | HO6 | 60.0° | 60.0° |
H1' | C1' | C2' | H2' | 62.3° | 62.4° |
H1' | C1' | O1' | HO1' | 60.1° | 60.1° |
H2' | C2' | C3' | H3' | 59.2° | 57.0° |
H2' | C2' | O2' | HO2' | 59.3° | 60.1° |
H3' | C3' | C4' | H4' | 178.2° | 177.1° |
H4' | C4' | C5' | H5' | 180.0° | 177.6° |
H4' | C4' | O4' | HO4' | 59.9° | 59.9° |
H5' | C5' | C6' | H6' | 59.4° | 65.0° |
H5' | C5' | C6' | H6'A | 179.4° | 175.0° |
H6' | C6' | O6' | HO6' | 60.0° | 60.0° |
H6'A | C6' | O6' | HO6' | 60.0° | 60.0° |