VKK
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3' | C3' | sing | 1.43Å | 1.44Å | |
O4' | C4' | sing | 1.43Å | 1.45Å | |
C3' | C4' | sing | 1.53Å | 1.51Å | |
C3' | C2' | sing | 1.53Å | 1.52Å | |
C4' | C5' | sing | 1.53Å | 1.56Å | |
O2' | C2' | sing | 1.43Å | 1.44Å | |
C2' | C1' | sing | 1.53Å | 1.52Å | |
O6' | C6' | sing | 1.43Å | 1.46Å | |
C5' | C6' | sing | 1.53Å | 1.51Å | |
C5' | O5' | sing | 1.43Å | 1.46Å | |
C1' | O5' | sing | 1.43Å | 1.42Å | |
C1' | O1' | sing | 1.43Å | 1.44Å | |
O1' | C2 | sing | 1.35Å | 1.39Å | |
C2 | O2 | doub | 1.22Å | 1.24Å | |
C2 | C3 | sing | 1.42Å | 1.45Å | |
C3 | C4 | doub | 1.35Å | 1.34Å | |
C4 | C5 | sing | 1.47Å | 1.44Å | |
C6 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
C5 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
C8 | O8 | sing | 1.36Å | 1.38Å | |
C5' | H1 | sing | 1.09Å | 1.10Å | |
C4' | H2 | sing | 1.09Å | 1.10Å | |
O4' | H3 | sing | 0.97Å | 0.95Å | |
C3' | H4 | sing | 1.09Å | 1.10Å | |
O3' | H5 | sing | 0.97Å | 0.95Å | |
C2' | H6 | sing | 1.09Å | 1.10Å | |
O2' | H7 | sing | 0.97Å | 0.95Å | |
C1' | H8 | sing | 1.09Å | 1.10Å | |
C6 | H9 | sing | 1.08Å | 1.08Å | |
C4 | H10 | sing | 1.08Å | 1.08Å | |
C6' | H11 | sing | 1.09Å | 1.10Å | |
C6' | H12 | sing | 1.09Å | 1.10Å | |
O6' | H13 | sing | 0.97Å | 0.95Å | |
C3 | H14 | sing | 1.08Å | 1.08Å | |
C7 | H15 | sing | 1.08Å | 1.08Å | |
C9 | H16 | sing | 1.08Å | 1.08Å | |
C10 | H17 | sing | 1.08Å | 1.08Å | |
O8 | H18 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3' | C3' | C4' | 109.2° | 109.6° |
O3' | C3' | C2' | 111.0° | 109.5° |
O3' | C3' | H4 | 109.9° | 109.6° |
C3' | O3' | H5 | 109.5° | 114.0° |
O4' | C4' | C3' | 109.9° | 109.6° |
O4' | C4' | C5' | 106.5° | 109.5° |
O4' | C4' | H2 | 110.2° | 109.5° |
C4' | O4' | H3 | 109.5° | 114.0° |
C4' | C3' | C2' | 109.1° | 109.0° |
C3' | C4' | C5' | 111.9° | 109.2° |
C3' | C4' | H2 | 109.4° | 109.5° |
C4' | C3' | H4 | 108.8° | 109.6° |
C3' | C2' | O2' | 112.2° | 109.5° |
C3' | C2' | C1' | 109.9° | 109.1° |
C2' | C3' | H4 | 108.8° | 109.5° |
C3' | C2' | H6 | 108.5° | 109.5° |
C4' | C5' | C6' | 113.6° | 109.5° |
C4' | C5' | O5' | 107.4° | 109.4° |
C4' | C5' | H1 | 109.8° | 109.5° |
C5' | C4' | H2 | 108.8° | 109.5° |
O2' | C2' | C1' | 108.4° | 109.5° |
O2' | C2' | H6 | 109.4° | 109.6° |
C2' | O2' | H7 | 109.5° | 114.0° |
C2' | C1' | O5' | 110.4° | 109.4° |
C2' | C1' | O1' | 109.1° | 109.5° |
C1' | C2' | H6 | 108.4° | 109.5° |
C2' | C1' | H8 | 109.5° | 109.5° |
O6' | C6' | C5' | 111.6° | 109.5° |
O6' | C6' | H11 | 108.9° | 109.5° |
O6' | C6' | H12 | 108.9° | 109.5° |
C6' | O6' | H13 | 109.5° | 114.0° |
C6' | C5' | O5' | 104.4° | 109.5° |
C6' | C5' | H1 | 110.4° | 109.4° |
C5' | C6' | H11 | 108.9° | 109.5° |
C5' | C6' | H12 | 109.0° | 109.4° |
C5' | O5' | C1' | 109.4° | 114.1° |
O5' | C5' | H1 | 111.1° | 109.5° |
O5' | C1' | O1' | 106.1° | 109.4° |
O5' | C1' | H8 | 111.1° | 109.5° |
C1' | O1' | C2 | 112.2° | 117.0° |
O1' | C1' | H8 | 110.7° | 109.5° |
O1' | C2 | O2 | 125.1° | 120.0° |
O1' | C2 | C3 | 112.9° | 120.0° |
O2 | C2 | C3 | 121.9° | 120.0° |
C2 | C3 | C4 | 115.4° | 120.0° |
C2 | C3 | H14 | 122.3° | 120.0° |
C3 | C4 | C5 | 127.5° | 120.0° |
C3 | C4 | H10 | 116.3° | 120.0° |
C4 | C3 | H14 | 122.3° | 120.0° |
C4 | C5 | C6 | 118.2° | 120.1° |
C4 | C5 | C10 | 121.7° | 120.1° |
C5 | C4 | H10 | 116.3° | 120.0° |
C5 | C6 | C7 | 119.9° | 119.9° |
C6 | C5 | C10 | 120.1° | 119.8° |
C5 | C6 | H9 | 120.1° | 120.0° |
C6 | C7 | C8 | 119.8° | 120.1° |
C7 | C6 | H9 | 120.1° | 120.0° |
C6 | C7 | H15 | 120.1° | 120.0° |
C5 | C10 | C9 | 120.3° | 119.9° |
C5 | C10 | H17 | 119.8° | 120.0° |
C7 | C8 | C9 | 121.2° | 120.2° |
C7 | C8 | O8 | 116.6° | 119.9° |
C8 | C7 | H15 | 120.1° | 119.9° |
C10 | C9 | C8 | 118.6° | 120.1° |
C10 | C9 | H16 | 120.7° | 120.0° |
C9 | C10 | H17 | 119.8° | 120.1° |
C9 | C8 | O8 | 122.2° | 119.9° |
C8 | C9 | H16 | 120.7° | 119.9° |
C8 | O8 | H18 | 109.5° | 114.1° |
H11 | C6' | H12 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3' | C3' | C4' | O4' | 67.8° | 63.2° |
O3' | C3' | C4' | C2' | 121.5° | 119.8° |
O3' | C3' | C4' | H4 | 120.0° | 120.3° |
O3' | C3' | C2' | H4 | 121.0° | 120.2° |
O3' | C3' | C4' | C5' | 174.1° | 176.9° |
O3' | C3' | C2' | O2' | 66.5° | 63.3° |
O3' | C3' | C2' | C1' | 172.8° | 176.9° |
O3' | C3' | C4' | H2 | 53.4° | 56.9° |
O3' | C3' | C2' | H6 | 54.5° | 57.0° |
O4' | C4' | C3' | C5' | 118.2° | 119.9° |
O4' | C4' | C3' | H2 | 121.1° | 120.2° |
O4' | C4' | C3' | C2' | 170.7° | 176.9° |
O4' | C4' | C5' | H2 | 118.8° | 120.2° |
O4' | C4' | C5' | C6' | 67.1° | 62.4° |
O4' | C4' | C5' | O5' | 178.0° | 177.6° |
O4' | C4' | C5' | H1 | 57.1° | 57.5° |
O4' | C4' | C3' | H4 | 52.2° | 57.0° |
C4' | C3' | C2' | H4 | 118.6° | 119.9° |
C3' | C4' | C5' | H2 | 121.0° | 119.9° |
C4' | C3' | C2' | O2' | 173.2° | 176.9° |
C4' | C3' | C2' | C1' | 52.4° | 57.0° |
C3' | C4' | C5' | C6' | 172.8° | 177.6° |
C3' | C4' | C5' | O5' | 57.8° | 57.6° |
C3' | C4' | C5' | H1 | 63.1° | 62.4° |
C3' | C4' | O4' | H3 | 180.0° | 60.4° |
C4' | C3' | O3' | H5 | 180.0° | 180.0° |
C4' | C3' | C2' | H6 | 65.9° | 62.9° |
C2' | C3' | C4' | C5' | 52.6° | 57.0° |
C3' | C2' | O2' | C1' | 121.6° | 119.6° |
C3' | C2' | O2' | H6 | 120.4° | 120.2° |
C3' | C2' | C1' | H6 | 118.4° | 119.9° |
C3' | C2' | C1' | O5' | 60.7° | 57.6° |
C3' | C2' | C1' | O1' | 176.8° | 177.6° |
C2' | C3' | C4' | H2 | 68.1° | 62.9° |
C2' | C3' | O3' | H5 | 59.7° | 60.4° |
C3' | C2' | O2' | H7 | 180.0° | 180.0° |
C3' | C2' | C1' | H8 | 61.9° | 62.4° |
C4' | C5' | C6' | O6' | 45.0° | 175.1° |
C4' | C5' | C6' | O5' | 116.7° | 120.0° |
C4' | C5' | C6' | H1 | 123.8° | 120.0° |
C4' | C5' | O5' | H1 | 120.1° | 120.0° |
C4' | C5' | O5' | C1' | 64.2° | 61.1° |
C5' | C4' | O4' | H3 | 58.6° | 180.0° |
C5' | C4' | C3' | H4 | 66.0° | 62.9° |
C4' | C5' | C6' | H11 | 75.3° | 55.0° |
C4' | C5' | C6' | H12 | 165.3° | 64.9° |
O2' | C2' | C1' | H6 | 118.7° | 120.2° |
O2' | C2' | C1' | O5' | 176.4° | 177.5° |
O2' | C2' | C1' | O1' | 60.2° | 62.5° |
O2' | C2' | C3' | H4 | 54.6° | 57.0° |
O2' | C2' | C1' | H8 | 61.1° | 57.5° |
C2' | C1' | O5' | C5' | 67.2° | 61.1° |
C2' | C1' | O5' | O1' | 118.0° | 120.0° |
C2' | C1' | O5' | H8 | 121.6° | 120.0° |
C2' | C1' | O1' | H8 | 120.6° | 120.1° |
C2' | C1' | O1' | C2 | 146.2° | 175.0° |
C1' | C2' | C3' | H4 | 66.1° | 62.9° |
C1' | C2' | O2' | H7 | 58.4° | 60.3° |
O6' | C6' | C5' | H11 | 120.3° | 120.1° |
O6' | C6' | C5' | H12 | 120.3° | 120.0° |
O6' | C6' | C5' | O5' | 71.7° | 65.0° |
O6' | C6' | C5' | H1 | 168.8° | 55.0° |
O6' | C6' | H11 | H12 | 119.0° | 120.0° |
C6' | C5' | O5' | H1 | 119.0° | 119.9° |
C6' | C5' | O5' | C1' | 174.9° | 178.8° |
C6' | C5' | C4' | H2 | 51.7° | 57.7° |
C5' | C6' | H11 | H12 | 119.0° | 119.9° |
C5' | C6' | O6' | H13 | 180.0° | 180.0° |
C5' | O5' | C1' | O1' | 174.8° | 178.9° |
O5' | C5' | C4' | H2 | 63.2° | 62.3° |
C5' | O5' | C1' | H8 | 54.4° | 58.9° |
O5' | C5' | C6' | H11 | 168.0° | 175.0° |
O5' | C5' | C6' | H12 | 48.7° | 55.1° |
O5' | C1' | O1' | H8 | 120.6° | 120.0° |
O5' | C1' | O1' | C2 | 94.9° | 65.0° |
C1' | O5' | C5' | H1 | 55.9° | 58.9° |
O5' | C1' | C2' | H6 | 57.7° | 62.3° |
C1' | O1' | C2 | O2 | 2.2° | 0.0° |
C1' | O1' | C2 | C3 | 179.5° | 180.0° |
O1' | C1' | C2' | H6 | 58.5° | 57.7° |
O1' | C2 | O2 | C3 | 177.1° | 179.9° |
O1' | C2 | C3 | C4 | 162.9° | 180.0° |
C2 | O1' | C1' | H8 | 25.7° | 54.9° |
O1' | C2 | C3 | H14 | 17.1° | 0.0° |
O2 | C2 | C3 | C4 | 14.5° | 0.1° |
O2 | C2 | C3 | H14 | 165.5° | 180.0° |
C2 | C3 | C4 | H14 | 180.0° | 179.9° |
C2 | C3 | C4 | C5 | 174.2° | 180.0° |
C2 | C3 | C4 | H10 | 5.8° | 0.1° |
C3 | C4 | C5 | H10 | 180.0° | 179.9° |
C3 | C4 | C5 | C6 | 5.9° | 0.6° |
C3 | C4 | C5 | C10 | 172.0° | 180.0° |
C4 | C5 | C6 | C10 | 178.0° | 179.4° |
C4 | C5 | C6 | C7 | 179.9° | 179.8° |
C4 | C5 | C10 | C9 | 178.7° | 179.9° |
C4 | C5 | C6 | H9 | 0.1° | 0.5° |
C5 | C4 | C3 | H14 | 5.8° | 0.1° |
C4 | C5 | C10 | H17 | 1.2° | 0.6° |
C5 | C6 | C7 | H9 | 180.0° | 179.3° |
C5 | C6 | C7 | C8 | 1.8° | 0.5° |
C6 | C5 | C10 | C9 | 0.8° | 0.5° |
C6 | C5 | C4 | H10 | 174.1° | 179.5° |
C5 | C6 | C7 | H15 | 178.2° | 179.5° |
C6 | C5 | C10 | H17 | 179.2° | 180.0° |
C7 | C6 | C5 | C10 | 1.9° | 0.8° |
C6 | C7 | C8 | H15 | 180.0° | 180.0° |
C6 | C7 | C8 | C9 | 0.6° | 0.0° |
C6 | C7 | C8 | O8 | 179.7° | 179.7° |
C5 | C10 | C9 | H17 | 180.0° | 179.5° |
C5 | C10 | C9 | C8 | 0.4° | 0.0° |
C10 | C5 | C6 | H9 | 178.1° | 179.9° |
C10 | C5 | C4 | H10 | 7.9° | 0.1° |
C5 | C10 | C9 | H16 | 179.6° | 180.0° |
C7 | C8 | C9 | C10 | 0.5° | 0.3° |
C7 | C8 | C9 | O8 | 179.0° | 179.6° |
C8 | C7 | C6 | H9 | 178.2° | 179.8° |
C7 | C8 | C9 | H16 | 179.5° | 179.7° |
C7 | C8 | O8 | H18 | 180.0° | 89.7° |
C10 | C9 | C8 | H16 | 180.0° | 180.0° |
C10 | C9 | C8 | O8 | 178.5° | 179.9° |
C9 | C8 | C7 | H15 | 179.4° | 180.0° |
C8 | C9 | C10 | H17 | 179.6° | 179.5° |
C9 | C8 | O8 | H18 | 1.0° | 90.0° |
O8 | C8 | C7 | H15 | 0.4° | 0.4° |
O8 | C8 | C9 | H16 | 1.5° | 0.1° |
H1 | C5' | C4' | H2 | 175.9° | 177.7° |
H1 | C5' | C6' | H11 | 48.5° | 65.1° |
H1 | C5' | C6' | H12 | 70.8° | 175.1° |
H2 | C4' | O4' | H3 | 59.3° | 59.8° |
H2 | C4' | C3' | H4 | 173.3° | 177.2° |
H4 | C3' | O3' | H5 | 60.7° | 59.8° |
H4 | C3' | C2' | H6 | 175.5° | 177.2° |
H6 | C2' | O2' | H7 | 59.6° | 59.8° |
H6 | C2' | C1' | H8 | 179.8° | 177.7° |
H9 | C6 | C7 | H15 | 1.8° | 0.2° |
H10 | C4 | C3 | H14 | 174.2° | 180.0° |
H11 | C6' | O6' | H13 | 59.7° | 59.9° |
H12 | C6' | O6' | H13 | 59.7° | 60.0° |
H16 | C9 | C10 | H17 | 0.4° | 0.5° |