QEO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2' | C2' | sing | 1.43Å | 1.43Å | |
C2' | C3' | sing | 1.55Å | 1.53Å | |
C2' | C1' | sing | 1.55Å | 1.51Å | |
O3' | C3' | sing | 1.43Å | 1.43Å | |
C3' | C4' | sing | 1.54Å | 1.52Å | |
C1' | N2 | sing | 1.46Å | 1.47Å | |
C1' | O4' | sing | 1.44Å | 1.43Å | |
O5' | C5' | sing | 1.43Å | 1.43Å | |
C8 | N2 | sing | 1.37Å | 1.34Å | Aromatic |
C8 | C7 | doub | 1.34Å | 1.40Å | Aromatic |
C4' | C5' | sing | 1.53Å | 1.52Å | |
C4' | O4' | sing | 1.44Å | 1.43Å | |
N2 | C10 | sing | 1.36Å | 1.33Å | Aromatic |
C7 | C6 | sing | 1.51Å | 1.52Å | |
C7 | C9 | sing | 1.46Å | 1.40Å | Aromatic |
C6 | N1 | sing | 1.47Å | 1.47Å | |
C10 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
C10 | N3 | sing | 1.34Å | 1.36Å | |
N1 | C1 | sing | 1.47Å | 1.48Å | |
C3 | C1 | sing | 1.51Å | 1.51Å | |
C3 | C5 | doub | 1.31Å | 1.33Å | |
C9 | C11 | sing | 1.41Å | 1.49Å | |
N3 | C12 | doub | 1.31Å | 1.34Å | |
C1 | C2 | sing | 1.55Å | 1.53Å | |
C5 | C4 | sing | 1.51Å | 1.51Å | |
C11 | N4 | sing | 1.35Å | 1.35Å | |
C11 | O3 | doub | 1.22Å | 1.36Å | |
C12 | N4 | sing | 1.36Å | 1.34Å | |
C12 | N5 | sing | 1.37Å | 1.34Å | |
C2 | O1 | sing | 1.43Å | 1.43Å | |
C2 | C4 | sing | 1.55Å | 1.55Å | |
C4 | O2 | sing | 1.43Å | 1.45Å | |
O5' | H1 | sing | 0.97Å | 0.95Å | |
C5' | H2 | sing | 1.09Å | 1.10Å | |
C5' | H3 | sing | 1.09Å | 1.10Å | |
C4' | H4 | sing | 1.09Å | 1.10Å | |
C3' | H5 | sing | 1.09Å | 1.10Å | |
O3' | H6 | sing | 0.97Å | 0.95Å | |
C2' | H7 | sing | 1.09Å | 1.10Å | |
O2' | H8 | sing | 0.97Å | 0.95Å | |
C1' | H9 | sing | 1.09Å | 1.10Å | |
N5 | H10 | sing | 0.97Å | 1.00Å | |
N5 | H11 | sing | 0.97Å | 1.00Å | |
N4 | H12 | sing | 0.97Å | 1.00Å | |
C8 | H13 | sing | 1.08Å | 1.08Å | |
C6 | H14 | sing | 1.09Å | 1.10Å | |
C6 | H15 | sing | 1.09Å | 1.10Å | |
N1 | H16 | sing | 1.01Å | 1.00Å | |
C1 | H18 | sing | 1.09Å | 1.10Å | |
C2 | H19 | sing | 1.09Å | 1.10Å | |
O1 | H20 | sing | 0.97Å | 0.95Å | |
C3 | H21 | sing | 1.08Å | 1.08Å | |
C5 | H23 | sing | 1.08Å | 1.08Å | |
C4 | H25 | sing | 1.09Å | 1.10Å | |
O2 | H26 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2' | C2' | C3' | 115.3° | 110.9° |
O2' | C2' | C1' | 110.6° | 110.9° |
O2' | C2' | H7 | 111.0° | 110.8° |
C2' | O2' | H8 | 109.5° | 114.0° |
C3' | C2' | C1' | 100.1° | 102.1° |
C2' | C3' | O3' | 113.8° | 110.6° |
C2' | C3' | C4' | 104.2° | 104.2° |
C2' | C3' | H5 | 110.3° | 110.5° |
C3' | C2' | H7 | 109.6° | 110.9° |
C2' | C1' | N2 | 120.4° | 110.6° |
C2' | C1' | O4' | 105.2° | 103.5° |
C1' | C2' | H7 | 109.8° | 110.9° |
C2' | C1' | H9 | 108.6° | 110.6° |
O3' | C3' | C4' | 106.0° | 110.5° |
O3' | C3' | H5 | 111.8° | 110.4° |
C3' | O3' | H6 | 109.5° | 114.0° |
C3' | C4' | C5' | 113.0° | 109.9° |
C3' | C4' | O4' | 105.7° | 107.2° |
C3' | C4' | H4 | 109.1° | 110.0° |
C4' | C3' | H5 | 110.4° | 110.5° |
N2 | C1' | O4' | 103.4° | 110.6° |
C1' | N2 | C8 | 131.6° | 125.0° |
C1' | N2 | C10 | 118.4° | 125.0° |
N2 | C1' | H9 | 109.1° | 110.6° |
C1' | O4' | C4' | 109.7° | 107.0° |
O4' | C1' | H9 | 109.7° | 110.8° |
O5' | C5' | C4' | 108.4° | 109.5° |
C5' | O5' | H1 | 109.5° | 114.0° |
O5' | C5' | H2 | 109.7° | 109.5° |
O5' | C5' | H3 | 109.7° | 109.4° |
N2 | C8 | C7 | 108.6° | 109.7° |
C8 | N2 | C10 | 109.9° | 110.0° |
N2 | C8 | H13 | 125.7° | 125.1° |
C8 | C7 | C6 | 123.6° | 126.7° |
C8 | C7 | C9 | 106.0° | 106.7° |
C7 | C8 | H13 | 125.7° | 125.2° |
C5' | C4' | O4' | 109.3° | 109.9° |
C4' | C5' | H2 | 109.7° | 109.5° |
C4' | C5' | H3 | 109.7° | 109.5° |
C5' | C4' | H4 | 109.2° | 109.9° |
O4' | C4' | H4 | 110.4° | 109.9° |
N2 | C10 | C9 | 109.0° | 107.3° |
N2 | C10 | N3 | 129.2° | 133.5° |
C6 | C7 | C9 | 130.4° | 126.6° |
C7 | C6 | N1 | 113.4° | 109.5° |
C7 | C6 | H14 | 108.5° | 109.4° |
C7 | C6 | H15 | 108.5° | 109.5° |
C7 | C9 | C10 | 106.5° | 106.3° |
C7 | C9 | C11 | 138.1° | 134.6° |
C6 | N1 | C1 | 116.1° | 111.0° |
N1 | C6 | H14 | 108.5° | 109.4° |
N1 | C6 | H15 | 108.5° | 109.5° |
C6 | N1 | H16 | 107.8° | 111.0° |
C9 | C10 | N3 | 121.8° | 119.2° |
C10 | C9 | C11 | 115.4° | 119.1° |
C10 | N3 | C12 | 120.3° | 121.2° |
N1 | C1 | C3 | 111.3° | 110.4° |
N1 | C1 | C2 | 109.0° | 110.4° |
C1 | N1 | H16 | 107.8° | 111.0° |
N1 | C1 | H18 | 111.8° | 110.4° |
C1 | C3 | C5 | 112.5° | 111.1° |
C3 | C1 | C2 | 102.1° | 104.7° |
C3 | C1 | H18 | 111.3° | 110.5° |
C1 | C3 | H21 | 123.8° | 124.4° |
C3 | C5 | C4 | 111.7° | 111.1° |
C5 | C3 | H21 | 123.8° | 124.4° |
C3 | C5 | H23 | 124.2° | 124.5° |
C9 | C11 | N4 | 118.7° | 118.3° |
C9 | C11 | O3 | 122.9° | 120.9° |
N3 | C12 | N4 | 122.1° | 122.1° |
N3 | C12 | N5 | 118.5° | 119.0° |
C1 | C2 | O1 | 109.2° | 111.0° |
C1 | C2 | C4 | 106.3° | 101.4° |
C2 | C1 | H18 | 111.0° | 110.4° |
C1 | C2 | H19 | 108.9° | 111.0° |
C5 | C4 | C2 | 101.7° | 104.7° |
C5 | C4 | O2 | 114.1° | 110.4° |
C4 | C5 | H23 | 124.1° | 124.4° |
C5 | C4 | H25 | 108.0° | 110.4° |
N4 | C11 | O3 | 118.4° | 120.9° |
C11 | N4 | C12 | 121.7° | 120.2° |
C11 | N4 | H12 | 119.1° | 119.9° |
N4 | C12 | N5 | 119.4° | 118.9° |
C12 | N4 | H12 | 119.2° | 119.9° |
C12 | N5 | H10 | 120.0° | 120.0° |
C12 | N5 | H11 | 120.0° | 120.0° |
O1 | C2 | C4 | 113.5° | 111.1° |
O1 | C2 | H19 | 110.2° | 111.0° |
C2 | O1 | H20 | 109.5° | 114.0° |
C2 | C4 | O2 | 116.3° | 110.4° |
C4 | C2 | H19 | 108.6° | 111.1° |
C2 | C4 | H25 | 107.5° | 110.4° |
O2 | C4 | H25 | 108.8° | 110.5° |
C4 | O2 | H26 | 109.5° | 114.0° |
H2 | C5' | H3 | 109.5° | 109.5° |
H10 | N5 | H11 | 120.0° | 120.0° |
H14 | C6 | H15 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2' | C2' | C3' | C1' | 118.6° | 118.2° |
O2' | C2' | C3' | H7 | 126.0° | 123.6° |
O2' | C2' | C1' | H7 | 122.8° | 123.6° |
O2' | C2' | C3' | O3' | 38.2° | 20.4° |
O2' | C2' | C3' | C4' | 153.2° | 139.1° |
O2' | C2' | C1' | N2 | 84.1° | 86.3° |
O2' | C2' | C1' | O4' | 160.0° | 155.3° |
O2' | C2' | C3' | H5 | 88.3° | 102.2° |
O2' | C2' | C1' | H9 | 42.6° | 36.6° |
C3' | C2' | C1' | H7 | 115.2° | 118.2° |
C2' | C3' | O3' | C4' | 113.9° | 114.8° |
C2' | C3' | O3' | H5 | 125.7° | 122.7° |
C2' | C3' | C4' | H5 | 118.4° | 118.7° |
C3' | C2' | C1' | N2 | 153.9° | 155.5° |
C3' | C2' | C1' | O4' | 38.0° | 37.0° |
C2' | C3' | C4' | C5' | 99.9° | 121.4° |
C2' | C3' | C4' | O4' | 19.7° | 2.1° |
C2' | C3' | C4' | H4 | 138.4° | 117.4° |
C2' | C3' | O3' | H6 | 180.0° | 176.3° |
C3' | C2' | O2' | H8 | 180.0° | 61.4° |
C3' | C2' | C1' | H9 | 79.4° | 81.6° |
C1' | C2' | C3' | O3' | 80.4° | 97.8° |
C1' | C2' | C3' | C4' | 34.6° | 20.9° |
C2' | C1' | N2 | O4' | 116.9° | 114.0° |
C2' | C1' | N2 | H9 | 126.5° | 122.9° |
C2' | C1' | O4' | H9 | 116.6° | 118.6° |
C2' | C1' | N2 | C8 | 27.8° | 95.3° |
C2' | C1' | O4' | C4' | 27.6° | 40.1° |
C2' | C1' | N2 | C10 | 157.1° | 85.1° |
C1' | C2' | C3' | H5 | 153.1° | 139.6° |
C1' | C2' | O2' | H8 | 67.4° | 174.2° |
O3' | C3' | C4' | H5 | 121.2° | 122.5° |
O3' | C3' | C4' | C5' | 139.8° | 119.8° |
O3' | C3' | C4' | O4' | 100.7° | 120.9° |
O3' | C3' | C4' | H4 | 18.1° | 1.4° |
O3' | C3' | C2' | H7 | 164.2° | 143.9° |
C3' | C4' | O4' | C1' | 4.7° | 26.6° |
C3' | C4' | C5' | O5' | 72.5° | 175.8° |
C3' | C4' | C5' | O4' | 117.4° | 117.8° |
C3' | C4' | C5' | H4 | 121.7° | 121.2° |
C3' | C4' | O4' | H4 | 117.9° | 119.6° |
C3' | C4' | C5' | H2 | 47.4° | 64.2° |
C3' | C4' | C5' | H3 | 167.7° | 55.8° |
C4' | C3' | O3' | H6 | 66.1° | 61.4° |
C4' | C3' | C2' | H7 | 80.8° | 97.4° |
N2 | C1' | O4' | H9 | 116.3° | 123.0° |
C1' | N2 | C8 | C10 | 175.5° | 179.7° |
C1' | N2 | C8 | C7 | 176.6° | 179.8° |
N2 | C1' | O4' | C4' | 154.7° | 158.6° |
C1' | N2 | C10 | C9 | 177.3° | 179.9° |
C1' | N2 | C10 | N3 | 2.8° | 0.1° |
N2 | C1' | C2' | H7 | 38.7° | 37.3° |
C1' | N2 | C8 | H13 | 3.4° | 0.0° |
O4' | C1' | N2 | C8 | 89.1° | 18.7° |
C1' | O4' | C4' | C5' | 126.6° | 146.0° |
O4' | C1' | N2 | C10 | 86.1° | 160.9° |
C1' | O4' | C4' | H4 | 113.3° | 93.0° |
O4' | C1' | C2' | H7 | 77.2° | 81.2° |
O5' | C5' | C4' | H2 | 119.8° | 120.0° |
O5' | C5' | C4' | H3 | 119.9° | 120.0° |
O5' | C5' | C4' | O4' | 45.0° | 66.5° |
O5' | C5' | H2 | H3 | 120.5° | 120.0° |
O5' | C5' | C4' | H4 | 165.9° | 54.5° |
N2 | C8 | C7 | H13 | 180.0° | 179.8° |
N2 | C8 | C7 | C6 | 180.0° | 180.0° |
N2 | C8 | C7 | C9 | 0.6° | 0.5° |
C8 | N2 | C10 | C9 | 1.2° | 0.3° |
C8 | N2 | C10 | N3 | 179.0° | 179.7° |
C8 | N2 | C1' | H9 | 154.2° | 141.8° |
C7 | C8 | N2 | C10 | 1.1° | 0.5° |
C8 | C7 | C6 | C9 | 179.2° | 179.4° |
C8 | C7 | C6 | N1 | 165.2° | 100.0° |
C8 | C7 | C9 | C10 | 0.1° | 0.3° |
C8 | C7 | C9 | C11 | 179.8° | 179.8° |
C8 | C7 | C6 | H14 | 74.2° | 20.0° |
C8 | C7 | C6 | H15 | 44.6° | 140.0° |
C5' | C4' | O4' | H4 | 120.2° | 121.1° |
C4' | C5' | O5' | H1 | 180.0° | 180.0° |
C4' | C5' | H2 | H3 | 120.5° | 120.0° |
C5' | C4' | C3' | H5 | 18.5° | 2.7° |
O4' | C4' | C5' | H2 | 164.8° | 53.5° |
O4' | C4' | C5' | H3 | 74.9° | 173.5° |
O4' | C4' | C3' | H5 | 138.1° | 116.7° |
C4' | O4' | C1' | H9 | 89.0° | 78.5° |
N2 | C10 | C9 | C7 | 0.8° | 0.0° |
N2 | C10 | C9 | N3 | 179.9° | 180.0° |
N2 | C10 | C9 | C11 | 179.1° | 179.9° |
N2 | C10 | N3 | C12 | 178.9° | 179.9° |
C10 | N2 | C1' | H9 | 30.6° | 37.8° |
C10 | N2 | C8 | H13 | 178.9° | 179.7° |
C7 | C6 | N1 | H14 | 120.6° | 119.9° |
C7 | C6 | N1 | H15 | 120.6° | 120.1° |
C6 | C7 | C9 | C10 | 179.2° | 179.8° |
C7 | C6 | N1 | C1 | 165.5° | 180.0° |
C6 | C7 | C9 | C11 | 0.9° | 0.3° |
C6 | C7 | C8 | H13 | 0.0° | 0.2° |
C7 | C6 | H14 | H15 | 118.2° | 120.0° |
C7 | C6 | N1 | H16 | 73.6° | 56.1° |
C9 | C7 | C6 | N1 | 15.7° | 79.4° |
C7 | C9 | C10 | C11 | 179.9° | 179.9° |
C7 | C9 | C10 | N3 | 179.4° | 180.0° |
C7 | C9 | C11 | N4 | 179.9° | 179.9° |
C7 | C9 | C11 | O3 | 0.1° | 0.1° |
C9 | C7 | C8 | H13 | 179.4° | 179.7° |
C9 | C7 | C6 | H14 | 105.0° | 160.6° |
C9 | C7 | C6 | H15 | 136.2° | 40.6° |
C6 | N1 | C1 | H16 | 120.9° | 124.0° |
C6 | N1 | C1 | C3 | 138.8° | 89.7° |
C6 | N1 | C1 | C2 | 109.4° | 155.0° |
N1 | C6 | H14 | H15 | 118.2° | 120.0° |
C6 | N1 | C1 | H18 | 13.7° | 32.7° |
C9 | C10 | N3 | C12 | 1.0° | 0.1° |
C10 | C9 | C11 | N4 | 0.1° | 0.1° |
C10 | C9 | C11 | O3 | 179.9° | 180.0° |
N3 | C10 | C9 | C11 | 0.7° | 0.1° |
C10 | N3 | C12 | N4 | 0.5° | 0.1° |
C10 | N3 | C12 | N5 | 179.7° | 179.9° |
N1 | C1 | C3 | C2 | 116.1° | 118.8° |
N1 | C1 | C3 | H18 | 125.4° | 122.4° |
N1 | C1 | C3 | C5 | 101.7° | 135.2° |
N1 | C1 | C2 | H18 | 123.5° | 122.3° |
N1 | C1 | C2 | O1 | 142.2° | 98.5° |
N1 | C1 | C2 | C4 | 95.0° | 143.4° |
C1 | N1 | C6 | H14 | 44.9° | 60.0° |
C1 | N1 | C6 | H15 | 73.9° | 60.0° |
N1 | C1 | C2 | H19 | 21.8° | 25.4° |
N1 | C1 | C3 | H21 | 78.3° | 44.8° |
C1 | C3 | C5 | H21 | 180.0° | 180.0° |
C3 | C1 | C2 | H18 | 118.7° | 118.9° |
C1 | C3 | C5 | C4 | 0.4° | 0.0° |
C3 | C1 | C2 | O1 | 100.1° | 142.7° |
C3 | C1 | C2 | C4 | 22.8° | 24.6° |
C3 | C1 | N1 | H16 | 17.8° | 34.3° |
C3 | C1 | C2 | H19 | 139.6° | 93.4° |
C1 | C3 | C5 | H23 | 179.7° | 180.0° |
C5 | C3 | C1 | C2 | 14.4° | 16.4° |
C3 | C5 | C4 | H23 | 180.0° | 180.0° |
C3 | C5 | C4 | C2 | 14.7° | 16.4° |
C3 | C5 | C4 | O2 | 140.7° | 102.4° |
C5 | C3 | C1 | H18 | 132.9° | 102.4° |
C3 | C5 | C4 | H25 | 98.2° | 135.2° |
C9 | C11 | N4 | O3 | 180.0° | 179.9° |
C9 | C11 | N4 | C12 | 0.3° | 0.1° |
C9 | C11 | N4 | H12 | 179.6° | 180.0° |
N3 | C12 | N4 | C11 | 0.2° | 0.1° |
N3 | C12 | N4 | N5 | 179.8° | 179.9° |
N3 | C12 | N5 | H10 | 0.0° | 0.1° |
N3 | C12 | N5 | H11 | 180.0° | 180.0° |
N3 | C12 | N4 | H12 | 179.8° | 180.0° |
C1 | C2 | C4 | C5 | 22.9° | 24.6° |
C1 | C2 | O1 | C4 | 118.4° | 112.0° |
C1 | C2 | O1 | H19 | 119.5° | 123.9° |
C1 | C2 | C4 | H19 | 117.0° | 118.0° |
C1 | C2 | C4 | O2 | 147.5° | 94.2° |
C2 | C1 | N1 | H16 | 129.7° | 81.0° |
C1 | C2 | O1 | H20 | 180.0° | 180.0° |
C2 | C1 | C3 | H21 | 165.6° | 163.6° |
C1 | C2 | C4 | H25 | 90.4° | 143.4° |
C5 | C4 | C2 | O1 | 97.1° | 142.6° |
C5 | C4 | C2 | O2 | 124.5° | 118.8° |
C5 | C4 | C2 | H25 | 113.3° | 118.8° |
C5 | C4 | O2 | H25 | 120.6° | 122.3° |
C5 | C4 | C2 | H19 | 139.9° | 93.4° |
C4 | C5 | C3 | H21 | 179.6° | 180.0° |
C5 | C4 | O2 | H26 | 180.0° | 64.7° |
C11 | N4 | C12 | H12 | 180.0° | 180.0° |
C11 | N4 | C12 | N5 | 179.7° | 179.9° |
O3 | C11 | N4 | C12 | 179.6° | 180.0° |
O3 | C11 | N4 | H12 | 0.4° | 0.1° |
N4 | C12 | N5 | H10 | 179.9° | 180.0° |
N4 | C12 | N5 | H11 | 0.2° | 0.1° |
C12 | N5 | H10 | H11 | 180.0° | 180.0° |
N5 | C12 | N4 | H12 | 0.3° | 0.1° |
O1 | C2 | C4 | H19 | 123.0° | 124.0° |
O1 | C2 | C4 | O2 | 27.4° | 23.8° |
O1 | C2 | C1 | H18 | 18.7° | 23.8° |
O1 | C2 | C4 | H25 | 149.6° | 98.6° |
C2 | C4 | O2 | H25 | 121.5° | 122.4° |
C4 | C2 | C1 | H18 | 141.5° | 94.3° |
C4 | C2 | O1 | H20 | 61.6° | 68.0° |
C2 | C4 | C5 | H23 | 165.3° | 163.6° |
C2 | C4 | O2 | H26 | 62.1° | 179.9° |
O2 | C4 | C2 | H19 | 95.5° | 147.8° |
O2 | C4 | C5 | H23 | 39.3° | 77.6° |
H1 | O5' | C5' | H2 | 60.2° | 60.0° |
H1 | O5' | C5' | H3 | 60.1° | 60.0° |
H2 | C5' | C4' | H4 | 74.3° | 174.6° |
H3 | C5' | C4' | H4 | 46.0° | 65.4° |
H4 | C4' | C3' | H5 | 103.2° | 123.9° |
H5 | C3' | O3' | H6 | 54.2° | 61.1° |
H5 | C3' | C2' | H7 | 37.7° | 21.3° |
H7 | C2' | O2' | H8 | 54.7° | 62.2° |
H7 | C2' | C1' | H9 | 165.4° | 160.2° |
H14 | C6 | N1 | H16 | 165.8° | 176.0° |
H15 | C6 | N1 | H16 | 47.0° | 64.0° |
H16 | N1 | C1 | H18 | 107.3° | 156.7° |
H18 | C1 | C2 | H19 | 101.7° | 147.7° |
H18 | C1 | C3 | H21 | 47.1° | 77.6° |
H19 | C2 | O1 | H20 | 60.5° | 56.0° |
H19 | C2 | C4 | H25 | 26.6° | 25.4° |
H21 | C3 | C5 | H23 | 0.3° | 0.0° |
H23 | C5 | C4 | H25 | 81.7° | 44.8° |
H25 | C4 | O2 | H26 | 59.4° | 57.6° |