A8M
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C2 | sing | 1.47Å | 1.41Å | |
C2 | C4 | sing | 1.53Å | 1.51Å | |
C4 | C5 | sing | 1.53Å | 1.50Å | |
C5 | N2 | sing | 1.47Å | 1.42Å | |
N2 | C6 | sing | 1.47Å | 1.48Å | |
N2 | C5' | sing | 1.47Å | 1.42Å | |
C5' | C4' | sing | 1.53Å | 1.52Å | |
C4' | O4' | sing | 1.44Å | 1.48Å | |
C4' | C3' | sing | 1.54Å | 1.51Å | |
O4' | C1' | sing | 1.44Å | 1.37Å | |
C1' | N5 | sing | 1.46Å | 1.58Å | |
C1' | C2' | sing | 1.55Å | 1.37Å | |
N5 | C11 | sing | 1.37Å | 1.41Å | Aromatic |
N5 | C7 | sing | 1.36Å | 1.39Å | Aromatic |
C11 | N4 | doub | 1.33Å | 1.36Å | Aromatic |
C11 | C12 | sing | 1.41Å | 1.40Å | Aromatic |
N4 | C10 | sing | 1.32Å | 1.35Å | Aromatic |
C10 | N3 | doub | 1.32Å | 1.35Å | Aromatic |
N3 | C9 | sing | 1.33Å | 1.37Å | Aromatic |
C9 | N7 | sing | 1.39Å | 1.34Å | |
C9 | C12 | doub | 1.41Å | 1.42Å | Aromatic |
C12 | N6 | sing | 1.35Å | 1.38Å | Aromatic |
N6 | C7 | doub | 1.30Å | 1.31Å | Aromatic |
C7 | C8 | sing | 1.51Å | 1.50Å | |
C2' | O2' | sing | 1.43Å | 1.41Å | |
C2' | C3' | sing | 1.55Å | 1.51Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
N1 | HN1 | sing | 1.01Å | 1.00Å | |
N1 | HN1A | sing | 1.01Å | 1.00Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C2 | H2A | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C4 | H4A | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C5 | H5A | sing | 1.09Å | 1.10Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C6 | H6A | sing | 1.09Å | 1.10Å | |
C6 | H6B | sing | 1.09Å | 1.10Å | |
C5' | H5' | sing | 1.09Å | 1.10Å | |
C5' | H5'A | sing | 1.09Å | 1.10Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
C10 | H10 | sing | 1.08Å | 1.08Å | |
N7 | HN7 | sing | 0.97Å | 1.00Å | |
N7 | HN7A | sing | 0.97Å | 1.00Å | |
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 | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C8 | H8A | sing | 1.09Å | 1.10Å | |
C8 | H8B | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N1 | C2 | C4 | 111.0° | 109.5° |
C2 | N1 | HN1 | 109.5° | 111.0° |
C2 | N1 | HN1A | 109.5° | 111.0° |
N1 | C2 | H2 | 109.0° | 109.5° |
N1 | C2 | H2A | 108.6° | 109.5° |
C2 | C4 | C5 | 111.3° | 109.5° |
C4 | C2 | H2 | 109.0° | 109.5° |
C4 | C2 | H2A | 108.6° | 109.5° |
C2 | C4 | H4 | 108.9° | 109.5° |
C2 | C4 | H4A | 108.4° | 109.5° |
C4 | C5 | N2 | 113.4° | 109.5° |
C5 | C4 | H4 | 108.8° | 109.5° |
C5 | C4 | H4A | 108.4° | 109.4° |
C4 | C5 | H5 | 108.2° | 109.5° |
C4 | C5 | H5A | 107.3° | 109.4° |
C5 | N2 | C6 | 109.0° | 111.1° |
C5 | N2 | C5' | 110.9° | 111.0° |
N2 | C5 | H5 | 108.2° | 109.5° |
N2 | C5 | H5A | 107.3° | 109.4° |
C6 | N2 | C5' | 109.9° | 111.0° |
N2 | C6 | H6 | 109.5° | 109.5° |
N2 | C6 | H6A | 109.5° | 109.5° |
N2 | C6 | H6B | 109.4° | 109.4° |
N2 | C5' | C4' | 111.8° | 109.4° |
N2 | C5' | H5' | 108.7° | 109.5° |
N2 | C5' | H5'A | 108.2° | 109.4° |
C5' | C4' | O4' | 114.2° | 109.9° |
C5' | C4' | C3' | 115.3° | 109.8° |
C4' | C5' | H5' | 108.7° | 109.5° |
C4' | C5' | H5'A | 108.2° | 109.5° |
C5' | C4' | H4' | 100.2° | 109.9° |
O4' | C4' | C3' | 103.9° | 107.3° |
C4' | O4' | C1' | 103.2° | 107.0° |
O4' | C4' | H4' | 112.4° | 109.9° |
C4' | C3' | C2' | 99.7° | 104.2° |
C4' | C3' | O3' | 110.8° | 110.4° |
C3' | C4' | H4' | 111.2° | 110.0° |
C4' | C3' | H3' | 114.7° | 110.5° |
O4' | C1' | N5 | 109.3° | 110.6° |
O4' | C1' | C2' | 115.7° | 103.5° |
O4' | C1' | H1' | 106.2° | 110.7° |
N5 | C1' | C2' | 112.1° | 110.6° |
C1' | N5 | C11 | 120.8° | 126.3° |
C1' | N5 | C7 | 134.5° | 126.3° |
N5 | C1' | H1' | 110.2° | 110.5° |
C1' | C2' | O2' | 122.0° | 110.9° |
C1' | C2' | C3' | 101.4° | 102.1° |
C2' | C1' | H1' | 103.0° | 110.7° |
C1' | C2' | H2' | 108.9° | 110.9° |
C11 | N5 | C7 | 104.7° | 107.5° |
N5 | C11 | N4 | 128.9° | 134.9° |
N5 | C11 | C12 | 105.3° | 106.0° |
N5 | C7 | N6 | 114.6° | 110.0° |
N5 | C7 | C8 | 119.7° | 125.0° |
N4 | C11 | C12 | 125.8° | 119.1° |
C11 | N4 | C10 | 111.9° | 120.6° |
C11 | C12 | C9 | 116.9° | 118.2° |
C11 | C12 | N6 | 111.1° | 107.2° |
N4 | C10 | N3 | 128.6° | 122.5° |
N4 | C10 | H10 | 115.7° | 118.7° |
C10 | N3 | C9 | 118.4° | 121.2° |
N3 | C10 | H10 | 115.7° | 118.8° |
N3 | C9 | N7 | 118.6° | 120.7° |
N3 | C9 | C12 | 118.3° | 118.5° |
N7 | C9 | C12 | 123.0° | 120.8° |
C9 | N7 | HN7 | 109.5° | 120.0° |
C9 | N7 | HN7A | 109.5° | 120.0° |
C9 | C12 | N6 | 132.0° | 134.7° |
C12 | N6 | C7 | 104.3° | 109.4° |
N6 | C7 | C8 | 125.7° | 125.0° |
C7 | C8 | H8 | 109.5° | 109.5° |
C7 | C8 | H8A | 109.5° | 109.5° |
C7 | C8 | H8B | 109.5° | 109.5° |
O2' | C2' | C3' | 114.7° | 111.0° |
O2' | C2' | H2' | 93.5° | 110.8° |
C2' | O2' | HO2' | 109.5° | 114.0° |
C2' | C3' | O3' | 109.0° | 110.5° |
C3' | C2' | H2' | 117.1° | 110.9° |
C2' | C3' | H3' | 116.3° | 110.5° |
O3' | C3' | H3' | 106.3° | 110.5° |
C3' | O3' | HO3' | 109.5° | 114.0° |
HN1 | N1 | HN1A | 109.5° | 111.0° |
H2 | C2 | H2A | 110.6° | 109.4° |
H4 | C4 | H4A | 111.0° | 109.5° |
H5 | C5 | H5A | 112.6° | 109.5° |
H6 | C6 | H6A | 109.5° | 109.5° |
H6 | C6 | H6B | 109.4° | 109.4° |
H6A | C6 | H6B | 109.5° | 109.5° |
H5' | C5' | H5'A | 111.4° | 109.5° |
HN7 | N7 | HN7A | 109.4° | 120.0° |
H8 | C8 | H8A | 109.4° | 109.5° |
H8 | C8 | H8B | 109.4° | 109.5° |
H8A | C8 | H8B | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N1 | C2 | C4 | H2 | 120.0° | 120.0° |
N1 | C2 | C4 | H2A | 119.4° | 120.0° |
N1 | C2 | C4 | C5 | 179.7° | 180.0° |
C2 | N1 | HN1 | HN1A | 120.0° | 123.9° |
N1 | C2 | H2 | H2A | 119.4° | 120.0° |
N1 | C2 | C4 | H4 | 59.7° | 60.0° |
N1 | C2 | C4 | H4A | 61.1° | 60.1° |
C2 | C4 | C5 | H4 | 120.0° | 120.0° |
C2 | C4 | C5 | H4A | 119.2° | 119.9° |
C2 | C4 | C5 | N2 | 152.6° | 180.0° |
C4 | C2 | N1 | HN1 | 92.6° | 56.0° |
C4 | C2 | N1 | HN1A | 27.5° | 180.0° |
C4 | C2 | H2 | H2A | 119.4° | 120.0° |
C2 | C4 | H4 | H4A | 119.3° | 120.0° |
C2 | C4 | C5 | H5 | 32.5° | 60.0° |
C2 | C4 | C5 | H5A | 89.1° | 60.1° |
C4 | C5 | N2 | H5 | 120.0° | 120.1° |
C4 | C5 | N2 | H5A | 118.3° | 119.9° |
C4 | C5 | N2 | C6 | 49.6° | 66.0° |
C4 | C5 | N2 | C5' | 71.5° | 170.0° |
C5 | C4 | C2 | H2 | 60.2° | 59.9° |
C5 | C4 | C2 | H2A | 60.4° | 60.0° |
C5 | C4 | H4 | H4A | 119.2° | 120.0° |
C4 | C5 | H5 | H5A | 118.4° | 120.0° |
C5 | N2 | C6 | C5' | 121.7° | 124.0° |
C5 | N2 | C5' | C4' | 178.9° | 170.0° |
N2 | C5 | C4 | H4 | 87.4° | 59.9° |
N2 | C5 | C4 | H4A | 33.4° | 60.1° |
N2 | C5 | H5 | H5A | 118.4° | 120.0° |
C5 | N2 | C6 | H6 | 146.4° | 59.9° |
C5 | N2 | C6 | H6A | 93.6° | 180.0° |
C5 | N2 | C6 | H6B | 26.4° | 60.0° |
C5 | N2 | C5' | H5' | 58.9° | 49.9° |
C5 | N2 | C5' | H5'A | 62.2° | 70.1° |
C6 | N2 | C5' | C4' | 60.5° | 66.0° |
C6 | N2 | C5 | H5 | 70.4° | 174.0° |
C6 | N2 | C5 | H5A | 167.9° | 53.9° |
N2 | C6 | H6 | H6A | 120.0° | 120.1° |
N2 | C6 | H6 | H6B | 120.0° | 119.9° |
N2 | C6 | H6A | H6B | 120.0° | 120.0° |
C6 | N2 | C5' | H5' | 179.5° | 174.0° |
C6 | N2 | C5' | H5'A | 58.4° | 54.0° |
N2 | C5' | C4' | H5' | 120.0° | 120.0° |
N2 | C5' | C4' | H5'A | 119.0° | 119.9° |
N2 | C5' | C4' | O4' | 58.9° | 66.5° |
N2 | C5' | C4' | C3' | 179.0° | 175.7° |
C5' | N2 | C5 | H5 | 168.5° | 49.9° |
C5' | N2 | C5 | H5A | 46.8° | 70.1° |
C5' | N2 | C6 | H6 | 91.9° | 176.1° |
C5' | N2 | C6 | H6A | 28.1° | 56.0° |
C5' | N2 | C6 | H6B | 148.1° | 64.0° |
N2 | C5' | H5' | H5'A | 119.0° | 120.0° |
N2 | C5' | C4' | H4' | 61.5° | 54.5° |
C5' | C4' | O4' | C3' | 126.4° | 119.3° |
C5' | C4' | O4' | H4' | 113.3° | 121.1° |
C5' | C4' | C3' | H4' | 113.2° | 121.1° |
C5' | C4' | O4' | C1' | 103.5° | 145.9° |
C5' | C4' | C3' | C2' | 88.5° | 121.4° |
C5' | C4' | C3' | O3' | 156.8° | 119.9° |
C4' | C5' | H5' | H5'A | 119.0° | 120.0° |
C5' | C4' | C3' | H3' | 36.5° | 2.7° |
O4' | C4' | C3' | H4' | 121.1° | 119.5° |
C4' | O4' | C1' | N5 | 130.0° | 158.6° |
C4' | O4' | C1' | C2' | 2.4° | 40.1° |
O4' | C4' | C3' | C2' | 37.2° | 2.1° |
O4' | C4' | C3' | O3' | 77.5° | 120.7° |
O4' | C4' | C5' | H5' | 61.1° | 53.5° |
O4' | C4' | C5' | H5'A | 177.9° | 173.5° |
C4' | O4' | C1' | H1' | 111.1° | 78.6° |
O4' | C4' | C3' | H3' | 162.2° | 116.7° |
C3' | C4' | O4' | C1' | 22.9° | 26.6° |
C4' | C3' | C2' | C1' | 37.5° | 20.8° |
C4' | C3' | C2' | O2' | 170.9° | 139.1° |
C4' | C3' | C2' | O3' | 116.1° | 118.6° |
C4' | C3' | C2' | H3' | 123.9° | 118.8° |
C4' | C3' | O3' | H3' | 125.2° | 122.6° |
C3' | C4' | C5' | H5' | 59.1° | 64.3° |
C3' | C4' | C5' | H5'A | 62.0° | 55.8° |
C4' | C3' | C2' | H2' | 80.8° | 97.3° |
C4' | C3' | O3' | HO3' | 54.3° | 180.0° |
O4' | C1' | N5 | C2' | 129.6° | 114.1° |
O4' | C1' | N5 | H1' | 116.3° | 122.9° |
O4' | C1' | C2' | H1' | 115.3° | 118.6° |
O4' | C1' | N5 | C11 | 50.1° | 136.4° |
O4' | C1' | N5 | C7 | 129.8° | 43.2° |
O4' | C1' | C2' | O2' | 155.4° | 155.2° |
O4' | C1' | C2' | C3' | 26.4° | 37.0° |
C1' | O4' | C4' | H4' | 143.2° | 93.0° |
O4' | C1' | C2' | H2' | 97.7° | 81.2° |
N5 | C1' | C2' | H1' | 118.5° | 122.9° |
C1' | N5 | C11 | C7 | 179.9° | 179.7° |
C1' | N5 | C11 | N4 | 0.0° | 0.0° |
C1' | N5 | C11 | C12 | 179.9° | 180.0° |
C1' | N5 | C7 | N6 | 179.9° | 179.9° |
C1' | N5 | C7 | C8 | 0.1° | 0.0° |
N5 | C1' | C2' | O2' | 78.4° | 86.3° |
N5 | C1' | C2' | C3' | 152.6° | 155.5° |
N5 | C1' | C2' | H2' | 28.5° | 37.3° |
C2' | C1' | N5 | C11 | 79.5° | 109.5° |
C2' | C1' | N5 | C7 | 100.6° | 70.9° |
C1' | C2' | O2' | C3' | 122.9° | 112.7° |
C1' | C2' | O2' | H2' | 114.9° | 123.6° |
C1' | C2' | C3' | H2' | 118.3° | 118.2° |
C1' | C2' | C3' | O3' | 78.6° | 97.8° |
C1' | C2' | O2' | HO2' | 158.0° | 179.9° |
C1' | C2' | C3' | H3' | 161.4° | 139.6° |
N5 | C11 | N4 | C12 | 179.9° | 180.0° |
N5 | C11 | N4 | C10 | 179.9° | 180.0° |
N5 | C11 | C12 | C9 | 179.8° | 180.0° |
N5 | C11 | C12 | N6 | 0.1° | 0.1° |
C11 | N5 | C7 | N6 | 0.1° | 0.4° |
C11 | N5 | C7 | C8 | 180.0° | 179.7° |
C11 | N5 | C1' | H1' | 166.4° | 13.5° |
C7 | N5 | C11 | N4 | 179.9° | 179.7° |
C7 | N5 | C11 | C12 | 0.1° | 0.3° |
N5 | C7 | N6 | C12 | 0.1° | 0.4° |
N5 | C7 | N6 | C8 | 179.8° | 179.8° |
C7 | N5 | C1' | H1' | 13.5° | 166.1° |
N5 | C7 | C8 | H8 | 137.6° | 90.0° |
N5 | C7 | C8 | H8A | 102.5° | 150.0° |
N5 | C7 | C8 | H8B | 17.6° | 30.1° |
C11 | N4 | C10 | N3 | 0.1° | 0.0° |
N4 | C11 | C12 | C9 | 0.1° | 0.0° |
N4 | C11 | C12 | N6 | 180.0° | 179.9° |
C11 | N4 | C10 | H10 | 179.9° | 179.9° |
C12 | C11 | N4 | C10 | 0.0° | 0.0° |
C11 | C12 | C9 | N3 | 0.1° | 0.1° |
C11 | C12 | C9 | N7 | 180.0° | 180.0° |
C11 | C12 | C9 | N6 | 179.9° | 179.9° |
C11 | C12 | N6 | C7 | 0.0° | 0.2° |
N4 | C10 | N3 | H10 | 180.0° | 179.9° |
N4 | C10 | N3 | C9 | 0.1° | 0.0° |
C10 | N3 | C9 | N7 | 180.0° | 180.0° |
C10 | N3 | C9 | C12 | 0.0° | 0.1° |
N3 | C9 | N7 | C12 | 179.9° | 179.9° |
N3 | C9 | C12 | N6 | 180.0° | 179.9° |
C9 | N3 | C10 | H10 | 179.9° | 180.0° |
N3 | C9 | N7 | HN7 | 21.6° | 0.0° |
N3 | C9 | N7 | HN7A | 141.5° | 180.0° |
N7 | C9 | C12 | N6 | 0.1° | 0.1° |
C9 | N7 | HN7 | HN7A | 120.0° | 180.0° |
C9 | C12 | N6 | C7 | 179.9° | 179.7° |
C12 | C9 | N7 | HN7 | 158.5° | 180.0° |
C12 | C9 | N7 | HN7A | 38.5° | 0.0° |
C12 | N6 | C7 | C8 | 179.9° | 179.8° |
N6 | C7 | C8 | H8 | 42.6° | 89.8° |
N6 | C7 | C8 | H8A | 77.4° | 30.2° |
N6 | C7 | C8 | H8B | 162.6° | 150.1° |
C7 | C8 | H8 | H8A | 120.0° | 120.0° |
C7 | C8 | H8 | H8B | 120.0° | 120.0° |
C7 | C8 | H8A | H8B | 120.0° | 120.0° |
O2' | C2' | C3' | H2' | 108.2° | 123.6° |
O2' | C2' | C3' | O3' | 54.8° | 20.4° |
O2' | C2' | C1' | H1' | 40.1° | 36.6° |
O2' | C2' | C3' | H3' | 65.2° | 102.2° |
C2' | C3' | O3' | H3' | 126.1° | 122.6° |
C2' | C3' | C4' | H4' | 158.3° | 117.4° |
C3' | C2' | C1' | H1' | 88.9° | 81.6° |
C3' | C2' | O2' | HO2' | 79.0° | 67.2° |
C2' | C3' | O3' | HO3' | 54.5° | 65.3° |
O3' | C3' | C4' | H4' | 43.6° | 1.2° |
O3' | C3' | C2' | H2' | 163.1° | 144.0° |
HN1 | N1 | C2 | H2 | 27.5° | 176.0° |
HN1 | N1 | C2 | H2A | 148.1° | 64.0° |
HN1A | N1 | C2 | H2 | 147.5° | 60.0° |
HN1A | N1 | C2 | H2A | 91.9° | 60.0° |
H2 | C2 | C4 | H4 | 179.8° | 180.0° |
H2 | C2 | C4 | H4A | 58.9° | 60.0° |
H2A | C2 | C4 | H4 | 59.6° | 60.0° |
H2A | C2 | C4 | H4A | 179.6° | 180.0° |
H4 | C4 | C5 | H5 | 152.5° | 180.0° |
H4 | C4 | C5 | H5A | 30.9° | 60.0° |
H4A | C4 | C5 | H5 | 86.7° | 60.0° |
H4A | C4 | C5 | H5A | 151.7° | 180.0° |
H6 | C6 | H6A | H6B | 120.0° | 119.9° |
H5' | C5' | C4' | H4' | 178.5° | 174.6° |
H5'A | C5' | C4' | H4' | 57.5° | 65.4° |
H4' | C4' | C3' | H3' | 76.7° | 123.8° |
H1' | C1' | C2' | H2' | 147.0° | 160.2° |
H2' | C2' | O2' | HO2' | 43.1° | 56.4° |
H2' | C2' | C3' | H3' | 43.0° | 21.4° |
H3' | C3' | O3' | HO3' | 179.5° | 57.4° |
H8 | C8 | H8A | H8B | 120.0° | 120.0° |