48F
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3' | C3' | sing | 1.43Å | 1.43Å | |
O2' | C2' | sing | 1.43Å | 1.43Å | |
C3' | C2' | sing | 1.55Å | 1.52Å | |
C3' | C4' | sing | 1.54Å | 1.53Å | |
C2' | C1' | sing | 1.55Å | 1.52Å | |
C4' | C5' | sing | 1.53Å | 1.53Å | |
C4' | O4' | sing | 1.44Å | 1.43Å | |
C1' | N9 | sing | 1.46Å | 1.48Å | |
C1' | O4' | sing | 1.44Å | 1.44Å | |
O2A | PA | doub | 1.48Å | 1.51Å | |
O4D | C4D | sing | 1.43Å | 1.43Å | |
N3 | C2 | doub | 1.32Å | 1.35Å | Aromatic |
N3 | C4 | sing | 1.33Å | 1.36Å | Aromatic |
C2 | N1 | sing | 1.32Å | 1.35Å | Aromatic |
C5' | O5' | sing | 1.43Å | 1.41Å | |
N9 | C4 | sing | 1.37Å | 1.33Å | Aromatic |
N9 | C8 | sing | 1.36Å | 1.35Å | Aromatic |
C4 | C5 | doub | 1.41Å | 1.48Å | Aromatic |
O5' | PA | sing | 1.61Å | 1.61Å | |
PA | O1A | sing | 1.61Å | 1.52Å | |
PA | O3A | sing | 1.61Å | 1.63Å | |
N1 | C6 | doub | 1.33Å | 1.36Å | Aromatic |
C4D | C3D | sing | 1.53Å | 1.53Å | |
C4D | C5D | sing | 1.53Å | 1.53Å | |
C8 | N7 | doub | 1.30Å | 1.37Å | Aromatic |
C3D | O3D | sing | 1.43Å | 1.44Å | |
C3D | C2D | sing | 1.51Å | 1.52Å | |
C5 | C6 | sing | 1.41Å | 1.48Å | Aromatic |
C5 | N7 | sing | 1.35Å | 1.35Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.35Å | |
O5D | C5D | sing | 1.43Å | 1.43Å | |
O5D | PB | sing | 1.61Å | 1.62Å | |
O3A | PB | sing | 1.61Å | 1.63Å | |
C2D | O2D | doub | 1.21Å | 1.23Å | |
C2D | C1D | sing | 1.51Å | 1.53Å | |
O1B | PB | doub | 1.48Å | 1.52Å | |
PB | O2B | sing | 1.61Å | 1.52Å | |
O1D | C1D | sing | 1.43Å | 1.44Å | |
O1A | H1 | sing | 0.97Å | 0.95Å | |
C5D | H2 | sing | 1.09Å | 1.10Å | |
C5D | H3 | sing | 1.09Å | 1.10Å | |
C4D | H4 | sing | 1.09Å | 1.10Å | |
O4D | H5 | sing | 0.97Å | 0.95Å | |
C3D | H6 | sing | 1.09Å | 1.10Å | |
C1D | H7 | sing | 1.09Å | 1.10Å | |
C1D | H8 | sing | 1.09Å | 1.10Å | |
O1D | H9 | sing | 0.97Å | 0.95Å | |
O3D | H10 | sing | 0.97Å | 0.95Å | |
O2B | H11 | sing | 0.97Å | 0.95Å | |
C5' | H12 | sing | 1.09Å | 1.10Å | |
C5' | H13 | sing | 1.09Å | 1.10Å | |
C4' | H14 | sing | 1.09Å | 1.10Å | |
C1' | H15 | sing | 1.09Å | 1.10Å | |
C2' | H16 | sing | 1.09Å | 1.10Å | |
O2' | H17 | sing | 0.97Å | 0.95Å | |
C3' | H18 | sing | 1.09Å | 1.10Å | |
O3' | H19 | sing | 0.97Å | 0.95Å | |
C8 | H20 | sing | 1.08Å | 1.08Å | |
N6 | H21 | sing | 0.97Å | 1.00Å | |
N6 | H22 | sing | 0.97Å | 1.00Å | |
C2 | H23 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3' | C3' | C2' | 111.7° | 110.5° |
O3' | C3' | C4' | 107.8° | 110.5° |
O3' | C3' | H18 | 111.6° | 110.6° |
C3' | O3' | H19 | 109.5° | 114.0° |
O2' | C2' | C3' | 113.9° | 110.9° |
O2' | C2' | C1' | 112.1° | 110.9° |
O2' | C2' | H16 | 110.6° | 110.8° |
C2' | O2' | H17 | 109.5° | 113.9° |
C2' | C3' | C4' | 105.1° | 104.2° |
C3' | C2' | C1' | 101.1° | 102.1° |
C3' | C2' | H16 | 109.3° | 110.9° |
C2' | C3' | H18 | 110.2° | 110.5° |
C3' | C4' | C5' | 115.8° | 109.8° |
C3' | C4' | O4' | 103.9° | 107.3° |
C3' | C4' | H14 | 106.6° | 110.0° |
C4' | C3' | H18 | 110.1° | 110.5° |
C2' | C1' | N9 | 116.9° | 110.6° |
C2' | C1' | O4' | 102.1° | 103.5° |
C2' | C1' | H15 | 108.1° | 110.7° |
C1' | C2' | H16 | 109.4° | 110.9° |
C5' | C4' | O4' | 115.6° | 109.9° |
C4' | C5' | O5' | 112.7° | 109.4° |
C4' | C5' | H12 | 108.7° | 109.4° |
C4' | C5' | H13 | 108.7° | 109.5° |
C5' | C4' | H14 | 106.6° | 109.9° |
C4' | O4' | C1' | 103.4° | 107.0° |
O4' | C4' | H14 | 107.8° | 109.9° |
N9 | C1' | O4' | 111.6° | 110.6° |
C1' | N9 | C4 | 123.6° | 126.2° |
C1' | N9 | C8 | 127.6° | 126.3° |
N9 | C1' | H15 | 108.6° | 110.6° |
O4' | C1' | H15 | 109.2° | 110.6° |
O2A | PA | O5' | 111.7° | 109.5° |
O2A | PA | O1A | 118.6° | 109.5° |
O2A | PA | O3A | 113.6° | 109.5° |
O4D | C4D | C3D | 107.1° | 109.5° |
O4D | C4D | C5D | 109.7° | 109.5° |
O4D | C4D | H4 | 109.5° | 109.5° |
C4D | O4D | H5 | 109.5° | 114.0° |
C2 | N3 | C4 | 121.9° | 120.6° |
N3 | C2 | N1 | 121.9° | 122.5° |
N3 | C2 | H23 | 119.0° | 118.7° |
N3 | C4 | N9 | 134.6° | 134.9° |
N3 | C4 | C5 | 118.9° | 119.1° |
C2 | N1 | C6 | 122.4° | 121.2° |
N1 | C2 | H23 | 119.0° | 118.8° |
C5' | O5' | PA | 123.0° | 123.0° |
O5' | C5' | H12 | 108.6° | 109.5° |
O5' | C5' | H13 | 108.7° | 109.5° |
C4 | N9 | C8 | 108.8° | 107.4° |
N9 | C4 | C5 | 106.5° | 106.0° |
N9 | C8 | N7 | 110.7° | 110.0° |
N9 | C8 | H20 | 124.6° | 125.0° |
C4 | C5 | C6 | 116.6° | 118.1° |
C4 | C5 | N7 | 106.7° | 107.1° |
O5' | PA | O1A | 105.4° | 109.4° |
O5' | PA | O3A | 99.8° | 109.5° |
O1A | PA | O3A | 105.8° | 109.5° |
PA | O1A | H1 | 109.5° | 114.0° |
PA | O3A | PB | 131.1° | 134.0° |
N1 | C6 | C5 | 118.2° | 118.4° |
N1 | C6 | N6 | 121.4° | 120.8° |
C3D | C4D | C5D | 114.2° | 109.5° |
C4D | C3D | O3D | 109.0° | 109.5° |
C4D | C3D | C2D | 113.1° | 109.5° |
C3D | C4D | H4 | 108.2° | 109.5° |
C4D | C3D | H6 | 107.2° | 109.4° |
C4D | C5D | O5D | 109.9° | 109.5° |
C4D | C5D | H2 | 109.3° | 109.4° |
C4D | C5D | H3 | 109.4° | 109.5° |
C5D | C4D | H4 | 108.1° | 109.4° |
C8 | N7 | C5 | 107.4° | 109.5° |
N7 | C8 | H20 | 124.6° | 125.0° |
O3D | C3D | C2D | 111.5° | 109.5° |
O3D | C3D | H6 | 108.4° | 109.5° |
C3D | O3D | H10 | 109.5° | 114.0° |
C3D | C2D | O2D | 119.2° | 120.0° |
C3D | C2D | C1D | 121.0° | 120.0° |
C2D | C3D | H6 | 107.4° | 109.5° |
C6 | C5 | N7 | 136.7° | 134.7° |
C5 | C6 | N6 | 120.4° | 120.8° |
C6 | N6 | H21 | 109.5° | 120.0° |
C6 | N6 | H22 | 109.4° | 120.0° |
C5D | O5D | PB | 124.9° | 123.0° |
O5D | C5D | H2 | 109.4° | 109.4° |
O5D | C5D | H3 | 109.3° | 109.5° |
O5D | PB | O3A | 105.5° | 109.5° |
O5D | PB | O1B | 108.1° | 109.5° |
O5D | PB | O2B | 112.4° | 109.4° |
O3A | PB | O1B | 109.1° | 109.5° |
O3A | PB | O2B | 104.1° | 109.5° |
O2D | C2D | C1D | 119.9° | 120.0° |
C2D | C1D | O1D | 115.5° | 109.5° |
C2D | C1D | H7 | 107.9° | 109.5° |
C2D | C1D | H8 | 107.9° | 109.5° |
O1B | PB | O2B | 117.0° | 109.5° |
PB | O2B | H11 | 109.5° | 114.0° |
O1D | C1D | H7 | 107.9° | 109.4° |
O1D | C1D | H8 | 107.9° | 109.5° |
C1D | O1D | H9 | 109.5° | 114.0° |
H2 | C5D | H3 | 109.5° | 109.5° |
H7 | C1D | H8 | 109.5° | 109.5° |
H12 | C5' | H13 | 109.5° | 109.5° |
H21 | N6 | H22 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3' | C3' | C2' | O2' | 19.9° | 20.4° |
O3' | C3' | C2' | C4' | 116.7° | 118.7° |
O3' | C3' | C2' | H18 | 124.8° | 122.7° |
O3' | C3' | C4' | H18 | 122.0° | 122.7° |
O3' | C3' | C2' | C1' | 100.6° | 97.8° |
O3' | C3' | C4' | C5' | 99.5° | 119.9° |
O3' | C3' | C4' | O4' | 132.5° | 120.6° |
O3' | C3' | C4' | H14 | 18.8° | 1.1° |
O3' | C3' | C2' | H16 | 144.2° | 144.0° |
O2' | C2' | C3' | C1' | 120.4° | 118.2° |
O2' | C2' | C3' | H16 | 124.3° | 123.6° |
O2' | C2' | C3' | C4' | 136.5° | 139.1° |
O2' | C2' | C1' | H16 | 123.0° | 123.6° |
O2' | C2' | C1' | N9 | 76.1° | 86.3° |
O2' | C2' | C1' | O4' | 161.8° | 155.2° |
O2' | C2' | C1' | H15 | 46.7° | 36.6° |
O2' | C2' | C3' | H18 | 104.9° | 102.2° |
C2' | C3' | C4' | H18 | 118.7° | 118.7° |
C3' | C2' | C1' | H16 | 115.2° | 118.2° |
C2' | C3' | C4' | C5' | 141.1° | 121.5° |
C2' | C3' | C4' | O4' | 13.2° | 2.0° |
C3' | C2' | C1' | N9 | 162.1° | 155.5° |
C3' | C2' | C1' | O4' | 40.1° | 37.0° |
C2' | C3' | C4' | H14 | 100.5° | 117.5° |
C3' | C2' | C1' | H15 | 75.0° | 81.6° |
C3' | C2' | O2' | H17 | 180.0° | 67.4° |
C2' | C3' | O3' | H19 | 180.0° | 61.5° |
C4' | C3' | C2' | C1' | 16.1° | 20.9° |
C3' | C4' | C5' | O4' | 121.9° | 117.9° |
C3' | C4' | C5' | H14 | 118.3° | 121.1° |
C3' | C4' | O4' | H14 | 112.8° | 119.5° |
C3' | C4' | O4' | C1' | 39.3° | 26.5° |
C3' | C4' | C5' | O5' | 56.1° | 175.7° |
C3' | C4' | C5' | H12 | 176.6° | 64.3° |
C3' | C4' | C5' | H13 | 64.3° | 55.7° |
C4' | C3' | C2' | H16 | 99.2° | 97.3° |
C4' | C3' | O3' | H19 | 65.0° | 176.2° |
C2' | C1' | O4' | C4' | 50.6° | 40.1° |
C2' | C1' | N9 | O4' | 117.0° | 114.1° |
C2' | C1' | N9 | H15 | 122.6° | 123.0° |
C2' | C1' | O4' | H15 | 114.3° | 118.6° |
C2' | C1' | N9 | C4 | 123.3° | 89.5° |
C2' | C1' | N9 | C8 | 57.7° | 90.2° |
C1' | C2' | O2' | H17 | 65.9° | 180.0° |
C1' | C2' | C3' | H18 | 134.7° | 139.6° |
C5' | C4' | O4' | H14 | 119.1° | 121.0° |
C5' | C4' | O4' | C1' | 167.4° | 145.9° |
C4' | C5' | O5' | H12 | 120.5° | 119.9° |
C4' | C5' | O5' | H13 | 120.5° | 120.0° |
C4' | C5' | O5' | PA | 155.3° | 180.0° |
C4' | C5' | H12 | H13 | 118.5° | 120.0° |
C5' | C4' | C3' | H18 | 22.5° | 2.8° |
C4' | O4' | C1' | N9 | 176.2° | 158.5° |
O4' | C4' | C5' | O5' | 65.8° | 66.4° |
O4' | C4' | C5' | H12 | 54.6° | 53.5° |
O4' | C4' | C5' | H13 | 173.7° | 173.5° |
C4' | O4' | C1' | H15 | 63.7° | 78.6° |
O4' | C4' | C3' | H18 | 105.5° | 116.7° |
N9 | C1' | O4' | H15 | 120.1° | 122.9° |
C1' | N9 | C4 | N3 | 1.2° | 0.1° |
C1' | N9 | C4 | C8 | 179.2° | 179.8° |
C1' | N9 | C4 | C5 | 179.3° | 179.9° |
C1' | N9 | C8 | N7 | 179.6° | 180.0° |
N9 | C1' | C2' | H16 | 46.9° | 37.3° |
C1' | N9 | C8 | H20 | 0.4° | 0.0° |
O4' | C1' | N9 | C4 | 119.7° | 156.5° |
O4' | C1' | N9 | C8 | 59.3° | 23.8° |
C1' | O4' | C4' | H14 | 73.5° | 93.0° |
O4' | C1' | C2' | H16 | 75.1° | 81.2° |
O2A | PA | O5' | C5' | 37.8° | 55.0° |
O2A | PA | O5' | O1A | 130.1° | 120.0° |
O2A | PA | O5' | O3A | 120.4° | 120.0° |
O2A | PA | O1A | O3A | 128.9° | 120.0° |
O2A | PA | O3A | PB | 29.5° | 45.0° |
O2A | PA | O1A | H1 | 0.0° | 180.0° |
O4D | C4D | C3D | C5D | 121.6° | 120.0° |
O4D | C4D | C3D | H4 | 117.9° | 120.0° |
O4D | C4D | C5D | H4 | 119.3° | 120.0° |
O4D | C4D | C3D | O3D | 69.9° | 180.0° |
O4D | C4D | C3D | C2D | 165.4° | 60.0° |
O4D | C4D | C5D | O5D | 60.2° | 64.9° |
O4D | C4D | C5D | H2 | 179.8° | 55.0° |
O4D | C4D | C5D | H3 | 59.9° | 175.0° |
O4D | C4D | C3D | H6 | 47.2° | 60.0° |
N3 | C2 | N1 | H23 | 180.0° | 179.3° |
C2 | N3 | C4 | N9 | 179.8° | 179.1° |
C2 | N3 | C4 | C5 | 0.4° | 0.8° |
N3 | C2 | N1 | C6 | 1.3° | 0.8° |
C4 | N3 | C2 | N1 | 0.7° | 1.1° |
N3 | C4 | N9 | C5 | 179.5° | 179.9° |
N3 | C4 | N9 | C8 | 179.6° | 179.7° |
N3 | C4 | C5 | C6 | 0.6° | 0.1° |
N3 | C4 | C5 | N7 | 179.4° | 179.7° |
C4 | N3 | C2 | H23 | 179.3° | 179.6° |
C2 | N1 | C6 | C5 | 1.5° | 0.1° |
C2 | N1 | C6 | N6 | 179.1° | 180.0° |
C5' | O5' | PA | O1A | 167.9° | 65.1° |
C5' | O5' | PA | O3A | 82.5° | 175.0° |
O5' | C5' | H12 | H13 | 118.5° | 120.1° |
O5' | C5' | C4' | H14 | 174.4° | 54.6° |
C4 | N9 | C8 | N7 | 0.5° | 0.2° |
N9 | C4 | C5 | C6 | 179.8° | 179.8° |
N9 | C4 | C5 | N7 | 0.2° | 0.4° |
C4 | N9 | C1' | H15 | 0.7° | 33.5° |
C4 | N9 | C8 | H20 | 179.6° | 179.8° |
C8 | N9 | C4 | C5 | 0.1° | 0.4° |
N9 | C8 | N7 | H20 | 180.0° | 180.0° |
N9 | C8 | N7 | C5 | 0.6° | 0.0° |
C8 | N9 | C1' | H15 | 179.7° | 146.8° |
C4 | C5 | C6 | N1 | 1.1° | 0.2° |
C4 | C5 | N7 | C8 | 0.5° | 0.2° |
C4 | C5 | C6 | N7 | 179.9° | 179.8° |
C4 | C5 | C6 | N6 | 179.4° | 179.7° |
O5' | PA | O1A | O3A | 105.2° | 120.0° |
O5' | PA | O3A | PB | 148.4° | 165.0° |
O5' | PA | O1A | H1 | 125.9° | 60.0° |
PA | O5' | C5' | H12 | 84.2° | 60.1° |
PA | O5' | C5' | H13 | 34.8° | 60.0° |
O1A | PA | O3A | PB | 102.4° | 75.0° |
PA | O3A | PB | O5D | 27.1° | 165.0° |
PA | O3A | PB | O1B | 88.9° | 45.0° |
PA | O3A | PB | O2B | 145.6° | 75.0° |
O3A | PA | O1A | H1 | 128.9° | 60.0° |
N1 | C6 | C5 | N6 | 179.5° | 179.9° |
N1 | C6 | C5 | N7 | 178.8° | 180.0° |
N1 | C6 | N6 | H21 | 0.0° | 180.0° |
N1 | C6 | N6 | H22 | 120.0° | 0.1° |
C6 | N1 | C2 | H23 | 178.7° | 180.0° |
C3D | C4D | C5D | H4 | 120.5° | 120.0° |
C4D | C3D | O3D | C2D | 125.7° | 120.0° |
C4D | C3D | O3D | H6 | 116.3° | 120.0° |
C4D | C3D | C2D | H6 | 118.1° | 120.0° |
C3D | C4D | C5D | O5D | 179.6° | 175.0° |
C4D | C3D | C2D | O2D | 53.3° | 100.0° |
C4D | C3D | C2D | C1D | 126.1° | 80.0° |
C3D | C4D | C5D | H2 | 59.5° | 65.1° |
C3D | C4D | C5D | H3 | 60.4° | 55.0° |
C3D | C4D | O4D | H5 | 180.0° | 60.0° |
C4D | C3D | O3D | H10 | 180.0° | 60.0° |
C5D | C4D | C3D | O3D | 51.8° | 60.0° |
C5D | C4D | C3D | C2D | 73.0° | 180.0° |
C4D | C5D | O5D | H2 | 120.1° | 119.9° |
C4D | C5D | O5D | H3 | 120.1° | 120.1° |
C4D | C5D | O5D | PB | 172.3° | 180.0° |
C4D | C5D | H2 | H3 | 119.8° | 120.0° |
C5D | C4D | O4D | H5 | 55.5° | 60.0° |
C5D | C4D | C3D | H6 | 168.9° | 60.0° |
C8 | N7 | C5 | C6 | 179.6° | 180.0° |
O3D | C3D | C2D | H6 | 118.6° | 120.0° |
O3D | C3D | C2D | O2D | 176.6° | 20.0° |
O3D | C3D | C2D | C1D | 2.8° | 160.0° |
O3D | C3D | C4D | H4 | 172.2° | 60.0° |
C3D | C2D | O2D | C1D | 179.4° | 179.9° |
C3D | C2D | C1D | O1D | 101.2° | 180.0° |
C2D | C3D | C4D | H4 | 47.5° | 60.0° |
C3D | C2D | C1D | H7 | 19.7° | 60.1° |
C3D | C2D | C1D | H8 | 138.0° | 60.0° |
C2D | C3D | O3D | H10 | 54.3° | 60.0° |
C5 | C6 | N6 | H21 | 179.5° | 0.1° |
C5 | C6 | N6 | H22 | 60.5° | 180.0° |
N7 | C5 | C6 | N6 | 0.6° | 0.1° |
C5 | N7 | C8 | H20 | 179.4° | 180.0° |
C6 | N6 | H21 | H22 | 120.0° | 180.0° |
C5D | O5D | PB | O3A | 73.1° | 175.0° |
C5D | O5D | PB | O1B | 170.3° | 54.9° |
C5D | O5D | PB | O2B | 39.7° | 65.0° |
O5D | C5D | H2 | H3 | 119.8° | 120.0° |
O5D | C5D | C4D | H4 | 59.1° | 55.1° |
O5D | PB | O3A | O1B | 115.9° | 120.0° |
O5D | PB | O3A | O2B | 118.5° | 120.0° |
O5D | PB | O1B | O2B | 128.0° | 120.0° |
PB | O5D | C5D | H2 | 67.6° | 60.1° |
PB | O5D | C5D | H3 | 52.2° | 59.9° |
O5D | PB | O2B | H11 | 125.9° | 60.0° |
O3A | PB | O1B | O2B | 117.8° | 120.0° |
O3A | PB | O2B | H11 | 120.4° | 59.9° |
O2D | C2D | C1D | O1D | 79.5° | 0.1° |
O2D | C2D | C3D | H6 | 64.8° | 140.0° |
O2D | C2D | C1D | H7 | 159.7° | 120.0° |
O2D | C2D | C1D | H8 | 41.4° | 120.0° |
C2D | C1D | O1D | H7 | 120.9° | 120.0° |
C2D | C1D | O1D | H8 | 120.9° | 120.1° |
C1D | C2D | C3D | H6 | 115.8° | 40.0° |
C2D | C1D | H7 | H8 | 117.2° | 120.1° |
C2D | C1D | O1D | H9 | 180.0° | 180.0° |
O1B | PB | O2B | H11 | 0.0° | 180.0° |
O1D | C1D | H7 | H8 | 117.2° | 120.0° |
H2 | C5D | C4D | H4 | 60.9° | 175.0° |
H3 | C5D | C4D | H4 | 179.2° | 65.0° |
H4 | C4D | O4D | H5 | 62.9° | 180.0° |
H4 | C4D | C3D | H6 | 70.7° | 180.0° |
H6 | C3D | O3D | H10 | 63.7° | 179.9° |
H7 | C1D | O1D | H9 | 59.1° | 60.0° |
H8 | C1D | O1D | H9 | 59.1° | 59.9° |
H12 | C5' | C4' | H14 | 65.1° | 174.6° |
H13 | C5' | C4' | H14 | 54.0° | 65.4° |
H14 | C4' | C3' | H18 | 140.8° | 123.8° |
H15 | C1' | C2' | H16 | 169.7° | 160.3° |
H16 | C2' | O2' | H17 | 56.4° | 56.3° |
H16 | C2' | C3' | H18 | 19.4° | 21.4° |
H18 | C3' | O3' | H19 | 56.1° | 61.1° |