4UO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N7 | C8 | doub | 1.30Å | 1.35Å | Aromatic |
N7 | C5 | sing | 1.35Å | 1.36Å | Aromatic |
C8 | N9 | sing | 1.36Å | 1.32Å | Aromatic |
O6 | C6 | doub | 1.22Å | 1.40Å | |
C5 | C6 | sing | 1.46Å | 1.43Å | |
C5 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
C6 | N1 | sing | 1.35Å | 1.31Å | |
N9 | C4 | sing | 1.36Å | 1.38Å | Aromatic |
N9 | C1' | sing | 1.47Å | 1.48Å | |
C4 | N3 | sing | 1.38Å | 1.36Å | |
C1' | C2' | sing | 1.55Å | 1.53Å | |
C1' | O4' | sing | 1.44Å | 1.42Å | |
O2' | C2' | sing | 1.43Å | 1.42Å | |
N1 | C2 | sing | 1.34Å | 1.33Å | |
C2' | C3' | sing | 1.55Å | 1.54Å | |
O4' | C4' | sing | 1.44Å | 1.45Å | |
N3 | C2 | sing | 1.34Å | 1.32Å | |
C2 | O2 | doub | 1.22Å | 1.38Å | |
C3' | C4' | sing | 1.54Å | 1.52Å | |
C3' | O3' | sing | 1.43Å | 1.42Å | |
C4' | C5' | sing | 1.53Å | 1.52Å | |
O5' | C5' | sing | 1.43Å | 1.42Å | |
N1 | H1 | sing | 0.97Å | 1.00Å | |
N3 | H2 | sing | 0.97Å | 1.00Å | |
C8 | H3 | sing | 1.08Å | 1.08Å | |
C1' | H4 | sing | 1.09Å | 1.10Å | |
C4' | H5 | sing | 1.09Å | 1.10Å | |
C5' | H6 | sing | 1.09Å | 1.10Å | |
C5' | H7 | sing | 1.09Å | 1.10Å | |
O5' | H8 | sing | 0.97Å | 0.95Å | |
C3' | H9 | sing | 1.09Å | 1.10Å | |
O3' | H10 | sing | 0.97Å | 0.95Å | |
C2' | H11 | sing | 1.09Å | 1.10Å | |
O2' | H12 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C8 | N7 | C5 | 106.4° | 109.1° |
N7 | C8 | N9 | 112.0° | 109.5° |
N7 | C8 | H3 | 124.0° | 125.2° |
N7 | C5 | C6 | 135.3° | 134.3° |
N7 | C5 | C4 | 107.8° | 107.4° |
C8 | N9 | C4 | 107.3° | 107.6° |
C8 | N9 | C1' | 124.9° | 126.2° |
N9 | C8 | H3 | 124.0° | 125.3° |
O6 | C6 | C5 | 123.1° | 120.7° |
O6 | C6 | N1 | 118.3° | 120.7° |
C6 | C5 | C4 | 116.9° | 118.3° |
C5 | C6 | N1 | 118.5° | 118.5° |
C5 | C4 | N9 | 106.4° | 106.4° |
C5 | C4 | N3 | 120.8° | 119.2° |
C6 | N1 | C2 | 122.5° | 120.9° |
C6 | N1 | H1 | 118.7° | 119.6° |
C4 | N9 | C1' | 127.6° | 126.2° |
N9 | C4 | N3 | 132.7° | 134.4° |
N9 | C1' | C2' | 114.6° | 110.6° |
N9 | C1' | O4' | 107.8° | 110.6° |
N9 | C1' | H4 | 108.8° | 110.6° |
C4 | N3 | C2 | 118.4° | 120.8° |
C4 | N3 | H2 | 120.8° | 119.6° |
C2' | C1' | O4' | 108.0° | 103.5° |
C1' | C2' | O2' | 107.6° | 110.9° |
C1' | C2' | C3' | 102.1° | 102.1° |
C2' | C1' | H4 | 108.1° | 110.6° |
C1' | C2' | H11 | 111.4° | 110.9° |
C1' | O4' | C4' | 109.8° | 106.9° |
O4' | C1' | H4 | 109.6° | 110.7° |
O2' | C2' | C3' | 110.6° | 110.9° |
O2' | C2' | H11 | 113.2° | 110.8° |
C2' | O2' | H12 | 109.5° | 114.1° |
N1 | C2 | N3 | 122.9° | 122.3° |
N1 | C2 | O2 | 116.2° | 118.9° |
C2 | N1 | H1 | 118.8° | 119.5° |
C2' | C3' | C4' | 103.4° | 104.2° |
C2' | C3' | O3' | 114.5° | 110.5° |
C2' | C3' | H9 | 108.1° | 110.6° |
C3' | C2' | H11 | 111.3° | 110.9° |
O4' | C4' | C3' | 103.6° | 107.3° |
O4' | C4' | C5' | 110.9° | 109.9° |
O4' | C4' | H5 | 109.6° | 109.8° |
N3 | C2 | O2 | 120.9° | 118.9° |
C2 | N3 | H2 | 120.8° | 119.6° |
C4' | C3' | O3' | 112.5° | 110.5° |
C3' | C4' | C5' | 115.1° | 109.9° |
C3' | C4' | H5 | 108.7° | 110.0° |
C4' | C3' | H9 | 108.3° | 110.5° |
O3' | C3' | H9 | 109.7° | 110.4° |
C3' | O3' | H10 | 109.5° | 114.0° |
C4' | C5' | O5' | 112.5° | 109.4° |
C5' | C4' | H5 | 108.7° | 109.9° |
C4' | C5' | H6 | 108.7° | 109.5° |
C4' | C5' | H7 | 108.7° | 109.5° |
O5' | C5' | H6 | 108.7° | 109.5° |
O5' | C5' | H7 | 108.7° | 109.5° |
C5' | O5' | H8 | 109.5° | 114.0° |
H6 | C5' | H7 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N7 | C8 | N9 | H3 | 180.0° | 179.4° |
C8 | N7 | C5 | C6 | 179.9° | 180.0° |
C8 | N7 | C5 | C4 | 0.0° | 0.3° |
N7 | C8 | N9 | C4 | 0.4° | 0.6° |
N7 | C8 | N9 | C1' | 176.1° | 179.9° |
C5 | N7 | C8 | N9 | 0.2° | 0.6° |
N7 | C5 | C6 | O6 | 2.2° | 0.0° |
N7 | C5 | C6 | C4 | 179.8° | 179.7° |
N7 | C5 | C6 | N1 | 179.8° | 179.7° |
N7 | C5 | C4 | N9 | 0.3° | 0.1° |
N7 | C5 | C4 | N3 | 179.0° | 179.6° |
C5 | N7 | C8 | H3 | 179.8° | 179.9° |
C8 | N9 | C4 | C5 | 0.4° | 0.4° |
C8 | N9 | C4 | C1' | 175.5° | 179.4° |
C8 | N9 | C4 | N3 | 178.9° | 179.2° |
C8 | N9 | C1' | C2' | 134.6° | 95.0° |
C8 | N9 | C1' | O4' | 105.2° | 19.1° |
C8 | N9 | C1' | H4 | 13.6° | 142.1° |
O6 | C6 | C5 | N1 | 177.6° | 179.7° |
O6 | C6 | C5 | C4 | 178.0° | 179.8° |
O6 | C6 | N1 | C2 | 177.7° | 179.9° |
O6 | C6 | N1 | H1 | 2.3° | 0.1° |
C6 | C5 | C4 | N9 | 179.9° | 179.7° |
C6 | C5 | C4 | N3 | 1.1° | 0.6° |
C5 | C6 | N1 | C2 | 0.0° | 0.2° |
C5 | C6 | N1 | H1 | 180.0° | 179.7° |
C4 | C5 | C6 | N1 | 0.4° | 0.6° |
C5 | C4 | N9 | N3 | 178.5° | 179.6° |
C5 | C4 | N9 | C1' | 176.0° | 179.9° |
C5 | C4 | N3 | C2 | 1.4° | 0.4° |
C5 | C4 | N3 | H2 | 178.6° | 179.8° |
C6 | N1 | C2 | H1 | 180.0° | 180.0° |
C6 | N1 | C2 | N3 | 0.3° | 0.0° |
C6 | N1 | C2 | O2 | 179.7° | 180.0° |
C4 | N9 | C1' | C2' | 50.5° | 84.3° |
C4 | N9 | C1' | O4' | 69.6° | 161.6° |
N9 | C4 | N3 | C2 | 179.7° | 180.0° |
N9 | C4 | N3 | H2 | 0.3° | 0.1° |
C4 | N9 | C8 | H3 | 179.6° | 180.0° |
C4 | N9 | C1' | H4 | 171.6° | 38.6° |
C1' | N9 | C4 | N3 | 5.5° | 0.2° |
N9 | C1' | C2' | O4' | 120.1° | 118.5° |
N9 | C1' | C2' | H4 | 121.5° | 122.9° |
N9 | C1' | O4' | H4 | 118.2° | 122.9° |
N9 | C1' | C2' | O2' | 139.1° | 86.3° |
N9 | C1' | C2' | C3' | 104.4° | 155.5° |
N9 | C1' | O4' | C4' | 131.4° | 158.5° |
C1' | N9 | C8 | H3 | 3.9° | 0.6° |
N9 | C1' | C2' | H11 | 14.5° | 37.3° |
C4 | N3 | C2 | N1 | 1.0° | 0.0° |
C4 | N3 | C2 | H2 | 180.0° | 179.9° |
C4 | N3 | C2 | O2 | 179.0° | 180.0° |
C2' | C1' | O4' | H4 | 117.5° | 118.5° |
C1' | C2' | O2' | C3' | 110.8° | 112.8° |
C1' | C2' | O2' | H11 | 123.5° | 123.6° |
C1' | C2' | C3' | H11 | 119.0° | 118.2° |
C2' | C1' | O4' | C4' | 7.1° | 40.0° |
C1' | C2' | C3' | C4' | 31.4° | 20.9° |
C1' | C2' | C3' | O3' | 154.1° | 97.8° |
C1' | C2' | C3' | H9 | 83.3° | 139.6° |
C1' | C2' | O2' | H12 | 180.0° | 180.0° |
O4' | C1' | C2' | O2' | 100.8° | 155.3° |
O4' | C1' | C2' | C3' | 15.7° | 37.0° |
C1' | O4' | C4' | C3' | 27.3° | 26.5° |
C1' | O4' | C4' | C5' | 151.3° | 145.9° |
C1' | O4' | C4' | H5 | 88.6° | 93.1° |
O4' | C1' | C2' | H11 | 134.6° | 81.2° |
O2' | C2' | C3' | H11 | 126.7° | 123.6° |
O2' | C2' | C3' | C4' | 82.9° | 139.1° |
O2' | C2' | C3' | O3' | 39.8° | 20.4° |
O2' | C2' | C1' | H4 | 17.7° | 36.6° |
O2' | C2' | C3' | H9 | 162.3° | 102.1° |
N1 | C2 | N3 | O2 | 180.0° | 180.0° |
N1 | C2 | N3 | H2 | 179.0° | 179.9° |
C2' | C3' | C4' | O4' | 36.2° | 2.0° |
C2' | C3' | C4' | O3' | 124.1° | 118.7° |
C2' | C3' | C4' | H9 | 114.5° | 118.9° |
C2' | C3' | O3' | H9 | 121.7° | 122.7° |
C2' | C3' | C4' | C5' | 157.5° | 121.5° |
C3' | C2' | C1' | H4 | 134.1° | 81.6° |
C2' | C3' | C4' | H5 | 80.3° | 117.4° |
C2' | C3' | O3' | H10 | 180.0° | 176.2° |
C3' | C2' | O2' | H12 | 69.2° | 67.3° |
O4' | C4' | C3' | C5' | 121.3° | 119.4° |
O4' | C4' | C3' | H5 | 116.5° | 119.5° |
O4' | C4' | C3' | O3' | 160.3° | 120.7° |
O4' | C4' | C5' | H5 | 120.6° | 121.0° |
O4' | C4' | C5' | O5' | 45.2° | 66.4° |
C4' | O4' | C1' | H4 | 110.4° | 78.5° |
O4' | C4' | C5' | H6 | 165.7° | 173.6° |
O4' | C4' | C5' | H7 | 75.2° | 53.5° |
O4' | C4' | C3' | H9 | 78.3° | 116.8° |
N3 | C2 | N1 | H1 | 179.7° | 180.0° |
O2 | C2 | N1 | H1 | 0.3° | 0.0° |
O2 | C2 | N3 | H2 | 1.0° | 0.1° |
C4' | C3' | O3' | H9 | 120.7° | 122.5° |
C3' | C4' | C5' | H5 | 122.2° | 121.2° |
C3' | C4' | C5' | O5' | 162.4° | 175.7° |
C3' | C4' | C5' | H6 | 77.1° | 55.7° |
C3' | C4' | C5' | H7 | 42.0° | 64.3° |
C4' | C3' | O3' | H10 | 62.4° | 61.4° |
C4' | C3' | C2' | H11 | 150.3° | 97.3° |
O3' | C3' | C4' | C5' | 78.4° | 119.8° |
O3' | C3' | C4' | H5 | 43.8° | 1.3° |
O3' | C3' | C2' | H11 | 86.9° | 144.0° |
C4' | C5' | O5' | H6 | 120.5° | 120.0° |
C4' | C5' | O5' | H7 | 120.4° | 120.0° |
C4' | C5' | H6 | H7 | 118.6° | 120.0° |
C4' | C5' | O5' | H8 | 180.0° | 180.0° |
C5' | C4' | C3' | H9 | 43.0° | 2.6° |
O5' | C5' | C4' | H5 | 75.4° | 54.5° |
O5' | C5' | H6 | H7 | 118.6° | 120.0° |
H4 | C1' | C2' | H11 | 107.0° | 160.2° |
H5 | C4' | C5' | H6 | 45.1° | 65.5° |
H5 | C4' | C5' | H7 | 164.2° | 174.5° |
H5 | C4' | C3' | H9 | 165.2° | 123.7° |
H6 | C5' | O5' | H8 | 59.5° | 60.1° |
H7 | C5' | O5' | H8 | 59.6° | 60.0° |
H9 | C3' | O3' | H10 | 58.3° | 61.1° |
H9 | C3' | C2' | H11 | 35.6° | 21.5° |
H11 | C2' | O2' | H12 | 56.5° | 56.4° |