KL2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3V | V | sing | 1.84Å | 2.10Å | |
C5' | C4' | sing | 1.53Å | 1.53Å | |
C5' | O5' | sing | 1.43Å | 1.43Å | |
C4' | O4' | sing | 1.44Å | 1.44Å | |
C4' | C3' | sing | 1.54Å | 1.52Å | |
O4' | C1' | sing | 1.44Å | 1.44Å | |
V | O1V | sing | 1.84Å | 2.10Å | |
V | O2' | sing | 1.84Å | 1.99Å | |
V | O3' | sing | 1.84Å | 2.00Å | |
V | O2V | sing | 1.84Å | 1.97Å | |
O2' | C2' | sing | 1.43Å | 1.42Å | |
O3' | C3' | sing | 1.43Å | 1.43Å | |
C1' | C2' | sing | 1.54Å | 1.52Å | |
C1' | N9 | sing | 1.46Å | 1.49Å | |
C3' | C2' | sing | 1.54Å | 1.52Å | |
N9 | C8 | sing | 1.36Å | 1.33Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.34Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.35Å | Aromatic |
C4 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
C4 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
N3 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
N7 | C5 | sing | 1.35Å | 1.34Å | Aromatic |
C5 | C6 | doub | 1.41Å | 1.39Å | Aromatic |
C2 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
C6 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.35Å | |
O2V | H1 | sing | 0.97Å | 0.95Å | |
O1V | HOV1 | sing | 0.97Å | 0.95Å | |
O3V | HOV3 | sing | 0.97Å | 0.95Å | |
C3' | H3' | sing | 1.08Å | 1.10Å | |
C2' | H2' | sing | 1.08Å | 1.10Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
C5' | H5'1 | sing | 1.09Å | 1.10Å | |
C5' | H5'2 | sing | 1.09Å | 1.10Å | |
O5' | HO5' | sing | 0.97Å | 0.95Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.08Å | 1.08Å | |
N6 | HN6A | sing | 0.97Å | 1.00Å | |
N6 | HN6 | sing | 0.97Å | 1.00Å | |
C8 | H8 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3V | V | O1V | 93.3° | 91.2° |
O3V | V | O2' | 89.6° | 91.2° |
O3V | V | O3' | 119.4° | 120.0° |
O3V | V | O2V | 120.5° | 120.0° |
V | O3V | HOV3 | 109.5° | 114.0° |
C4' | C5' | O5' | 110.3° | 109.4° |
C5' | C4' | O4' | 113.3° | 110.2° |
C5' | C4' | C3' | 111.6° | 110.1° |
C5' | C4' | H4' | 108.6° | 110.4° |
C4' | C5' | H5'1 | 109.3° | 109.5° |
C4' | C5' | H5'2 | 109.3° | 109.4° |
O5' | C5' | H5'1 | 109.3° | 109.5° |
O5' | C5' | H5'2 | 109.3° | 109.4° |
C5' | O5' | HO5' | 109.5° | 114.0° |
O4' | C4' | C3' | 104.9° | 105.2° |
C4' | O4' | C1' | 110.4° | 105.7° |
O4' | C4' | H4' | 109.7° | 110.4° |
C4' | C3' | O3' | 114.6° | 109.7° |
C4' | C3' | C2' | 101.9° | 104.2° |
C4' | C3' | H3' | 109.1° | 111.1° |
C3' | C4' | H4' | 108.7° | 110.5° |
O4' | C1' | C2' | 105.6° | 105.1° |
O4' | C1' | N9 | 112.9° | 110.1° |
O4' | C1' | H1' | 110.2° | 110.4° |
O1V | V | O2' | 175.5° | 175.4° |
O1V | V | O3' | 93.6° | 91.2° |
O1V | V | O2V | 91.3° | 91.1° |
V | O1V | HOV1 | 109.5° | 114.0° |
O2' | V | O3' | 81.9° | 84.2° |
O2' | V | O2V | 90.3° | 91.2° |
V | O2' | C2' | 110.1° | 106.7° |
O3' | V | O2V | 119.4° | 119.9° |
V | O3' | C3' | 113.1° | 106.6° |
V | O2V | H1 | 109.5° | 114.0° |
O2' | C2' | C1' | 111.9° | 109.7° |
O2' | C2' | C3' | 108.8° | 109.1° |
O2' | C2' | H2' | 111.2° | 111.2° |
O3' | C3' | C2' | 111.3° | 109.1° |
O3' | C3' | H3' | 110.3° | 111.3° |
C2' | C1' | N9 | 109.5° | 110.2° |
C1' | C2' | C3' | 105.2° | 104.3° |
C1' | C2' | H2' | 109.8° | 111.1° |
C2' | C1' | H1' | 109.1° | 110.4° |
C1' | N9 | C8 | 125.7° | 126.3° |
C1' | N9 | C4 | 127.1° | 126.3° |
N9 | C1' | H1' | 109.5° | 110.4° |
C2' | C3' | H3' | 109.1° | 111.2° |
C3' | C2' | H2' | 109.8° | 111.1° |
C8 | N9 | C4 | 107.2° | 107.4° |
N9 | C8 | N7 | 110.6° | 110.0° |
N9 | C8 | H8 | 124.7° | 125.0° |
N9 | C4 | N3 | 132.9° | 134.9° |
N9 | C4 | C5 | 107.8° | 106.0° |
C8 | N7 | C5 | 106.8° | 109.4° |
N7 | C8 | H8 | 124.7° | 125.0° |
N3 | C4 | C5 | 119.3° | 119.1° |
C4 | N3 | C2 | 120.1° | 120.6° |
C4 | C5 | N7 | 107.6° | 107.2° |
C4 | C5 | C6 | 119.5° | 118.2° |
N3 | C2 | N1 | 121.5° | 122.5° |
N3 | C2 | H2 | 119.2° | 118.7° |
N7 | C5 | C6 | 132.9° | 134.6° |
C5 | C6 | N1 | 118.9° | 118.4° |
C5 | C6 | N6 | 120.6° | 120.8° |
C2 | N1 | C6 | 120.7° | 121.2° |
N1 | C2 | H2 | 119.3° | 118.8° |
N1 | C6 | N6 | 120.5° | 120.8° |
C6 | N6 | HN6A | 109.5° | 120.0° |
C6 | N6 | HN6 | 109.5° | 119.9° |
H5'1 | C5' | H5'2 | 109.4° | 109.5° |
HN6A | N6 | HN6 | 109.4° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3V | V | O1V | O2' | 128.9° | 120.4° |
O3V | V | O1V | O3' | 119.8° | 120.0° |
O3V | V | O1V | O2V | 120.6° | 120.0° |
O3V | V | O2' | O3' | 119.8° | 120.0° |
O3V | V | O2' | O2V | 120.5° | 120.0° |
O3V | V | O3' | O2V | 170.6° | 176.0° |
O3V | V | O2' | C2' | 149.3° | 163.1° |
O3V | V | O3' | C3' | 94.8° | 131.2° |
O3V | V | O2V | H1 | 180.0° | 92.0° |
O3V | V | O1V | HOV1 | 180.0° | 60.0° |
C4' | C5' | O5' | H5'1 | 120.1° | 120.0° |
C4' | C5' | O5' | H5'2 | 120.2° | 119.9° |
C5' | C4' | O4' | C3' | 122.0° | 118.7° |
C5' | C4' | O4' | H4' | 121.5° | 122.2° |
C5' | C4' | C3' | H4' | 119.7° | 122.2° |
C5' | C4' | O4' | C1' | 146.2° | 157.3° |
C5' | C4' | C3' | O3' | 82.7° | 101.8° |
C5' | C4' | C3' | C2' | 156.9° | 141.5° |
C5' | C4' | C3' | H3' | 41.6° | 21.6° |
C4' | C5' | H5'1 | H5'2 | 119.6° | 120.0° |
C4' | C5' | O5' | HO5' | 180.0° | 180.0° |
O5' | C5' | C4' | O4' | 51.1° | 66.4° |
O5' | C5' | C4' | C3' | 67.1° | 178.0° |
O5' | C5' | C4' | H4' | 173.2° | 55.8° |
O5' | C5' | H5'1 | H5'2 | 119.6° | 120.0° |
O4' | C4' | C3' | H4' | 117.2° | 119.1° |
O4' | C4' | C3' | O3' | 154.2° | 139.5° |
C4' | O4' | C1' | C2' | 4.0° | 38.6° |
C4' | O4' | C1' | N9 | 123.5° | 157.3° |
O4' | C4' | C3' | C2' | 33.8° | 22.9° |
O4' | C4' | C3' | H3' | 81.5° | 97.0° |
O4' | C4' | C5' | H5'1 | 69.0° | 173.5° |
O4' | C4' | C5' | H5'2 | 171.2° | 53.5° |
C4' | O4' | C1' | H1' | 113.7° | 80.5° |
C3' | C4' | O4' | C1' | 24.2° | 38.6° |
C4' | C3' | O3' | V | 104.8° | 146.2° |
C4' | C3' | C2' | O2' | 88.7° | 117.2° |
C4' | C3' | O3' | C2' | 115.0° | 113.6° |
C4' | C3' | O3' | H3' | 123.6° | 123.3° |
C4' | C3' | C2' | C1' | 31.4° | 0.1° |
C4' | C3' | C2' | H3' | 115.3° | 119.8° |
C4' | C3' | C2' | H2' | 149.4° | 119.8° |
C3' | C4' | C5' | H5'1 | 172.8° | 58.0° |
C3' | C4' | C5' | H5'2 | 53.1° | 62.1° |
O4' | C1' | C2' | O2' | 100.2° | 139.7° |
O4' | C1' | C2' | N9 | 121.8° | 118.6° |
O4' | C1' | C2' | H1' | 118.4° | 119.1° |
O4' | C1' | N9 | H1' | 123.1° | 122.2° |
O4' | C1' | C2' | C3' | 17.8° | 22.9° |
O4' | C1' | N9 | C8 | 5.2° | 23.5° |
O4' | C1' | N9 | C4 | 175.1° | 156.5° |
O4' | C1' | C2' | H2' | 135.8° | 96.9° |
C1' | O4' | C4' | H4' | 92.4° | 80.5° |
O1V | V | O2' | O3' | 9.2° | 0.4° |
O1V | V | O2' | O2V | 110.5° | 119.5° |
O1V | V | O3' | O2V | 93.5° | 92.0° |
O1V | V | O2' | C2' | 20.3° | 42.7° |
O1V | V | O3' | C3' | 169.4° | 136.8° |
O1V | V | O2V | H1 | 85.4° | 0.0° |
O1V | V | O3V | HOV3 | 180.0° | 0.1° |
O2' | V | O3' | O2V | 85.8° | 88.0° |
O2' | V | O3' | C3' | 9.9° | 43.2° |
V | O2' | C2' | C1' | 157.8° | 146.1° |
V | O2' | C2' | C3' | 41.9° | 32.4° |
O2' | V | O2V | H1 | 90.3° | 176.0° |
O2' | V | O1V | HOV1 | 51.1° | 179.6° |
O2' | V | O3V | HOV3 | 3.5° | 175.9° |
V | O2' | C2' | H2' | 79.1° | 90.5° |
O3' | V | O2' | C2' | 29.5° | 43.1° |
V | O3' | C3' | C2' | 10.2° | 32.6° |
O3' | V | O2V | H1 | 9.4° | 92.1° |
O3' | V | O1V | HOV1 | 60.2° | 180.0° |
O3' | V | O3V | HOV3 | 84.0° | 92.0° |
V | O3' | C3' | H3' | 131.6° | 90.5° |
O2V | V | O2' | C2' | 90.2° | 76.8° |
O2V | V | O3' | C3' | 75.8° | 44.8° |
O2V | V | O1V | HOV1 | 59.4° | 60.1° |
O2V | V | O3V | HOV3 | 86.6° | 92.1° |
O2' | C2' | C3' | O3' | 34.0° | 0.1° |
O2' | C2' | C1' | C3' | 118.0° | 116.7° |
O2' | C2' | C1' | H2' | 124.0° | 123.4° |
O2' | C2' | C1' | N9 | 138.0° | 101.7° |
O2' | C2' | C3' | H2' | 121.9° | 123.0° |
O2' | C2' | C3' | H3' | 156.0° | 123.0° |
O2' | C2' | C1' | H1' | 18.2° | 20.6° |
O3' | C3' | C2' | C1' | 154.0° | 117.0° |
O3' | C3' | C2' | H3' | 122.0° | 123.1° |
O3' | C3' | C2' | H2' | 87.9° | 123.1° |
O3' | C3' | C4' | H4' | 37.0° | 20.4° |
C2' | C1' | N9 | H1' | 119.6° | 122.3° |
C1' | C2' | C3' | H2' | 118.0° | 119.8° |
C2' | C1' | N9 | C8 | 122.5° | 92.0° |
C2' | C1' | N9 | C4 | 57.8° | 88.0° |
C1' | C2' | C3' | H3' | 83.9° | 119.8° |
N9 | C1' | C2' | C3' | 104.0° | 141.6° |
C1' | N9 | C8 | C4 | 179.8° | 180.0° |
C1' | N9 | C8 | N7 | 180.0° | 180.0° |
C1' | N9 | C4 | N3 | 0.4° | 0.1° |
C1' | N9 | C4 | C5 | 179.9° | 180.0° |
N9 | C1' | C2' | H2' | 14.0° | 21.7° |
C1' | N9 | C8 | H8 | 0.0° | 0.0° |
C2' | C3' | C4' | H4' | 83.4° | 96.3° |
C3' | C2' | C1' | H1' | 136.2° | 96.2° |
N9 | C8 | N7 | H8 | 180.0° | 180.0° |
C8 | N9 | C4 | N3 | 179.9° | 179.9° |
C8 | N9 | C4 | C5 | 0.1° | 0.1° |
N9 | C8 | N7 | C5 | 0.3° | 0.0° |
C8 | N9 | C1' | H1' | 117.9° | 145.7° |
C4 | N9 | C8 | N7 | 0.3° | 0.0° |
N9 | C4 | N3 | C5 | 179.7° | 179.8° |
N9 | C4 | N3 | C2 | 179.7° | 179.9° |
N9 | C4 | C5 | N7 | 0.0° | 0.1° |
N9 | C4 | C5 | C6 | 179.9° | 180.0° |
C4 | N9 | C1' | H1' | 61.8° | 34.3° |
C4 | N9 | C8 | H8 | 179.7° | 180.0° |
C8 | N7 | C5 | C4 | 0.2° | 0.0° |
C8 | N7 | C5 | C6 | 179.9° | 180.0° |
N3 | C4 | C5 | N7 | 179.7° | 179.9° |
N3 | C4 | C5 | C6 | 0.2° | 0.1° |
C4 | N3 | C2 | N1 | 0.3° | 0.1° |
C4 | N3 | C2 | H2 | 179.7° | 180.0° |
C5 | C4 | N3 | C2 | 0.0° | 0.1° |
C4 | C5 | N7 | C6 | 179.9° | 180.0° |
C4 | C5 | C6 | N1 | 0.1° | 0.1° |
C4 | C5 | C6 | N6 | 180.0° | 179.9° |
N3 | C2 | N1 | H2 | 180.0° | 179.9° |
N3 | C2 | N1 | C6 | 0.3° | 0.1° |
N7 | C5 | C6 | N1 | 179.7° | 180.0° |
N7 | C5 | C6 | N6 | 0.1° | 0.0° |
C5 | N7 | C8 | H8 | 179.7° | 180.0° |
C5 | C6 | N1 | C2 | 0.1° | 0.1° |
C5 | C6 | N1 | N6 | 179.9° | 180.0° |
C5 | C6 | N6 | HN6A | 179.9° | 0.1° |
C5 | C6 | N6 | HN6 | 60.1° | 180.0° |
C2 | N1 | C6 | N6 | 179.8° | 180.0° |
C6 | N1 | C2 | H2 | 179.7° | 180.0° |
N1 | C6 | N6 | HN6A | 0.0° | 180.0° |
N1 | C6 | N6 | HN6 | 120.0° | 0.0° |
C6 | N6 | HN6A | HN6 | 120.0° | 179.9° |
H3' | C3' | C2' | H2' | 34.1° | 0.0° |
H3' | C3' | C4' | H4' | 161.2° | 143.8° |
H2' | C2' | C1' | H1' | 105.8° | 144.0° |
H4' | C4' | C5' | H5'1 | 53.0° | 64.3° |
H4' | C4' | C5' | H5'2 | 66.7° | 175.7° |
H5'1 | C5' | O5' | HO5' | 59.9° | 59.9° |
H5'2 | C5' | O5' | HO5' | 59.8° | 60.1° |