ZAS
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N53 | N52 | doub | 1.12Å | 1.26Å | |
N6 | C6 | sing | 1.38Å | 1.30Å | |
N52 | N51 | doub | 1.12Å | 1.25Å | |
C6 | N1 | doub | 1.33Å | 1.31Å | Aromatic |
C6 | C5 | sing | 1.41Å | 1.37Å | Aromatic |
N1 | C2 | sing | 1.32Å | 1.29Å | Aromatic |
N51 | C5' | sing | 1.47Å | 1.43Å | |
N7 | C5 | sing | 1.35Å | 1.31Å | Aromatic |
N7 | C8 | doub | 1.30Å | 1.31Å | Aromatic |
C5 | C4 | doub | 1.40Å | 1.36Å | Aromatic |
C8 | N9 | sing | 1.36Å | 1.31Å | Aromatic |
C2 | N3 | doub | 1.32Å | 1.29Å | Aromatic |
C4 | N3 | sing | 1.33Å | 1.30Å | Aromatic |
C4 | N9 | sing | 1.37Å | 1.28Å | Aromatic |
O4' | C4' | sing | 1.44Å | 1.35Å | |
O4' | C1' | sing | 1.44Å | 1.39Å | |
N9 | C1' | sing | 1.46Å | 1.44Å | |
C5' | C4' | sing | 1.53Å | 1.45Å | |
C4' | C3' | sing | 1.54Å | 1.51Å | |
C1' | C2' | sing | 1.55Å | 1.51Å | |
C2' | C3' | sing | 1.54Å | 1.50Å | |
C2' | O2' | sing | 1.43Å | 1.39Å | |
C3' | O3' | sing | 1.43Å | 1.39Å | |
C5' | H5' | sing | 1.09Å | 1.10Å | |
C5' | H5'' | sing | 1.09Å | 1.10Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
O2' | HO8' | sing | 0.97Å | 0.95Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C2 | H2 | sing | 1.08Å | 1.08Å | |
N6 | H61 | sing | 0.97Å | 1.00Å | |
N6 | H62 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N53 | N52 | N51 | 179.0° | 179.9° |
N6 | C6 | N1 | 118.4° | 120.8° |
N6 | C6 | C5 | 123.9° | 120.7° |
C6 | N6 | H61 | 109.5° | 120.0° |
C6 | N6 | H62 | 109.5° | 120.0° |
N52 | N51 | C5' | 115.2° | 120.0° |
N1 | C6 | C5 | 117.7° | 118.5° |
C6 | N1 | C2 | 121.8° | 121.2° |
C6 | C5 | N7 | 135.3° | 134.7° |
C6 | C5 | C4 | 118.2° | 118.2° |
N1 | C2 | N3 | 122.3° | 122.4° |
N1 | C2 | H2 | 118.9° | 118.8° |
N51 | C5' | C4' | 111.0° | 109.5° |
N51 | C5' | H5' | 109.1° | 109.4° |
N51 | C5' | H5'' | 109.1° | 109.5° |
C5 | N7 | C8 | 108.3° | 109.4° |
N7 | C5 | C4 | 106.6° | 107.1° |
N7 | C8 | N9 | 108.7° | 110.0° |
N7 | C8 | H8 | 125.7° | 125.0° |
C5 | C4 | N3 | 120.9° | 119.1° |
C5 | C4 | N9 | 108.0° | 106.0° |
C8 | N9 | C4 | 108.4° | 107.4° |
C8 | N9 | C1' | 129.2° | 126.3° |
N9 | C8 | H8 | 125.6° | 125.0° |
C2 | N3 | C4 | 119.2° | 120.7° |
N3 | C2 | H2 | 118.9° | 118.8° |
N3 | C4 | N9 | 131.1° | 134.9° |
C4 | N9 | C1' | 122.4° | 126.3° |
C4' | O4' | C1' | 107.0° | 105.3° |
O4' | C4' | C5' | 111.9° | 110.4° |
O4' | C4' | C3' | 105.0° | 104.8° |
O4' | C4' | H4' | 116.4° | 110.4° |
O4' | C1' | N9 | 109.5° | 110.4° |
O4' | C1' | C2' | 99.3° | 104.7° |
O4' | C1' | H1' | 111.6° | 110.4° |
N9 | C1' | C2' | 115.2° | 110.4° |
N9 | C1' | H1' | 110.9° | 110.5° |
C5' | C4' | C3' | 92.9° | 110.4° |
C4' | C5' | H5' | 109.1° | 109.4° |
C4' | C5' | H5'' | 109.1° | 109.5° |
C5' | C4' | H4' | 114.5° | 110.3° |
C4' | C3' | C2' | 103.1° | 104.1° |
C4' | C3' | O3' | 103.7° | 110.6° |
C3' | C4' | H4' | 113.4° | 110.4° |
C4' | C3' | H3' | 112.5° | 110.5° |
C1' | C2' | C3' | 96.4° | 104.1° |
C1' | C2' | O2' | 108.6° | 110.5° |
C1' | C2' | H2' | 113.0° | 110.6° |
C2' | C1' | H1' | 109.9° | 110.3° |
C3' | C2' | O2' | 108.7° | 110.5° |
C2' | C3' | O3' | 109.3° | 110.5° |
C2' | C3' | H3' | 112.7° | 110.6° |
C3' | C2' | H2' | 113.2° | 110.6° |
O2' | C2' | H2' | 115.2° | 110.4° |
C2' | O2' | HO8' | 109.5° | 114.0° |
O3' | C3' | H3' | 114.5° | 110.4° |
C3' | O3' | HO3' | 109.5° | 114.0° |
H5' | C5' | H5'' | 109.5° | 109.5° |
H61 | N6 | H62 | 109.4° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N53 | N52 | N51 | C5' | 66.2° | 144.5° |
N6 | C6 | N1 | C5 | 179.2° | 179.6° |
N6 | C6 | N1 | C2 | 179.0° | 180.0° |
N6 | C6 | C5 | N7 | 1.0° | 0.3° |
N6 | C6 | C5 | C4 | 179.4° | 179.9° |
C6 | N6 | H61 | H62 | 120.0° | 180.0° |
N52 | N51 | C5' | C4' | 116.4° | 120.0° |
N52 | N51 | C5' | H5' | 123.4° | 120.0° |
N52 | N51 | C5' | H5'' | 3.8° | 0.0° |
N1 | C6 | C5 | N7 | 179.8° | 179.9° |
N1 | C6 | C5 | C4 | 0.2° | 0.4° |
C6 | N1 | C2 | N3 | 0.5° | 0.2° |
C6 | N1 | C2 | H2 | 179.5° | 179.8° |
N1 | C6 | N6 | H61 | 0.0° | 0.0° |
N1 | C6 | N6 | H62 | 120.0° | 180.0° |
C5 | C6 | N1 | C2 | 0.2° | 0.4° |
C6 | C5 | N7 | C4 | 179.6° | 179.7° |
C6 | C5 | N7 | C8 | 179.2° | 180.0° |
C6 | C5 | C4 | N3 | 0.3° | 0.2° |
C6 | C5 | C4 | N9 | 179.0° | 179.8° |
C5 | C6 | N6 | H61 | 179.2° | 179.6° |
C5 | C6 | N6 | H62 | 60.8° | 0.4° |
N1 | C2 | N3 | H2 | 180.0° | 179.9° |
N1 | C2 | N3 | C4 | 0.4° | 0.1° |
N51 | C5' | C4' | O4' | 25.0° | 69.6° |
N51 | C5' | C4' | H5' | 120.2° | 120.0° |
N51 | C5' | C4' | H5'' | 120.2° | 120.0° |
N51 | C5' | C4' | C3' | 132.4° | 175.0° |
N51 | C5' | H5' | H5'' | 119.3° | 120.0° |
N51 | C5' | C4' | H4' | 110.2° | 52.7° |
C5 | N7 | C8 | N9 | 0.0° | 0.0° |
N7 | C5 | C4 | N3 | 180.0° | 179.9° |
N7 | C5 | C4 | N9 | 0.7° | 0.4° |
C5 | N7 | C8 | H8 | 180.0° | 180.0° |
C8 | N7 | C5 | C4 | 0.4° | 0.2° |
N7 | C8 | N9 | H8 | 180.0° | 180.0° |
N7 | C8 | N9 | C4 | 0.4° | 0.2° |
N7 | C8 | N9 | C1' | 179.8° | 180.0° |
C5 | C4 | N9 | C8 | 0.7° | 0.4° |
C5 | C4 | N3 | C2 | 0.0° | 0.0° |
C5 | C4 | N3 | N9 | 179.2° | 179.6° |
C5 | C4 | N9 | C1' | 179.9° | 179.9° |
C8 | N9 | C4 | N3 | 179.9° | 180.0° |
C8 | N9 | C4 | C1' | 179.4° | 179.8° |
C8 | N9 | C1' | O4' | 71.1° | 23.5° |
C8 | N9 | C1' | C2' | 39.7° | 91.8° |
C8 | N9 | C1' | H1' | 165.3° | 145.9° |
C2 | N3 | C4 | N9 | 179.2° | 179.5° |
N3 | C4 | N9 | C1' | 0.6° | 0.3° |
C4 | N3 | C2 | H2 | 179.6° | 180.0° |
C4 | N9 | C1' | O4' | 109.6° | 156.7° |
C4 | N9 | C1' | C2' | 139.6° | 87.9° |
C4 | N9 | C1' | H1' | 14.0° | 34.4° |
C4 | N9 | C8 | H8 | 179.6° | 179.8° |
C4' | O4' | C1' | N9 | 171.1° | 159.3° |
O4' | C4' | C5' | C3' | 107.4° | 115.4° |
O4' | C4' | C5' | H4' | 135.2° | 122.3° |
O4' | C4' | C3' | H4' | 128.1° | 118.9° |
C4' | O4' | C1' | C2' | 50.1° | 40.5° |
O4' | C4' | C3' | C2' | 8.5° | 23.9° |
O4' | C4' | C3' | O3' | 105.5° | 142.6° |
O4' | C4' | C5' | H5' | 95.2° | 50.4° |
O4' | C4' | C5' | H5'' | 145.2° | 170.4° |
O4' | C4' | C3' | H3' | 130.2° | 94.9° |
C4' | O4' | C1' | H1' | 65.8° | 78.3° |
O4' | C1' | N9 | C2' | 110.9° | 115.3° |
O4' | C1' | N9 | H1' | 123.6° | 122.4° |
C1' | O4' | C4' | C5' | 125.4° | 159.4° |
C1' | O4' | C4' | C3' | 26.1° | 40.5° |
O4' | C1' | C2' | H1' | 117.2° | 118.8° |
O4' | C1' | C2' | C3' | 51.2° | 24.0° |
O4' | C1' | C2' | O2' | 163.4° | 142.6° |
C1' | O4' | C4' | H4' | 100.2° | 78.4° |
O4' | C1' | C2' | H2' | 67.4° | 94.8° |
N9 | C1' | C2' | H1' | 126.0° | 122.4° |
N9 | C1' | C2' | C3' | 167.9° | 142.8° |
N9 | C1' | C2' | O2' | 79.9° | 98.5° |
N9 | C1' | C2' | H2' | 49.3° | 24.0° |
C1' | N9 | C8 | H8 | 0.2° | 0.0° |
C5' | C4' | C3' | H4' | 118.3° | 122.2° |
C5' | C4' | C3' | C2' | 105.1° | 142.8° |
C5' | C4' | C3' | O3' | 141.0° | 98.5° |
C4' | C5' | H5' | H5'' | 119.3° | 120.0° |
C5' | C4' | C3' | H3' | 16.7° | 24.0° |
C4' | C3' | C2' | C1' | 35.7° | 0.1° |
C4' | C3' | C2' | O3' | 109.8° | 118.7° |
C4' | C3' | C2' | H3' | 121.6° | 118.7° |
C4' | C3' | C2' | O2' | 147.9° | 118.7° |
C4' | C3' | O3' | H3' | 123.0° | 122.6° |
C3' | C4' | C5' | H5' | 12.1° | 65.0° |
C3' | C4' | C5' | H5'' | 107.4° | 55.0° |
C4' | C3' | O3' | HO3' | 180.0° | 61.4° |
C4' | C3' | C2' | H2' | 82.7° | 118.8° |
C1' | C2' | C3' | O2' | 112.2° | 118.6° |
C1' | C2' | C3' | H2' | 118.4° | 118.8° |
C1' | C2' | O2' | H2' | 128.0° | 122.7° |
C1' | C2' | C3' | O3' | 74.1° | 118.7° |
C1' | C2' | C3' | H3' | 157.3° | 118.7° |
C1' | C2' | O2' | HO8' | 180.0° | 176.1° |
C3' | C2' | O2' | H2' | 128.3° | 122.6° |
C2' | C3' | O3' | H3' | 127.5° | 122.7° |
C2' | C3' | C4' | H4' | 136.6° | 95.0° |
C2' | C3' | O3' | HO3' | 70.5° | 176.1° |
C3' | C2' | O2' | HO8' | 76.2° | 61.5° |
C3' | C2' | C1' | H1' | 66.0° | 94.8° |
O2' | C2' | C3' | O3' | 38.0° | 0.0° |
O2' | C2' | C3' | H3' | 90.5° | 122.7° |
O2' | C2' | C1' | H1' | 46.2° | 23.9° |
O3' | C3' | C4' | H4' | 22.7° | 23.7° |
O3' | C3' | C2' | H2' | 167.4° | 122.5° |
H5' | C5' | C4' | H4' | 129.5° | 172.7° |
H5'' | C5' | C4' | H4' | 10.0° | 67.3° |
H4' | C4' | C3' | H3' | 101.6° | 146.2° |
H3' | C3' | O3' | HO3' | 57.0° | 61.2° |
H3' | C3' | C2' | H2' | 38.9° | 0.1° |
H2' | C2' | O2' | HO8' | 52.0° | 61.2° |
H2' | C2' | C1' | H1' | 175.4° | 146.4° |