D3Z
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C2 | sing | 1.35Å | 1.41Å | |
N1 | C6 | sing | 1.37Å | 1.32Å | |
N1 | C1' | sing | 1.47Å | 1.44Å | |
C2 | N3 | sing | 1.35Å | 1.33Å | |
C2 | O2 | doub | 1.22Å | 1.25Å | |
N3 | C4 | sing | 1.35Å | 1.33Å | |
C4 | C5 | sing | 1.42Å | 1.37Å | |
C4 | O4 | doub | 1.22Å | 1.25Å | |
C5 | C6 | doub | 1.35Å | 1.39Å | |
C1' | C2' | sing | 1.55Å | 1.51Å | |
C1' | O4' | sing | 1.44Å | 1.44Å | |
C2' | O2' | sing | 1.43Å | 1.44Å | |
C2' | C3' | sing | 1.55Å | 1.52Å | |
C3' | C4' | sing | 1.54Å | 1.52Å | |
C3' | O3' | sing | 1.43Å | 1.42Å | |
C4' | O4' | sing | 1.44Å | 1.44Å | |
C4' | C5' | sing | 1.53Å | 1.52Å | |
N3 | HN3 | sing | 0.97Å | 1.00Å | |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
O2' | HO2' | sing | 0.97Å | 0.95Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C5' | H5' | sing | 1.09Å | 1.10Å | |
C5' | H5'A | sing | 1.09Å | 1.10Å | |
C5' | H5'B | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | N1 | C6 | 120.0° | 120.7° |
C2 | N1 | C1' | 120.8° | 119.7° |
N1 | C2 | N3 | 119.5° | 120.9° |
N1 | C2 | O2 | 121.5° | 119.6° |
C6 | N1 | C1' | 119.2° | 119.7° |
N1 | C6 | C5 | 118.9° | 119.7° |
N1 | C6 | H6 | 120.5° | 120.2° |
N1 | C1' | C2' | 105.7° | 110.3° |
N1 | C1' | O4' | 110.4° | 110.4° |
N1 | C1' | H1' | 110.9° | 110.3° |
N3 | C2 | O2 | 119.0° | 119.5° |
C2 | N3 | C4 | 121.9° | 120.2° |
C2 | N3 | HN3 | 119.0° | 119.9° |
N3 | C4 | C5 | 118.8° | 119.4° |
N3 | C4 | O4 | 122.7° | 120.3° |
C4 | N3 | HN3 | 119.1° | 119.9° |
C5 | C4 | O4 | 118.5° | 120.3° |
C4 | C5 | C6 | 120.9° | 119.1° |
C4 | C5 | H5 | 119.6° | 120.5° |
C6 | C5 | H5 | 119.6° | 120.5° |
C5 | C6 | H6 | 120.6° | 120.1° |
C2' | C1' | O4' | 107.9° | 104.8° |
C1' | C2' | O2' | 109.9° | 110.5° |
C1' | C2' | C3' | 105.9° | 104.0° |
C2' | C1' | H1' | 113.2° | 110.4° |
C1' | C2' | H2' | 113.7° | 110.5° |
C1' | O4' | C4' | 111.2° | 105.3° |
O4' | C1' | H1' | 108.8° | 110.5° |
O2' | C2' | C3' | 115.2° | 110.5° |
O2' | C2' | H2' | 104.2° | 110.5° |
C2' | O2' | HO2' | 109.5° | 114.1° |
C2' | C3' | C4' | 106.9° | 104.1° |
C2' | C3' | O3' | 110.7° | 110.5° |
C3' | C2' | H2' | 108.2° | 110.6° |
C2' | C3' | H3' | 110.3° | 110.5° |
C4' | C3' | O3' | 109.1° | 110.5° |
C3' | C4' | O4' | 106.9° | 104.8° |
C3' | C4' | C5' | 109.6° | 110.4° |
C4' | C3' | H3' | 111.8° | 110.5° |
C3' | C4' | H4' | 112.2° | 110.3° |
O3' | C3' | H3' | 108.1° | 110.6° |
C3' | O3' | HO3' | 109.5° | 114.0° |
O4' | C4' | C5' | 112.7° | 110.4° |
O4' | C4' | H4' | 109.1° | 110.4° |
C5' | C4' | H4' | 106.4° | 110.4° |
C4' | C5' | H5' | 109.5° | 109.5° |
C4' | C5' | H5'A | 109.5° | 109.5° |
C4' | C5' | H5'B | 109.4° | 109.5° |
H5' | C5' | H5'A | 109.4° | 109.4° |
H5' | C5' | H5'B | 109.4° | 109.5° |
H5'A | C5' | H5'B | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | N1 | C6 | C1' | 179.0° | 179.7° |
N1 | C2 | N3 | O2 | 179.7° | 180.0° |
N1 | C2 | N3 | C4 | 0.7° | 0.1° |
C2 | N1 | C6 | C5 | 0.0° | 0.0° |
C2 | N1 | C1' | C2' | 24.6° | 120.1° |
C2 | N1 | C1' | O4' | 141.0° | 4.7° |
N1 | C2 | N3 | HN3 | 179.3° | 179.9° |
C2 | N1 | C6 | H6 | 180.0° | 180.0° |
C2 | N1 | C1' | H1' | 98.4° | 117.7° |
C6 | N1 | C2 | N3 | 0.4° | 0.1° |
C6 | N1 | C2 | O2 | 179.9° | 180.0° |
N1 | C6 | C5 | C4 | 0.1° | 0.0° |
N1 | C6 | C5 | H6 | 180.0° | 180.0° |
C6 | N1 | C1' | C2' | 154.4° | 60.3° |
C6 | N1 | C1' | O4' | 38.1° | 175.6° |
N1 | C6 | C5 | H5 | 179.9° | 180.0° |
C6 | N1 | C1' | H1' | 82.6° | 61.9° |
C1' | N1 | C2 | N3 | 179.4° | 179.7° |
C1' | N1 | C2 | O2 | 0.9° | 0.3° |
C1' | N1 | C6 | C5 | 179.0° | 179.7° |
N1 | C1' | C2' | O4' | 118.0° | 118.8° |
N1 | C1' | C2' | H1' | 121.5° | 122.2° |
N1 | C1' | O4' | H1' | 121.9° | 122.3° |
N1 | C1' | C2' | O2' | 111.5° | 98.6° |
N1 | C1' | C2' | C3' | 123.5° | 142.8° |
N1 | C1' | O4' | C4' | 125.8° | 159.3° |
C1' | N1 | C6 | H6 | 0.9° | 0.3° |
N1 | C1' | C2' | H2' | 4.8° | 24.1° |
C2 | N3 | C4 | HN3 | 180.0° | 180.0° |
C2 | N3 | C4 | C5 | 0.5° | 0.1° |
C2 | N3 | C4 | O4 | 179.5° | 180.0° |
O2 | C2 | N3 | C4 | 179.6° | 180.0° |
O2 | C2 | N3 | HN3 | 0.4° | 0.0° |
N3 | C4 | C5 | O4 | 179.0° | 179.9° |
N3 | C4 | C5 | C6 | 0.2° | 0.0° |
N3 | C4 | C5 | H5 | 179.9° | 180.0° |
C4 | C5 | C6 | H5 | 180.0° | 179.9° |
C5 | C4 | N3 | HN3 | 179.4° | 179.9° |
C4 | C5 | C6 | H6 | 179.9° | 180.0° |
O4 | C4 | C5 | C6 | 179.2° | 180.0° |
O4 | C4 | N3 | HN3 | 0.5° | 0.0° |
O4 | C4 | C5 | H5 | 0.8° | 0.1° |
C2' | C1' | O4' | H1' | 123.2° | 118.9° |
C1' | C2' | O2' | C3' | 119.5° | 114.6° |
C1' | C2' | O2' | H2' | 122.1° | 122.7° |
C1' | C2' | C3' | H2' | 122.3° | 118.7° |
C1' | C2' | C3' | C4' | 1.4° | 0.0° |
C1' | C2' | C3' | O3' | 117.3° | 118.6° |
C2' | C1' | O4' | C4' | 10.8° | 40.6° |
C1' | C2' | O2' | HO2' | 1.1° | 179.9° |
C1' | C2' | C3' | H3' | 123.1° | 118.6° |
O4' | C1' | C2' | O2' | 130.5° | 142.6° |
O4' | C1' | C2' | C3' | 5.5° | 24.0° |
C1' | O4' | C4' | C3' | 11.6° | 40.5° |
C1' | O4' | C4' | C5' | 132.0° | 159.4° |
O4' | C1' | C2' | H2' | 113.2° | 94.7° |
C1' | O4' | C4' | H4' | 110.0° | 78.3° |
O2' | C2' | C3' | H2' | 116.1° | 122.7° |
O2' | C2' | C3' | C4' | 120.3° | 118.6° |
O2' | C2' | C3' | O3' | 121.1° | 122.7° |
O2' | C2' | C1' | H1' | 10.0° | 23.6° |
O2' | C2' | C3' | H3' | 1.5° | 0.0° |
C2' | C3' | C4' | O3' | 119.7° | 118.6° |
C2' | C3' | C4' | H3' | 120.8° | 118.6° |
C2' | C3' | O3' | H3' | 120.9° | 122.7° |
C2' | C3' | C4' | O4' | 7.7° | 24.0° |
C2' | C3' | C4' | C5' | 130.1° | 142.8° |
C3' | C2' | C1' | H1' | 115.0° | 95.0° |
C3' | C2' | O2' | HO2' | 120.6° | 65.4° |
C2' | C3' | C4' | H4' | 111.9° | 94.9° |
C2' | C3' | O3' | HO3' | 115.7° | 180.0° |
C4' | C3' | O3' | H3' | 121.8° | 122.7° |
C3' | C4' | O4' | C5' | 120.4° | 118.8° |
C3' | C4' | O4' | H4' | 121.6° | 118.8° |
C3' | C4' | C5' | H4' | 121.6° | 122.3° |
C4' | C3' | C2' | H2' | 123.6° | 118.7° |
C4' | C3' | O3' | HO3' | 127.0° | 65.4° |
C3' | C4' | C5' | H5' | 154.4° | 60.0° |
C3' | C4' | C5' | H5'A | 85.6° | 180.0° |
C3' | C4' | C5' | H5'B | 34.4° | 60.0° |
O3' | C3' | C4' | O4' | 112.0° | 94.6° |
O3' | C3' | C4' | C5' | 10.4° | 24.2° |
O3' | C3' | C2' | H2' | 5.0° | 0.1° |
O3' | C3' | C4' | H4' | 128.4° | 146.5° |
O4' | C4' | C5' | H4' | 119.5° | 122.4° |
C4' | O4' | C1' | H1' | 112.3° | 78.3° |
O4' | C4' | C3' | H3' | 128.5° | 142.6° |
O4' | C4' | C5' | H5' | 86.7° | 175.4° |
O4' | C4' | C5' | H5'A | 33.3° | 64.6° |
O4' | C4' | C5' | H5'B | 153.3° | 55.3° |
C5' | C4' | C3' | H3' | 109.1° | 98.6° |
C4' | C5' | H5' | H5'A | 120.0° | 120.0° |
C4' | C5' | H5' | H5'B | 120.0° | 120.1° |
C4' | C5' | H5'A | H5'B | 120.0° | 120.0° |
H5 | C5 | C6 | H6 | 0.1° | 0.0° |
H1' | C1' | C2' | H2' | 126.3° | 146.3° |
H2' | C2' | O2' | HO2' | 121.0° | 57.4° |
H2' | C2' | C3' | H3' | 114.6° | 122.7° |
H3' | C3' | C4' | H4' | 8.9° | 23.7° |
H3' | C3' | O3' | HO3' | 5.2° | 57.3° |
H4' | C4' | C5' | H5' | 32.8° | 62.2° |
H4' | C4' | C5' | H5'A | 152.8° | 57.7° |
H4' | C4' | C5' | H5'B | 87.2° | 177.7° |
H5' | C5' | H5'A | H5'B | 120.0° | 120.0° |