JZU
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
S | N18 | sing | 1.66Å | 1.50Å | |
S | O2S | doub | 1.42Å | 1.46Å | |
S | O3S | doub | 1.42Å | 1.48Å | |
S | N5' | sing | 1.66Å | 1.54Å | |
N1 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
N1 | C6 | sing | 1.33Å | 1.36Å | Aromatic |
C2 | N3 | sing | 1.32Å | 1.36Å | Aromatic |
N3 | C4 | doub | 1.33Å | 1.36Å | Aromatic |
C4 | C5 | sing | 1.41Å | 1.38Å | Aromatic |
C4 | N9 | sing | 1.37Å | 1.32Å | Aromatic |
C5 | C6 | doub | 1.41Å | 1.48Å | Aromatic |
C5 | N7 | sing | 1.35Å | 1.35Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.34Å | |
N7 | C8 | doub | 1.30Å | 1.34Å | Aromatic |
C8 | N9 | sing | 1.36Å | 1.35Å | Aromatic |
N9 | C1' | sing | 1.47Å | 1.50Å | |
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' | O3' | sing | 1.43Å | 1.42Å | |
C3' | C4' | sing | 1.54Å | 1.52Å | |
C4' | O4' | sing | 1.44Å | 1.45Å | |
C4' | C5' | sing | 1.53Å | 1.51Å | |
C5' | N5' | sing | 1.46Å | 1.43Å | |
C2 | H2 | sing | 1.08Å | 1.08Å | |
N6 | HN6 | sing | 0.97Å | 1.00Å | |
N6 | HN6A | sing | 0.97Å | 1.00Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
N18 | HN18 | sing | 0.97Å | 1.00Å | |
N18 | HN1A | sing | 0.97Å | 1.00Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
O2' | HO2' | sing | 0.97Å | 0.95Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
C5' | H5' | sing | 1.09Å | 1.10Å | |
C5' | H5'A | sing | 1.09Å | 1.10Å | |
N5' | HN5' | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N18 | S | O2S | 104.5° | 106.4° |
N18 | S | O3S | 111.2° | 106.4° |
N18 | S | N5' | 110.7° | 107.2° |
S | N18 | HN18 | 109.5° | 120.0° |
S | N18 | HN1A | 109.5° | 120.0° |
O2S | S | O3S | 111.4° | 123.1° |
O2S | S | N5' | 114.2° | 106.4° |
O3S | S | N5' | 104.9° | 106.4° |
S | N5' | C5' | 118.1° | 120.0° |
S | N5' | HN5' | 106.7° | 120.0° |
C2 | N1 | C6 | 118.9° | 121.2° |
N1 | C2 | N3 | 123.5° | 122.5° |
N1 | C2 | H2 | 118.2° | 118.8° |
N1 | C6 | C5 | 119.3° | 118.4° |
N1 | C6 | N6 | 123.1° | 120.8° |
C2 | N3 | C4 | 120.8° | 120.6° |
N3 | C2 | H2 | 118.2° | 118.8° |
N3 | C4 | C5 | 119.6° | 119.1° |
N3 | C4 | N9 | 133.1° | 134.9° |
C5 | C4 | N9 | 107.3° | 106.0° |
C4 | C5 | C6 | 117.7° | 118.2° |
C4 | C5 | N7 | 110.0° | 107.1° |
C4 | N9 | C8 | 106.4° | 107.4° |
C4 | N9 | C1' | 126.5° | 126.2° |
C6 | C5 | N7 | 132.3° | 134.7° |
C5 | C6 | N6 | 117.6° | 120.8° |
C5 | N7 | C8 | 103.9° | 109.4° |
C6 | N6 | HN6 | 109.5° | 120.0° |
C6 | N6 | HN6A | 109.5° | 120.0° |
N7 | C8 | N9 | 112.5° | 110.0° |
N7 | C8 | H8 | 123.7° | 125.0° |
C8 | N9 | C1' | 127.0° | 126.3° |
N9 | C8 | H8 | 123.8° | 125.0° |
N9 | C1' | C2' | 109.1° | 110.6° |
N9 | C1' | O4' | 115.5° | 110.6° |
N9 | C1' | H1' | 103.9° | 110.6° |
C2' | C1' | O4' | 103.5° | 103.5° |
C1' | C2' | O2' | 114.5° | 110.9° |
C1' | C2' | C3' | 106.0° | 102.1° |
C2' | C1' | H1' | 115.8° | 110.7° |
C1' | C2' | H2' | 110.8° | 111.0° |
C1' | O4' | C4' | 108.4° | 107.0° |
O4' | C1' | H1' | 109.4° | 110.8° |
O2' | C2' | C3' | 115.5° | 110.9° |
O2' | C2' | H2' | 100.2° | 110.8° |
C2' | O2' | HO2' | 109.5° | 114.0° |
C2' | C3' | O3' | 115.2° | 110.5° |
C2' | C3' | C4' | 102.7° | 104.2° |
C3' | C2' | H2' | 109.7° | 110.9° |
C2' | C3' | H3' | 110.5° | 110.5° |
O3' | C3' | C4' | 110.2° | 110.5° |
O3' | C3' | H3' | 103.1° | 110.4° |
C3' | O3' | HO3' | 109.5° | 114.0° |
C3' | C4' | O4' | 108.3° | 107.2° |
C3' | C4' | C5' | 105.8° | 109.9° |
C4' | C3' | H3' | 115.6° | 110.6° |
C3' | C4' | H4' | 112.7° | 109.9° |
O4' | C4' | C5' | 109.8° | 109.9° |
O4' | C4' | H4' | 108.9° | 109.9° |
C4' | C5' | N5' | 102.8° | 109.5° |
C5' | C4' | H4' | 111.2° | 110.0° |
C4' | C5' | H5' | 111.8° | 109.5° |
C4' | C5' | H5'A | 111.8° | 109.5° |
N5' | C5' | H5' | 111.7° | 109.5° |
N5' | C5' | H5'A | 111.8° | 109.5° |
C5' | N5' | HN5' | 106.7° | 120.0° |
HN6 | N6 | HN6A | 109.5° | 120.0° |
HN18 | N18 | HN1A | 109.4° | 120.1° |
H5' | C5' | H5'A | 107.1° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N18 | S | O2S | O3S | 120.2° | 123.0° |
N18 | S | O2S | N5' | 121.1° | 114.1° |
N18 | S | O3S | N5' | 119.8° | 114.1° |
N18 | S | N5' | C5' | 74.0° | 65.0° |
S | N18 | HN18 | HN1A | 120.0° | 179.9° |
N18 | S | N5' | HN5' | 166.0° | 115.0° |
O2S | S | O3S | N5' | 124.0° | 122.9° |
O2S | S | N5' | C5' | 43.6° | 48.5° |
O2S | S | N18 | HN18 | 180.0° | 113.6° |
O2S | S | N18 | HN1A | 60.0° | 66.5° |
O2S | S | N5' | HN5' | 76.4° | 131.5° |
O3S | S | N5' | C5' | 165.9° | 178.6° |
O3S | S | N18 | HN18 | 59.7° | 113.5° |
O3S | S | N18 | HN1A | 60.3° | 66.4° |
O3S | S | N5' | HN5' | 45.9° | 1.4° |
S | N5' | C5' | C4' | 149.9° | 165.0° |
S | N5' | C5' | HN5' | 120.0° | 180.0° |
N5' | S | N18 | HN18 | 56.6° | 0.0° |
N5' | S | N18 | HN1A | 176.6° | 180.0° |
S | N5' | C5' | H5' | 29.9° | 45.0° |
S | N5' | C5' | H5'A | 90.1° | 75.0° |
N1 | C2 | N3 | H2 | 180.0° | 179.9° |
N1 | C2 | N3 | C4 | 0.2° | 0.0° |
C2 | N1 | C6 | C5 | 0.9° | 0.0° |
C2 | N1 | C6 | N6 | 178.2° | 180.0° |
C6 | N1 | C2 | N3 | 0.3° | 0.0° |
N1 | C6 | C5 | C4 | 1.1° | 0.0° |
N1 | C6 | C5 | N6 | 179.1° | 179.9° |
N1 | C6 | C5 | N7 | 178.7° | 180.0° |
C6 | N1 | C2 | H2 | 179.7° | 179.9° |
N1 | C6 | N6 | HN6 | 0.0° | 0.1° |
N1 | C6 | N6 | HN6A | 120.0° | 180.0° |
C2 | N3 | C4 | C5 | 0.0° | 0.0° |
C2 | N3 | C4 | N9 | 178.4° | 180.0° |
N3 | C4 | C5 | N9 | 178.8° | 179.9° |
N3 | C4 | C5 | C6 | 0.6° | 0.0° |
N3 | C4 | C5 | N7 | 179.2° | 180.0° |
N3 | C4 | N9 | C8 | 179.9° | 179.9° |
N3 | C4 | N9 | C1' | 2.6° | 0.0° |
C4 | N3 | C2 | H2 | 179.8° | 179.9° |
C4 | C5 | C6 | N7 | 179.8° | 179.9° |
C4 | C5 | C6 | N6 | 178.0° | 179.9° |
C4 | C5 | N7 | C8 | 0.8° | 0.0° |
C5 | C4 | N9 | C8 | 1.6° | 0.0° |
C5 | C4 | N9 | C1' | 178.8° | 180.0° |
N9 | C4 | C5 | C6 | 179.4° | 179.9° |
N9 | C4 | C5 | N7 | 0.5° | 0.0° |
C4 | N9 | C8 | N7 | 2.2° | 0.0° |
C4 | N9 | C8 | C1' | 177.2° | 180.0° |
C4 | N9 | C1' | C2' | 126.1° | 85.0° |
C4 | N9 | C1' | O4' | 117.9° | 161.0° |
C4 | N9 | C8 | H8 | 177.8° | 179.9° |
C4 | N9 | C1' | H1' | 2.0° | 37.9° |
C6 | C5 | N7 | C8 | 179.3° | 179.9° |
C5 | C6 | N6 | HN6 | 179.0° | 180.0° |
C5 | C6 | N6 | HN6A | 60.9° | 0.1° |
N7 | C5 | C6 | N6 | 2.2° | 0.1° |
C5 | N7 | C8 | N9 | 1.9° | 0.0° |
C5 | N7 | C8 | H8 | 178.1° | 179.9° |
C6 | N6 | HN6 | HN6A | 120.0° | 179.9° |
N7 | C8 | N9 | H8 | 180.0° | 179.9° |
N7 | C8 | N9 | C1' | 179.5° | 180.0° |
C8 | N9 | C1' | C2' | 50.6° | 95.0° |
C8 | N9 | C1' | O4' | 65.4° | 19.0° |
C8 | N9 | C1' | H1' | 174.7° | 142.1° |
N9 | C1' | C2' | O4' | 123.5° | 118.4° |
N9 | C1' | C2' | H1' | 116.7° | 122.9° |
N9 | C1' | O4' | H1' | 116.8° | 123.0° |
N9 | C1' | C2' | O2' | 74.6° | 86.3° |
N9 | C1' | C2' | C3' | 156.8° | 155.5° |
N9 | C1' | O4' | C4' | 150.1° | 158.6° |
C1' | N9 | C8 | H8 | 0.5° | 0.1° |
N9 | C1' | C2' | H2' | 37.8° | 37.2° |
C2' | C1' | O4' | H1' | 124.0° | 118.6° |
C1' | C2' | O2' | C3' | 123.6° | 112.7° |
C1' | C2' | O2' | H2' | 118.6° | 123.7° |
C1' | C2' | C3' | H2' | 119.7° | 118.3° |
C1' | C2' | C3' | O3' | 97.1° | 97.8° |
C1' | C2' | C3' | C4' | 22.8° | 20.9° |
C2' | C1' | O4' | C4' | 30.9° | 40.1° |
C1' | C2' | O2' | HO2' | 180.0° | 180.0° |
C1' | C2' | C3' | H3' | 146.6° | 139.7° |
O4' | C1' | C2' | O2' | 161.9° | 155.2° |
O4' | C1' | C2' | C3' | 33.3° | 37.1° |
C1' | O4' | C4' | C3' | 16.9° | 26.6° |
C1' | O4' | C4' | C5' | 132.0° | 145.9° |
O4' | C1' | C2' | H2' | 85.7° | 81.2° |
C1' | O4' | C4' | H4' | 106.0° | 92.9° |
O2' | C2' | C3' | H2' | 112.3° | 123.6° |
O2' | C2' | C3' | O3' | 30.9° | 20.4° |
O2' | C2' | C3' | C4' | 150.8° | 139.0° |
O2' | C2' | C1' | H1' | 42.1° | 36.6° |
O2' | C2' | C3' | H3' | 85.4° | 102.1° |
C2' | C3' | O3' | C4' | 115.6° | 114.8° |
C2' | C3' | O3' | H3' | 120.5° | 122.6° |
C2' | C3' | C4' | H3' | 120.4° | 118.8° |
C2' | C3' | C4' | O4' | 4.3° | 2.1° |
C2' | C3' | C4' | C5' | 113.4° | 121.4° |
C3' | C2' | C1' | H1' | 86.4° | 81.6° |
C3' | C2' | O2' | HO2' | 56.4° | 67.3° |
C2' | C3' | O3' | HO3' | 180.0° | 61.5° |
C2' | C3' | C4' | H4' | 124.8° | 117.4° |
O3' | C3' | C4' | H3' | 116.3° | 122.6° |
O3' | C3' | C4' | O4' | 119.0° | 120.7° |
O3' | C3' | C4' | C5' | 123.3° | 119.9° |
O3' | C3' | C2' | H2' | 143.2° | 144.0° |
O3' | C3' | C4' | H4' | 1.5° | 1.3° |
C3' | C4' | O4' | C5' | 115.1° | 119.4° |
C3' | C4' | O4' | H4' | 122.9° | 119.5° |
C3' | C4' | C5' | H4' | 122.7° | 121.1° |
C3' | C4' | C5' | N5' | 97.8° | 175.0° |
C4' | C3' | C2' | H2' | 96.9° | 97.4° |
C4' | C3' | O3' | HO3' | 64.4° | 176.3° |
C3' | C4' | C5' | H5' | 22.2° | 55.1° |
C3' | C4' | C5' | H5'A | 142.2° | 65.0° |
O4' | C4' | C5' | H4' | 120.7° | 121.1° |
O4' | C4' | C5' | N5' | 145.6° | 67.2° |
C4' | O4' | C1' | H1' | 93.1° | 78.5° |
O4' | C4' | C3' | H3' | 124.7° | 116.7° |
O4' | C4' | C5' | H5' | 94.4° | 172.8° |
O4' | C4' | C5' | H5'A | 25.6° | 52.8° |
C4' | C5' | N5' | H5' | 120.0° | 120.0° |
C4' | C5' | N5' | H5'A | 120.0° | 120.0° |
C5' | C4' | C3' | H3' | 7.0° | 2.7° |
C4' | C5' | H5' | H5'A | 122.7° | 120.0° |
C4' | C5' | N5' | HN5' | 30.0° | 15.1° |
N5' | C5' | C4' | H4' | 24.9° | 53.9° |
N5' | C5' | H5' | H5'A | 122.7° | 120.0° |
H1' | C1' | C2' | H2' | 154.6° | 160.1° |
H2' | C2' | O2' | HO2' | 61.4° | 56.3° |
H2' | C2' | C3' | H3' | 26.9° | 21.5° |
H3' | C3' | O3' | HO3' | 59.5° | 61.1° |
H3' | C3' | C4' | H4' | 114.8° | 123.8° |
H4' | C4' | C5' | H5' | 144.9° | 66.1° |
H4' | C4' | C5' | H5'A | 95.1° | 173.9° |
H5' | C5' | N5' | HN5' | 90.0° | 135.0° |
H5'A | C5' | N5' | HN5' | 150.0° | 105.0° |