5AS
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
S | N1S | sing | 1.66Å | 1.65Å | |
S | O2S | doub | 1.42Å | 1.48Å | |
S | O3S | doub | 1.42Å | 1.46Å | |
S | O5' | sing | 1.52Å | 1.60Å | |
N1S | C10 | sing | 1.46Å | 1.46Å | |
N1S | H1S | sing | 0.97Å | 1.02Å | |
O5' | C5' | sing | 1.43Å | 1.51Å | |
C5' | C4' | sing | 1.53Å | 1.51Å | |
C5' | H5'1 | sing | 1.09Å | 1.11Å | |
C5' | H5'2 | sing | 1.09Å | 1.12Å | |
C4' | O4' | sing | 1.44Å | 1.42Å | |
C4' | C3' | sing | 1.54Å | 1.55Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
O4' | C1' | sing | 1.44Å | 1.40Å | |
C3' | O3' | sing | 1.43Å | 1.42Å | |
C3' | C2' | sing | 1.55Å | 1.51Å | |
C3' | H3' | sing | 1.09Å | 1.12Å | |
O3' | HO'3 | sing | 0.97Å | 0.95Å | |
C2' | O2' | sing | 1.43Å | 1.43Å | |
C2' | C1' | sing | 1.55Å | 1.53Å | |
C2' | H2' | sing | 1.09Å | 1.12Å | |
O2' | HO'2 | sing | 0.97Å | 0.95Å | |
C1' | N9 | sing | 1.46Å | 1.45Å | |
C1' | H1' | sing | 1.09Å | 1.11Å | |
N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.36Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
C5 | C6 | doub | 1.41Å | 1.42Å | Aromatic |
C5 | C4 | sing | 1.40Å | 1.43Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.35Å | |
C6 | N1 | sing | 1.33Å | 1.37Å | Aromatic |
N6 | H61 | sing | 0.97Å | 1.02Å | |
N6 | H62 | sing | 0.97Å | 1.02Å | |
N1 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
C2 | N3 | sing | 1.32Å | 1.35Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.10Å | |
N3 | C4 | doub | 1.33Å | 1.39Å | Aromatic |
C10 | C11 | sing | 1.53Å | 1.50Å | |
C10 | H101 | sing | 1.09Å | 1.12Å | |
C10 | H102 | sing | 1.09Å | 1.12Å | |
C11 | H111 | sing | 1.09Å | 1.12Å | |
C11 | H112 | sing | 1.09Å | 1.11Å | |
C11 | H113 | sing | 1.09Å | 1.11Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N1S | S | O2S | 107.9° | 105.8° |
N1S | S | O3S | 108.3° | 105.7° |
N1S | S | O5' | 112.9° | 107.4° |
S | N1S | C10 | 125.1° | 120.0° |
S | N1S | H1S | 106.7° | 120.0° |
O2S | S | O3S | 113.4° | 125.4° |
O2S | S | O5' | 109.7° | 105.8° |
O3S | S | O5' | 104.6° | 105.8° |
S | O5' | C5' | 120.7° | 106.8° |
C10 | N1S | H1S | 106.7° | 120.0° |
N1S | C10 | C11 | 107.4° | 109.5° |
N1S | C10 | H101 | 113.0° | 109.4° |
N1S | C10 | H102 | 113.0° | 109.5° |
O5' | C5' | C4' | 110.8° | 109.5° |
O5' | C5' | H5'1 | 111.7° | 109.4° |
O5' | C5' | H5'2 | 111.7° | 109.5° |
C4' | C5' | H5'1 | 111.8° | 109.4° |
C4' | C5' | H5'2 | 111.7° | 109.5° |
C5' | C4' | O4' | 106.9° | 109.9° |
C5' | C4' | C3' | 112.8° | 110.0° |
C5' | C4' | H4' | 108.9° | 109.8° |
H5'1 | C5' | H5'2 | 98.6° | 109.4° |
O4' | C4' | C3' | 109.0° | 107.4° |
O4' | C4' | H4' | 112.6° | 109.9° |
C4' | O4' | C1' | 106.7° | 107.0° |
C3' | C4' | H4' | 106.7° | 109.9° |
C4' | C3' | O3' | 113.3° | 110.8° |
C4' | C3' | C2' | 107.8° | 104.1° |
C4' | C3' | H3' | 108.1° | 110.4° |
O4' | C1' | C2' | 115.7° | 103.5° |
O4' | C1' | N9 | 119.8° | 110.6° |
O4' | C1' | H1' | 136.4° | 110.6° |
O3' | C3' | C2' | 109.9° | 110.6° |
O3' | C3' | H3' | 106.0° | 110.4° |
C3' | O3' | HO'3 | 113.3° | 106.8° |
C2' | C3' | H3' | 111.7° | 110.5° |
C3' | C2' | O2' | 110.4° | 110.8° |
C3' | C2' | C1' | 100.5° | 102.1° |
C3' | C2' | H2' | 116.7° | 111.0° |
O2' | C2' | C1' | 115.2° | 110.9° |
O2' | C2' | H2' | 102.5° | 110.8° |
C2' | O2' | HO'2 | 110.4° | 106.8° |
C1' | C2' | H2' | 112.1° | 110.9° |
C2' | C1' | N9 | 124.4° | 110.7° |
C2' | C1' | H1' | 90.6° | 110.6° |
N9 | C1' | H1' | 50.3° | 110.5° |
C1' | N9 | C8 | 126.8° | 126.2° |
C1' | N9 | C4 | 125.5° | 126.3° |
C8 | N9 | C4 | 107.7° | 107.4° |
N9 | C8 | N7 | 112.6° | 110.0° |
N9 | C8 | H8 | 126.1° | 125.0° |
N9 | C4 | C5 | 105.2° | 106.0° |
N9 | C4 | N3 | 129.8° | 135.0° |
N7 | C8 | H8 | 121.3° | 125.0° |
C8 | N7 | C5 | 106.5° | 109.5° |
N7 | C5 | C6 | 134.6° | 134.6° |
N7 | C5 | C4 | 108.0° | 107.1° |
C6 | C5 | C4 | 117.4° | 118.2° |
C5 | C6 | N6 | 122.4° | 120.8° |
C5 | C6 | N1 | 116.8° | 118.4° |
C5 | C4 | N3 | 125.0° | 119.0° |
N6 | C6 | N1 | 120.9° | 120.8° |
C6 | N6 | H61 | 122.4° | 120.0° |
C6 | N6 | H62 | 107.6° | 120.0° |
C6 | N1 | C2 | 121.0° | 121.2° |
H61 | N6 | H62 | 107.6° | 120.0° |
N1 | C2 | N3 | 128.3° | 122.4° |
N1 | C2 | H2 | 115.2° | 118.7° |
N3 | C2 | H2 | 116.4° | 118.8° |
C2 | N3 | C4 | 111.4° | 120.7° |
C11 | C10 | H101 | 113.0° | 109.5° |
C11 | C10 | H102 | 113.0° | 109.4° |
C10 | C11 | H111 | 107.4° | 109.5° |
C10 | C11 | H112 | 112.9° | 109.4° |
C10 | C11 | H113 | 112.9° | 109.5° |
H101 | C10 | H102 | 97.5° | 109.5° |
H111 | C11 | H112 | 112.9° | 109.5° |
H111 | C11 | H113 | 113.0° | 109.5° |
H112 | C11 | H113 | 97.6° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N1S | S | O2S | O3S | 120.0° | 123.1° |
N1S | S | O2S | O5' | 123.4° | 113.7° |
N1S | S | O3S | O5' | 120.7° | 113.7° |
S | N1S | C10 | H1S | 125.3° | 179.9° |
N1S | S | O5' | C5' | 83.5° | 90.1° |
S | N1S | C10 | C11 | 46.8° | 180.0° |
S | N1S | C10 | H101 | 78.5° | 60.0° |
S | N1S | C10 | H102 | 172.1° | 60.0° |
O2S | S | O3S | O5' | 119.6° | 123.2° |
O2S | S | N1S | C10 | 150.2° | 172.6° |
O2S | S | N1S | H1S | 84.5° | 7.3° |
O2S | S | O5' | C5' | 36.9° | 22.6° |
O3S | S | N1S | C10 | 86.6° | 52.6° |
O3S | S | N1S | H1S | 38.7° | 127.4° |
O3S | S | O5' | C5' | 158.9° | 157.4° |
O5' | S | N1S | C10 | 28.7° | 60.0° |
O5' | S | N1S | H1S | 154.0° | 120.0° |
S | O5' | C5' | C4' | 153.1° | 180.0° |
S | O5' | C5' | H5'1 | 81.6° | 60.0° |
S | O5' | C5' | H5'2 | 27.9° | 59.9° |
N1S | C10 | C11 | H101 | 125.3° | 120.0° |
N1S | C10 | C11 | H102 | 125.3° | 120.0° |
N1S | C10 | H101 | H102 | 118.9° | 120.0° |
N1S | C10 | C11 | H111 | 180.0° | 180.0° |
N1S | C10 | C11 | H112 | 54.8° | 60.0° |
N1S | C10 | C11 | H113 | 54.8° | 60.0° |
H1S | N1S | C10 | C11 | 78.5° | 0.0° |
H1S | N1S | C10 | H101 | 156.2° | 120.1° |
H1S | N1S | C10 | H102 | 46.8° | 119.9° |
O5' | C5' | C4' | H5'1 | 125.3° | 120.0° |
O5' | C5' | C4' | H5'2 | 125.3° | 120.1° |
O5' | C5' | H5'1 | H5'2 | 117.6° | 120.0° |
O5' | C5' | C4' | O4' | 159.5° | 61.6° |
O5' | C5' | C4' | C3' | 80.7° | 179.7° |
O5' | C5' | C4' | H4' | 37.6° | 59.3° |
C4' | C5' | H5'1 | H5'2 | 117.6° | 119.9° |
C5' | C4' | O4' | C3' | 122.2° | 119.6° |
C5' | C4' | O4' | H4' | 119.6° | 120.9° |
C5' | C4' | C3' | H4' | 119.5° | 121.0° |
C5' | C4' | O4' | C1' | 121.5° | 146.0° |
C5' | C4' | C3' | O3' | 122.6° | 119.8° |
C5' | C4' | C3' | C2' | 115.6° | 121.4° |
C5' | C4' | C3' | H3' | 5.3° | 2.9° |
H5'1 | C5' | C4' | O4' | 34.2° | 58.3° |
H5'1 | C5' | C4' | C3' | 154.0° | 59.7° |
H5'1 | C5' | C4' | H4' | 87.7° | 179.3° |
H5'2 | C5' | C4' | O4' | 75.2° | 178.2° |
H5'2 | C5' | C4' | C3' | 44.6° | 60.2° |
H5'2 | C5' | C4' | H4' | 162.8° | 60.8° |
O4' | C4' | C3' | H4' | 121.9° | 119.5° |
O4' | C4' | C3' | O3' | 118.9° | 120.7° |
O4' | C4' | C3' | C2' | 3.0° | 1.8° |
O4' | C4' | C3' | H3' | 123.9° | 116.7° |
C4' | O4' | C1' | C2' | 2.0° | 40.1° |
C4' | O4' | C1' | N9 | 178.3° | 158.7° |
C4' | O4' | C1' | H1' | 119.5° | 78.5° |
C3' | C4' | O4' | C1' | 0.7° | 26.4° |
C4' | C3' | O3' | C2' | 120.7° | 114.8° |
C4' | C3' | O3' | H3' | 118.5° | 122.6° |
C4' | C3' | C2' | H3' | 118.7° | 118.5° |
C4' | C3' | O3' | HO'3 | 180.0° | 176.3° |
C4' | C3' | C2' | O2' | 125.8° | 139.2° |
C4' | C3' | C2' | C1' | 3.8° | 21.0° |
C4' | C3' | C2' | H2' | 117.7° | 97.2° |
H4' | C4' | O4' | C1' | 118.9° | 93.1° |
H4' | C4' | C3' | O3' | 3.0° | 1.2° |
H4' | C4' | C3' | C2' | 124.9° | 117.6° |
H4' | C4' | C3' | H3' | 114.2° | 123.9° |
O4' | C1' | C2' | C3' | 3.7° | 37.1° |
O4' | C1' | C2' | O2' | 122.3° | 155.2° |
O4' | C1' | C2' | N9 | 176.1° | 118.6° |
O4' | C1' | C2' | H1' | 144.0° | 118.5° |
O4' | C1' | C2' | H2' | 121.0° | 81.2° |
O4' | C1' | N9 | H1' | 127.5° | 122.9° |
O4' | C1' | N9 | C8 | 96.1° | 28.5° |
O4' | C1' | N9 | C4 | 80.5° | 151.8° |
O3' | C3' | C2' | H3' | 117.3° | 122.5° |
O3' | C3' | C2' | O2' | 1.8° | 20.2° |
O3' | C3' | C2' | C1' | 120.2° | 98.0° |
O3' | C3' | C2' | H2' | 118.3° | 143.8° |
C2' | C3' | O3' | HO'3 | 59.3° | 61.4° |
C3' | C2' | O2' | C1' | 113.0° | 112.6° |
C3' | C2' | O2' | H2' | 125.0° | 123.7° |
C3' | C2' | C1' | H2' | 124.7° | 118.3° |
C3' | C2' | O2' | HO'2 | 180.0° | 67.4° |
C3' | C2' | C1' | N9 | 179.8° | 155.7° |
C3' | C2' | C1' | H1' | 140.2° | 81.4° |
H3' | C3' | O3' | HO'3 | 61.5° | 61.1° |
H3' | C3' | C2' | O2' | 115.5° | 102.3° |
H3' | C3' | C2' | C1' | 122.4° | 139.5° |
H3' | C3' | C2' | H2' | 1.0° | 21.3° |
O2' | C2' | C1' | H2' | 116.7° | 123.6° |
O2' | C2' | C1' | N9 | 61.6° | 86.2° |
O2' | C2' | C1' | H1' | 21.6° | 36.7° |
C1' | C2' | O2' | HO'2 | 67.1° | 180.0° |
C2' | C1' | N9 | H1' | 56.6° | 123.0° |
C2' | C1' | N9 | C8 | 79.8° | 85.6° |
C2' | C1' | N9 | C4 | 103.6° | 94.1° |
H2' | C2' | O2' | HO'2 | 54.9° | 56.3° |
H2' | C2' | C1' | N9 | 55.1° | 37.4° |
H2' | C2' | C1' | H1' | 95.0° | 160.3° |
C1' | N9 | C8 | C4 | 177.1° | 179.7° |
C1' | N9 | C8 | N7 | 176.7° | 180.0° |
C1' | N9 | C8 | H8 | 3.4° | 0.0° |
C1' | N9 | C4 | C5 | 176.6° | 179.9° |
C1' | N9 | C4 | N3 | 3.0° | 0.8° |
H1' | C1' | N9 | C8 | 136.4° | 151.4° |
H1' | C1' | N9 | C4 | 47.0° | 28.9° |
N9 | C8 | N7 | H8 | 180.0° | 180.0° |
N9 | C8 | N7 | C5 | 0.1° | 0.0° |
C8 | N9 | C4 | C5 | 0.5° | 0.4° |
C8 | N9 | C4 | N3 | 179.9° | 179.5° |
C4 | N9 | C8 | N7 | 0.4° | 0.3° |
C4 | N9 | C8 | H8 | 179.6° | 179.7° |
N9 | C4 | C5 | N7 | 0.5° | 0.4° |
N9 | C4 | C5 | C6 | 179.8° | 179.8° |
N9 | C4 | C5 | N3 | 179.6° | 179.2° |
N9 | C4 | N3 | C2 | 179.7° | 179.5° |
C8 | N7 | C5 | C6 | 179.9° | 180.0° |
C8 | N7 | C5 | C4 | 0.3° | 0.2° |
H8 | C8 | N7 | C5 | 179.9° | 180.0° |
N7 | C5 | C6 | C4 | 179.6° | 179.7° |
N7 | C5 | C6 | N6 | 0.5° | 0.0° |
N7 | C5 | C6 | N1 | 179.8° | 180.0° |
N7 | C5 | C4 | N3 | 179.9° | 179.6° |
C5 | C6 | N6 | N1 | 179.7° | 179.9° |
C5 | C6 | N6 | H61 | 180.0° | 180.0° |
C5 | C6 | N6 | H62 | 54.8° | 0.1° |
C5 | C6 | N1 | C2 | 0.2° | 0.0° |
C6 | C5 | C4 | N3 | 0.2° | 0.6° |
C4 | C5 | C6 | N6 | 179.9° | 179.7° |
C4 | C5 | C6 | N1 | 0.2° | 0.3° |
C5 | C4 | N3 | C2 | 0.2° | 0.6° |
C6 | N6 | H61 | H62 | 125.3° | 179.9° |
N6 | C6 | N1 | C2 | 179.9° | 180.0° |
N1 | C6 | N6 | H61 | 0.4° | 0.0° |
N1 | C6 | N6 | H62 | 125.6° | 180.0° |
C6 | N1 | C2 | N3 | 0.3° | 0.0° |
C6 | N1 | C2 | H2 | 179.7° | 180.0° |
N1 | C2 | N3 | H2 | 180.0° | 180.0° |
N1 | C2 | N3 | C4 | 0.3° | 0.2° |
H2 | C2 | N3 | C4 | 179.7° | 179.7° |
C11 | C10 | H101 | H102 | 118.9° | 120.0° |
C10 | C11 | H111 | H112 | 125.2° | 120.0° |
C10 | C11 | H111 | H113 | 125.2° | 120.0° |
C10 | C11 | H112 | H113 | 118.9° | 120.0° |
H101 | C10 | C11 | H111 | 54.7° | 60.0° |
H101 | C10 | C11 | H112 | 179.9° | 60.0° |
H101 | C10 | C11 | H113 | 70.5° | 180.0° |
H102 | C10 | C11 | H111 | 54.7° | 60.0° |
H102 | C10 | C11 | H112 | 70.5° | 180.0° |
H102 | C10 | C11 | H113 | 179.9° | 60.0° |
H111 | C11 | H112 | H113 | 118.9° | 120.0° |