G47
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P | O1P | sing | 1.62Å | 1.49Å | |
P | O2P | doub | 1.50Å | 1.47Å | |
P | O3P | sing | 1.62Å | 1.60Å | |
P | O5' | sing | 1.62Å | 1.59Å | |
O1P | H1P | sing | 0.98Å | 0.95Å | |
O3P | H3P | sing | 0.98Å | 0.95Å | |
O5' | C5' | sing | 1.42Å | 1.42Å | |
C5' | C4' | sing | 1.52Å | 1.51Å | |
C5' | H5'1 | sing | 1.09Å | 1.12Å | |
C5' | H5'2 | sing | 1.09Å | 1.12Å | |
C4' | O4' | sing | 1.44Å | 1.45Å | |
C4' | C3' | sing | 1.52Å | 1.53Å | |
C4' | H4' | sing | 1.10Å | 1.11Å | |
O4' | C1' | sing | 1.44Å | 1.43Å | |
C3' | O3' | sing | 1.43Å | 1.44Å | |
C3' | C2' | sing | 1.51Å | 1.53Å | |
C3' | H3' | sing | 1.09Å | 1.12Å | |
O3' | HA | sing | 0.97Å | 0.95Å | |
C2' | C1' | sing | 1.52Å | 1.52Å | |
C2' | H2'1 | sing | 1.10Å | 1.11Å | |
C2' | H2'2 | sing | 1.09Å | 1.12Å | |
C1' | N9 | sing | 1.46Å | 1.46Å | |
C1' | H1' | sing | 1.10Å | 1.11Å | |
N9 | C8 | sing | 1.38Å | 1.37Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
C8 | N7 | doub | 1.32Å | 1.31Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
N7 | C5 | sing | 1.36Å | 1.39Å | Aromatic |
C5 | C6 | sing | 1.44Å | 1.43Å | |
C5 | C4 | doub | 1.37Å | 1.38Å | Aromatic |
C6 | O6 | doub | 1.22Å | 1.24Å | |
C6 | N1 | sing | 1.40Å | 1.38Å | |
N1 | C2 | sing | 1.41Å | 1.37Å | |
N1 | H1 | sing | 1.02Å | 1.02Å | |
C2 | N2 | sing | 1.37Å | 1.31Å | |
C2 | N3 | doub | 1.32Å | 1.32Å | |
N2 | C6A | sing | 1.43Å | 1.45Å | |
N2 | H2 | sing | 0.99Å | 1.02Å | |
N3 | C4 | sing | 1.35Å | 1.34Å | |
C6A | C7A | sing | 1.52Å | 1.48Å | |
C6A | H6A1 | sing | 1.10Å | 1.11Å | |
C6A | H6A2 | sing | 1.10Å | 1.12Å | |
C7A | SG | sing | 1.82Å | 1.79Å | |
C7A | H7A1 | sing | 1.09Å | 1.12Å | |
C7A | H7A2 | sing | 1.09Å | 1.11Å | |
HS1 | SG | sing | 1.34Å | 1.30Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1P | P | O2P | 120.4° | 115.3° |
O1P | P | O3P | 108.0° | 103.3° |
O1P | P | O5' | 110.0° | 103.7° |
P | O1P | H1P | 120.4° | 118.9° |
O2P | P | O3P | 110.0° | 115.0° |
O2P | P | O5' | 106.5° | 115.0° |
O3P | P | O5' | 100.1° | 102.9° |
P | O3P | H3P | 108.0° | 118.9° |
P | O5' | C5' | 120.6° | 118.5° |
O5' | C5' | C4' | 110.9° | 108.7° |
O5' | C5' | H5'1 | 111.7° | 109.2° |
O5' | C5' | H5'2 | 111.7° | 109.2° |
C4' | C5' | H5'1 | 111.7° | 110.1° |
C4' | C5' | H5'2 | 111.7° | 110.1° |
C5' | C4' | O4' | 111.4° | 108.0° |
C5' | C4' | C3' | 115.1° | 112.7° |
C5' | C4' | H4' | 108.1° | 109.4° |
H5'1 | C5' | H5'2 | 98.7° | 109.6° |
O4' | C4' | C3' | 105.9° | 106.8° |
O4' | C4' | H4' | 108.1° | 107.7° |
C4' | O4' | C1' | 110.2° | 108.7° |
C3' | C4' | H4' | 108.1° | 112.0° |
C4' | C3' | O3' | 107.6° | 109.6° |
C4' | C3' | C2' | 103.1° | 103.2° |
C4' | C3' | H3' | 111.5° | 114.0° |
O4' | C1' | C2' | 104.1° | 106.7° |
O4' | C1' | N9 | 106.3° | 110.0° |
O4' | C1' | H1' | 110.7° | 108.1° |
O3' | C3' | C2' | 111.4° | 108.4° |
O3' | C3' | H3' | 111.5° | 107.8° |
C3' | O3' | HA | 107.6° | 106.6° |
C2' | C3' | H3' | 111.4° | 113.7° |
C3' | C2' | C1' | 102.1° | 101.6° |
C3' | C2' | H2'1 | 115.0° | 110.0° |
C3' | C2' | H2'2 | 115.0° | 114.2° |
C1' | C2' | H2'1 | 115.0° | 110.5° |
C1' | C2' | H2'2 | 115.0° | 111.7° |
C2' | C1' | N9 | 114.2° | 114.3° |
C2' | C1' | H1' | 110.6° | 111.7° |
H2'1 | C2' | H2'2 | 95.5° | 108.7° |
N9 | C1' | H1' | 110.7° | 105.9° |
C1' | N9 | C8 | 125.8° | 126.1° |
C1' | N9 | C4 | 127.8° | 127.3° |
C8 | N9 | C4 | 106.4° | 106.6° |
N9 | C8 | N7 | 112.8° | 112.5° |
N9 | C8 | H8 | 123.6° | 122.0° |
N9 | C4 | C5 | 105.6° | 104.9° |
N9 | C4 | N3 | 126.0° | 126.0° |
N7 | C8 | H8 | 123.6° | 125.5° |
C8 | N7 | C5 | 104.4° | 103.9° |
N7 | C5 | C6 | 130.3° | 128.7° |
N7 | C5 | C4 | 110.7° | 112.1° |
C6 | C5 | C4 | 119.0° | 119.2° |
C5 | C6 | O6 | 129.0° | 123.8° |
C5 | C6 | N1 | 111.5° | 110.8° |
C5 | C4 | N3 | 128.3° | 129.1° |
O6 | C6 | N1 | 119.5° | 125.4° |
C6 | N1 | C2 | 124.3° | 125.3° |
C6 | N1 | H1 | 117.8° | 117.4° |
C2 | N1 | H1 | 117.8° | 117.4° |
N1 | C2 | N2 | 115.6° | 115.4° |
N1 | C2 | N3 | 124.8° | 122.6° |
N2 | C2 | N3 | 119.5° | 122.0° |
C2 | N2 | C6A | 124.1° | 120.4° |
C2 | N2 | H2 | 118.0° | 116.6° |
C2 | N3 | C4 | 111.9° | 113.0° |
C6A | N2 | H2 | 117.9° | 123.0° |
N2 | C6A | C7A | 108.4° | 113.0° |
N2 | C6A | H6A1 | 112.6° | 106.6° |
N2 | C6A | H6A2 | 112.6° | 108.0° |
C7A | C6A | H6A1 | 112.6° | 109.3° |
C7A | C6A | H6A2 | 112.6° | 112.0° |
C6A | C7A | SG | 113.2° | 112.2° |
C6A | C7A | H7A1 | 110.9° | 110.9° |
C6A | C7A | H7A2 | 110.9° | 109.5° |
H6A1 | C6A | H6A2 | 97.8° | 107.7° |
SG | C7A | H7A1 | 110.9° | 108.5° |
SG | C7A | H7A2 | 110.8° | 107.6° |
C7A | SG | HS1 | 109.5° | 95.9° |
H7A1 | C7A | H7A2 | 99.4° | 108.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1P | P | O2P | O3P | 126.5° | 120.1° |
O1P | P | O2P | O5' | 125.9° | 120.6° |
O1P | P | O3P | O5' | 115.0° | 107.7° |
O1P | P | O3P | H3P | 180.0° | 78.5° |
O1P | P | O5' | C5' | 50.4° | 53.2° |
O2P | P | O3P | O5' | 111.8° | 125.8° |
O2P | P | O1P | H1P | 179.9° | 48.8° |
O2P | P | O3P | H3P | 46.8° | 48.0° |
O2P | P | O5' | C5' | 177.6° | 180.0° |
O3P | P | O1P | H1P | 52.7° | 77.5° |
O3P | P | O5' | C5' | 63.1° | 54.2° |
O5' | P | O1P | H1P | 55.6° | 175.4° |
O5' | P | O3P | H3P | 65.0° | 173.9° |
P | O5' | C5' | C4' | 142.8° | 180.0° |
P | O5' | C5' | H5'1 | 17.5° | 59.9° |
P | O5' | C5' | H5'2 | 92.0° | 59.9° |
O5' | C5' | C4' | H5'1 | 125.3° | 119.6° |
O5' | C5' | C4' | H5'2 | 125.2° | 119.5° |
O5' | C5' | H5'1 | H5'2 | 117.6° | 119.6° |
O5' | C5' | C4' | O4' | 74.0° | 61.8° |
O5' | C5' | C4' | C3' | 46.6° | 179.5° |
O5' | C5' | C4' | H4' | 167.5° | 55.2° |
C4' | C5' | H5'1 | H5'2 | 117.6° | 121.2° |
C5' | C4' | O4' | C3' | 125.8° | 121.5° |
C5' | C4' | O4' | H4' | 118.6° | 118.0° |
C5' | C4' | C3' | H4' | 120.8° | 123.8° |
C5' | C4' | O4' | C1' | 128.0° | 116.0° |
C5' | C4' | C3' | O3' | 139.8° | 152.1° |
C5' | C4' | C3' | C2' | 102.4° | 92.6° |
C5' | C4' | C3' | H3' | 17.2° | 31.2° |
H5'1 | C5' | C4' | O4' | 51.3° | 57.8° |
H5'1 | C5' | C4' | C3' | 171.9° | 60.0° |
H5'1 | C5' | C4' | H4' | 67.3° | 174.7° |
H5'2 | C5' | C4' | O4' | 160.8° | 178.7° |
H5'2 | C5' | C4' | C3' | 78.6° | 60.9° |
H5'2 | C5' | C4' | H4' | 42.2° | 64.3° |
O4' | C4' | C3' | H4' | 115.6° | 117.7° |
O4' | C4' | C3' | O3' | 96.7° | 89.4° |
O4' | C4' | C3' | C2' | 21.1° | 25.9° |
O4' | C4' | C3' | H3' | 140.8° | 149.7° |
C4' | O4' | C1' | C2' | 24.9° | 17.3° |
C4' | O4' | C1' | N9 | 145.8° | 141.8° |
C4' | O4' | C1' | H1' | 94.1° | 103.1° |
C3' | C4' | O4' | C1' | 2.2° | 5.5° |
C4' | C3' | O3' | C2' | 112.3° | 111.9° |
C4' | C3' | O3' | H3' | 122.5° | 124.6° |
C4' | C3' | C2' | H3' | 119.7° | 123.9° |
C4' | C3' | O3' | HA | 180.0° | 46.6° |
C4' | C3' | C2' | C1' | 35.2° | 34.8° |
C4' | C3' | C2' | H2'1 | 160.4° | 82.2° |
C4' | C3' | C2' | H2'2 | 90.1° | 155.2° |
H4' | C4' | O4' | C1' | 113.4° | 126.0° |
H4' | C4' | C3' | O3' | 18.9° | 28.3° |
H4' | C4' | C3' | C2' | 136.8° | 143.6° |
H4' | C4' | C3' | H3' | 103.6° | 92.6° |
O4' | C1' | C2' | C3' | 37.0° | 32.7° |
O4' | C1' | C2' | N9 | 115.4° | 121.8° |
O4' | C1' | C2' | H1' | 118.9° | 117.9° |
O4' | C1' | C2' | H2'1 | 162.3° | 84.0° |
O4' | C1' | C2' | H2'2 | 88.2° | 154.9° |
O4' | C1' | N9 | H1' | 120.2° | 116.5° |
O4' | C1' | N9 | C8 | 59.7° | 33.5° |
O4' | C1' | N9 | C4 | 117.9° | 146.5° |
O3' | C3' | C2' | H3' | 125.2° | 119.9° |
O3' | C3' | C2' | C1' | 80.0° | 81.3° |
O3' | C3' | C2' | H2'1 | 45.3° | 161.6° |
O3' | C3' | C2' | H2'2 | 154.8° | 39.1° |
C2' | C3' | O3' | HA | 67.7° | 65.3° |
C3' | C2' | C1' | H2'1 | 125.3° | 116.7° |
C3' | C2' | C1' | H2'2 | 125.2° | 122.2° |
C3' | C2' | H2'1 | H2'2 | 120.9° | 125.7° |
C3' | C2' | C1' | N9 | 152.5° | 154.5° |
C3' | C2' | C1' | H1' | 81.9° | 85.2° |
H3' | C3' | O3' | HA | 57.5° | 171.2° |
H3' | C3' | C2' | C1' | 154.8° | 158.8° |
H3' | C3' | C2' | H2'1 | 79.9° | 41.7° |
H3' | C3' | C2' | H2'2 | 29.6° | 80.8° |
C1' | C2' | H2'1 | H2'2 | 120.9° | 122.9° |
C2' | C1' | N9 | H1' | 125.6° | 123.5° |
C2' | C1' | N9 | C8 | 54.5° | 86.6° |
C2' | C1' | N9 | C4 | 128.0° | 93.4° |
H2'1 | C2' | C1' | N9 | 82.3° | 37.8° |
H2'1 | C2' | C1' | H1' | 43.3° | 158.1° |
H2'2 | C2' | C1' | N9 | 27.2° | 83.3° |
H2'2 | C2' | C1' | H1' | 152.8° | 37.0° |
C1' | N9 | C8 | C4 | 178.0° | 180.0° |
C1' | N9 | C8 | N7 | 177.0° | 180.0° |
C1' | N9 | C8 | H8 | 3.0° | 0.0° |
C1' | N9 | C4 | C5 | 176.6° | 180.0° |
C1' | N9 | C4 | N3 | 3.5° | 0.0° |
H1' | C1' | N9 | C8 | 179.9° | 150.0° |
H1' | C1' | N9 | C4 | 2.4° | 30.0° |
N9 | C8 | N7 | H8 | 180.0° | 180.0° |
N9 | C8 | N7 | C5 | 0.1° | 0.0° |
C8 | N9 | C4 | C5 | 1.4° | 0.0° |
C8 | N9 | C4 | N3 | 178.5° | 180.0° |
C4 | N9 | C8 | N7 | 1.0° | 0.0° |
C4 | N9 | C8 | H8 | 179.0° | 180.0° |
N9 | C4 | C5 | N7 | 1.3° | 0.0° |
N9 | C4 | C5 | C6 | 179.6° | 180.0° |
N9 | C4 | C5 | N3 | 179.9° | 180.0° |
N9 | C4 | N3 | C2 | 179.2° | 180.0° |
C8 | N7 | C5 | C6 | 179.7° | 180.0° |
C8 | N7 | C5 | C4 | 0.8° | 0.0° |
H8 | C8 | N7 | C5 | 179.8° | 180.0° |
N7 | C5 | C6 | C4 | 178.9° | 179.9° |
N7 | C5 | C6 | O6 | 2.4° | 0.1° |
N7 | C5 | C6 | N1 | 177.8° | 180.0° |
N7 | C5 | C4 | N3 | 178.6° | 180.0° |
C5 | C6 | O6 | N1 | 179.8° | 179.9° |
C5 | C6 | N1 | C2 | 0.6° | 0.0° |
C5 | C6 | N1 | H1 | 179.4° | 180.0° |
C6 | C5 | C4 | N3 | 0.5° | 0.0° |
C4 | C5 | C6 | O6 | 178.8° | 180.0° |
C4 | C5 | C6 | N1 | 1.1° | 0.1° |
C5 | C4 | N3 | C2 | 0.7° | 0.0° |
O6 | C6 | N1 | C2 | 179.3° | 180.0° |
O6 | C6 | N1 | H1 | 0.7° | 0.1° |
C6 | N1 | C2 | H1 | 180.0° | 180.0° |
C6 | N1 | C2 | N2 | 178.8° | 180.0° |
C6 | N1 | C2 | N3 | 0.7° | 0.0° |
N1 | C2 | N2 | N3 | 179.5° | 180.0° |
N1 | C2 | N2 | C6A | 174.8° | 180.0° |
N1 | C2 | N2 | H2 | 5.2° | 0.0° |
N1 | C2 | N3 | C4 | 1.3° | 0.0° |
H1 | N1 | C2 | N2 | 1.2° | 0.0° |
H1 | N1 | C2 | N3 | 179.3° | 180.0° |
C2 | N2 | C6A | H2 | 180.0° | 180.0° |
N2 | C2 | N3 | C4 | 178.2° | 180.0° |
C2 | N2 | C6A | C7A | 87.2° | 179.9° |
C2 | N2 | C6A | H6A1 | 147.5° | 60.0° |
C2 | N2 | C6A | H6A2 | 38.1° | 55.4° |
N3 | C2 | N2 | C6A | 5.7° | 0.0° |
N3 | C2 | N2 | H2 | 174.4° | 180.0° |
N2 | C6A | C7A | H6A1 | 125.3° | 118.5° |
N2 | C6A | C7A | H6A2 | 125.3° | 122.2° |
N2 | C6A | H6A1 | H6A2 | 118.5° | 115.6° |
N2 | C6A | C7A | SG | 105.0° | 61.5° |
N2 | C6A | C7A | H7A1 | 129.7° | 60.0° |
N2 | C6A | C7A | H7A2 | 20.2° | 179.1° |
H2 | N2 | C6A | C7A | 92.8° | 0.1° |
H2 | N2 | C6A | H6A1 | 32.5° | 120.0° |
H2 | N2 | C6A | H6A2 | 141.9° | 124.5° |
C7A | C6A | H6A1 | H6A2 | 118.5° | 121.9° |
C6A | C7A | SG | H7A1 | 125.3° | 122.9° |
C6A | C7A | SG | H7A2 | 125.3° | 120.5° |
C6A | C7A | H7A1 | H7A2 | 116.7° | 120.0° |
C6A | C7A | SG | HS1 | 54.5° | 160.8° |
H6A1 | C6A | C7A | SG | 20.2° | 180.0° |
H6A1 | C6A | C7A | H7A1 | 105.1° | 58.5° |
H6A1 | C6A | C7A | H7A2 | 145.5° | 60.7° |
H6A2 | C6A | C7A | SG | 129.7° | 60.7° |
H6A2 | C6A | C7A | H7A1 | 4.4° | 177.8° |
H6A2 | C6A | C7A | H7A2 | 105.0° | 58.7° |
SG | C7A | H7A1 | H7A2 | 116.7° | 116.4° |
H7A1 | C7A | SG | HS1 | 179.8° | 37.9° |
H7A2 | C7A | SG | HS1 | 70.8° | 78.7° |