Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3P | P | doub | 1.48Å | 1.49Å | |
P | O1P | sing | 1.61Å | 1.51Å | |
P | O2P | sing | 1.61Å | 1.59Å | |
P | O5' | sing | 1.61Å | 1.61Å | |
O1P | H1P | sing | 0.97Å | 0.95Å | |
O2P | H2P | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.46Å | |
C5' | C4' | sing | 1.53Å | 1.50Å | |
C5' | H5'1 | sing | 1.09Å | 1.12Å | |
C5' | H5'2 | sing | 1.09Å | 1.12Å | |
C4' | O4' | sing | 1.45Å | 1.40Å | |
C4' | C3' | sing | 1.55Å | 1.56Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
O4' | C1' | sing | 1.44Å | 1.44Å | |
C3' | O3' | sing | 1.43Å | 1.40Å | |
C3' | C2' | sing | 1.55Å | 1.52Å | |
C3' | H3' | sing | 1.09Å | 1.12Å | |
O3' | HA | sing | 0.97Å | 0.95Å | |
C2' | C1' | sing | 1.54Å | 1.51Å | |
C2' | H2'1 | sing | 1.09Å | 1.11Å | |
C2' | H2'2 | sing | 1.09Å | 1.11Å | |
C1' | N9 | sing | 1.47Å | 1.47Å | |
C1' | H1' | sing | 1.09Å | 1.11Å | |
N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.32Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
N7 | C5 | sing | 1.36Å | 1.39Å | Aromatic |
C5 | C6 | doub | 1.40Å | 1.42Å | Aromatic |
C5 | C4 | sing | 1.41Å | 1.37Å | Aromatic |
C6 | O6 | sing | 1.35Å | 1.43Å | |
C6 | N1 | sing | 1.33Å | 1.36Å | Aromatic |
O6 | C6M | sing | 1.43Å | 1.43Å | |
N1 | C2 | doub | 1.33Å | 1.36Å | Aromatic |
C2 | N2 | sing | 1.39Å | 1.34Å | |
C2 | N3 | sing | 1.32Å | 1.33Å | Aromatic |
N2 | H2N1 | sing | 0.97Å | 1.02Å | |
N2 | H2N2 | sing | 0.97Å | 1.02Å | |
N3 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
C6M | H6M1 | sing | 1.09Å | 1.11Å | |
C6M | H6M2 | sing | 1.09Å | 1.12Å | |
C6M | H6M3 | sing | 1.09Å | 1.11Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3P | P | O1P | 112.2° | 109.5° |
O3P | P | O2P | 104.5° | 109.5° |
O3P | P | O5' | 113.5° | 109.5° |
O1P | P | O2P | 111.7° | 109.5° |
O1P | P | O5' | 110.6° | 109.5° |
P | O1P | H1P | 112.2° | 106.9° |
O2P | P | O5' | 103.9° | 109.4° |
P | O2P | H2P | 104.5° | 106.8° |
P | O5' | C5' | 117.4° | 106.8° |
O5' | C5' | C4' | 106.0° | 109.5° |
O5' | C5' | H5'1 | 113.5° | 109.5° |
O5' | C5' | H5'2 | 113.5° | 109.5° |
C4' | C5' | H5'1 | 113.5° | 109.5° |
C4' | C5' | H5'2 | 113.5° | 109.5° |
C5' | C4' | O4' | 114.0° | 110.8° |
C5' | C4' | C3' | 113.9° | 110.6° |
C5' | C4' | H4' | 108.2° | 110.6° |
H5'1 | C5' | H5'2 | 97.0° | 109.5° |
O4' | C4' | C3' | 104.0° | 103.6° |
O4' | C4' | H4' | 108.2° | 110.5° |
C4' | O4' | C1' | 111.3° | 106.8° |
C3' | C4' | H4' | 108.2° | 110.6° |
C4' | C3' | O3' | 110.0° | 110.9° |
C4' | C3' | C2' | 101.2° | 102.1° |
C4' | C3' | H3' | 108.1° | 110.9° |
O4' | C1' | C2' | 106.1° | 107.5° |
O4' | C1' | N9 | 111.4° | 109.9° |
O4' | C1' | H1' | 109.0° | 109.9° |
O3' | C3' | C2' | 120.8° | 110.9° |
O3' | C3' | H3' | 108.1° | 110.8° |
C3' | O3' | HA | 110.0° | 106.8° |
C2' | C3' | H3' | 108.1° | 110.9° |
C3' | C2' | C1' | 102.8° | 104.2° |
C3' | C2' | H2'1 | 114.7° | 110.5° |
C3' | C2' | H2'2 | 114.7° | 110.5° |
C1' | C2' | H2'1 | 114.7° | 110.5° |
C1' | C2' | H2'2 | 114.7° | 110.5° |
C2' | C1' | N9 | 112.2° | 109.9° |
C2' | C1' | H1' | 109.0° | 109.9° |
H2'1 | C2' | H2'2 | 95.8° | 110.5° |
N9 | C1' | H1' | 109.0° | 109.9° |
C1' | N9 | C8 | 129.7° | 126.3° |
C1' | N9 | C4 | 124.6° | 126.2° |
C8 | N9 | C4 | 105.6° | 107.5° |
N9 | C8 | N7 | 113.8° | 109.9° |
N9 | C8 | H8 | 123.1° | 125.0° |
N9 | C4 | C5 | 106.2° | 106.0° |
N9 | C4 | N3 | 126.2° | 134.9° |
N7 | C8 | H8 | 123.1° | 125.1° |
C8 | N7 | C5 | 103.8° | 109.5° |
N7 | C5 | C6 | 131.3° | 134.6° |
N7 | C5 | C4 | 110.6° | 107.1° |
C6 | C5 | C4 | 118.2° | 118.3° |
C5 | C6 | O6 | 127.7° | 120.7° |
C5 | C6 | N1 | 114.4° | 118.6° |
C5 | C4 | N3 | 127.6° | 119.1° |
O6 | C6 | N1 | 117.9° | 120.7° |
C6 | O6 | C6M | 118.9° | 106.8° |
C6 | N1 | C2 | 122.2° | 121.2° |
O6 | C6M | H6M1 | 118.9° | 109.5° |
O6 | C6M | H6M2 | 108.8° | 109.5° |
O6 | C6M | H6M3 | 108.8° | 109.5° |
N1 | C2 | N2 | 114.9° | 118.9° |
N1 | C2 | N3 | 125.6° | 122.2° |
N2 | C2 | N3 | 119.4° | 118.9° |
C2 | N2 | H2N1 | 114.9° | 120.0° |
C2 | N2 | H2N2 | 119.4° | 120.0° |
C2 | N3 | C4 | 111.9° | 120.5° |
H2N1 | N2 | H2N2 | 125.6° | 120.0° |
H6M1 | C6M | H6M2 | 108.8° | 109.5° |
H6M1 | C6M | H6M3 | 108.8° | 109.4° |
H6M2 | C6M | H6M3 | 101.2° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3P | P | O1P | O2P | 116.9° | 120.0° |
O3P | P | O1P | O5' | 127.9° | 120.0° |
O3P | P | O2P | O5' | 119.2° | 120.0° |
O3P | P | O1P | H1P | 180.0° | 179.9° |
O3P | P | O2P | H2P | 180.0° | 60.1° |
O3P | P | O5' | C5' | 168.5° | 55.0° |
O1P | P | O2P | O5' | 119.3° | 120.0° |
O1P | P | O2P | H2P | 58.5° | 60.0° |
O1P | P | O5' | C5' | 64.4° | 65.0° |
O2P | P | O1P | H1P | 63.1° | 59.9° |
O2P | P | O5' | C5' | 55.6° | 175.0° |
O5' | P | O1P | H1P | 52.2° | 60.1° |
O5' | P | O2P | H2P | 60.8° | 179.9° |
P | O5' | C5' | C4' | 143.7° | 180.0° |
P | O5' | C5' | H5'1 | 91.0° | 60.0° |
P | O5' | C5' | H5'2 | 18.5° | 60.0° |
O5' | C5' | C4' | H5'1 | 125.3° | 120.0° |
O5' | C5' | C4' | H5'2 | 125.3° | 120.0° |
O5' | C5' | H5'1 | H5'2 | 119.4° | 120.0° |
O5' | C5' | C4' | O4' | 92.9° | 70.7° |
O5' | C5' | C4' | C3' | 26.3° | 175.0° |
O5' | C5' | C4' | H4' | 146.7° | 52.2° |
C4' | C5' | H5'1 | H5'2 | 119.4° | 120.0° |
C5' | C4' | O4' | C3' | 124.6° | 118.7° |
C5' | C4' | O4' | H4' | 120.4° | 122.9° |
C5' | C4' | C3' | H4' | 120.4° | 122.8° |
C5' | C4' | O4' | C1' | 104.3° | 158.5° |
C5' | C4' | C3' | O3' | 141.8° | 86.1° |
C5' | C4' | C3' | C2' | 89.4° | 155.7° |
C5' | C4' | C3' | H3' | 24.0° | 37.5° |
H5'1 | C5' | C4' | O4' | 32.4° | 169.3° |
H5'1 | C5' | C4' | C3' | 151.5° | 55.0° |
H5'1 | C5' | C4' | H4' | 88.1° | 67.9° |
H5'2 | C5' | C4' | O4' | 141.9° | 49.3° |
H5'2 | C5' | C4' | C3' | 99.0° | 65.0° |
H5'2 | C5' | C4' | H4' | 21.4° | 172.2° |
O4' | C4' | C3' | H4' | 114.9° | 118.4° |
O4' | C4' | C3' | O3' | 93.5° | 155.1° |
O4' | C4' | C3' | C2' | 35.3° | 36.9° |
O4' | C4' | C3' | H3' | 148.7° | 81.3° |
C4' | O4' | C1' | C2' | 3.0° | 26.3° |
C4' | O4' | C1' | N9 | 125.4° | 145.8° |
C4' | O4' | C1' | H1' | 114.2° | 93.2° |
C3' | C4' | O4' | C1' | 20.4° | 39.8° |
C4' | C3' | O3' | C2' | 117.1° | 112.8° |
C4' | C3' | O3' | H3' | 117.8° | 123.6° |
C4' | C3' | C2' | H3' | 113.4° | 118.2° |
C4' | C3' | O3' | HA | 180.0° | 174.2° |
C4' | C3' | C2' | C1' | 36.4° | 20.8° |
C4' | C3' | C2' | H2'1 | 161.7° | 97.8° |
C4' | C3' | C2' | H2'2 | 88.8° | 139.6° |
H4' | C4' | O4' | C1' | 135.3° | 78.6° |
H4' | C4' | C3' | O3' | 21.4° | 36.7° |
H4' | C4' | C3' | C2' | 150.2° | 81.5° |
H4' | C4' | C3' | H3' | 96.4° | 160.3° |
O4' | C1' | C2' | C3' | 25.7° | 2.0° |
O4' | C1' | C2' | N9 | 121.9° | 119.5° |
O4' | C1' | C2' | H1' | 117.3° | 119.5° |
O4' | C1' | C2' | H2'1 | 151.0° | 120.6° |
O4' | C1' | C2' | H2'2 | 99.5° | 116.7° |
O4' | C1' | N9 | H1' | 120.4° | 121.0° |
O4' | C1' | N9 | C8 | 107.5° | 23.3° |
O4' | C1' | N9 | C4 | 72.0° | 156.7° |
O3' | C3' | C2' | H3' | 125.1° | 123.6° |
O3' | C3' | C2' | C1' | 85.1° | 139.1° |
O3' | C3' | C2' | H2'1 | 40.2° | 20.5° |
O3' | C3' | C2' | H2'2 | 149.7° | 102.2° |
C2' | C3' | O3' | HA | 62.8° | 61.5° |
C3' | C2' | C1' | H2'1 | 125.3° | 118.7° |
C3' | C2' | C1' | H2'2 | 125.2° | 118.7° |
C3' | C2' | H2'1 | H2'2 | 120.6° | 122.6° |
C3' | C2' | C1' | N9 | 147.6° | 121.5° |
C3' | C2' | C1' | H1' | 91.5° | 117.6° |
H3' | C3' | O3' | HA | 62.2° | 62.2° |
H3' | C3' | C2' | C1' | 149.9° | 97.3° |
H3' | C3' | C2' | H2'1 | 84.9° | 144.0° |
H3' | C3' | C2' | H2'2 | 24.6° | 21.4° |
C1' | C2' | H2'1 | H2'2 | 120.6° | 122.7° |
C2' | C1' | N9 | H1' | 120.8° | 121.0° |
C2' | C1' | N9 | C8 | 11.3° | 94.7° |
C2' | C1' | N9 | C4 | 169.1° | 85.3° |
H2'1 | C2' | C1' | N9 | 87.1° | 119.9° |
H2'1 | C2' | C1' | H1' | 33.7° | 1.1° |
H2'2 | C2' | C1' | N9 | 22.4° | 2.8° |
H2'2 | C2' | C1' | H1' | 143.2° | 123.8° |
C1' | N9 | C8 | C4 | 179.6° | 180.0° |
C1' | N9 | C8 | N7 | 179.6° | 180.0° |
C1' | N9 | C8 | H8 | 0.4° | 0.0° |
C1' | N9 | C4 | C5 | 179.9° | 179.8° |
C1' | N9 | C4 | N3 | 0.4° | 0.1° |
H1' | C1' | N9 | C8 | 132.1° | 144.3° |
H1' | C1' | N9 | C4 | 48.3° | 35.7° |
N9 | C8 | N7 | H8 | 180.0° | 180.0° |
N9 | C8 | N7 | C5 | 0.9° | 0.2° |
C8 | N9 | C4 | C5 | 0.3° | 0.3° |
C8 | N9 | C4 | N3 | 179.2° | 180.0° |
C4 | N9 | C8 | N7 | 0.8° | 0.0° |
C4 | N9 | C8 | H8 | 179.2° | 180.0° |
N9 | C4 | C5 | N7 | 0.3° | 0.4° |
N9 | C4 | C5 | C6 | 179.2° | 179.7° |
N9 | C4 | C5 | N3 | 179.5° | 179.8° |
N9 | C4 | N3 | C2 | 179.8° | 180.0° |
C8 | N7 | C5 | C6 | 178.7° | 179.5° |
C8 | N7 | C5 | C4 | 0.7° | 0.4° |
H8 | C8 | N7 | C5 | 179.1° | 179.7° |
N7 | C5 | C6 | C4 | 179.4° | 179.0° |
N7 | C5 | C6 | O6 | 0.2° | 0.7° |
N7 | C5 | C6 | N1 | 179.7° | 179.6° |
N7 | C5 | C4 | N3 | 179.8° | 179.8° |
C5 | C6 | O6 | N1 | 179.4° | 179.7° |
C5 | C6 | O6 | C6M | 8.2° | 179.7° |
C5 | C6 | N1 | C2 | 0.3° | 0.3° |
C6 | C5 | C4 | N3 | 0.3° | 0.5° |
C4 | C5 | C6 | O6 | 179.2° | 179.8° |
C4 | C5 | C6 | N1 | 0.3° | 0.5° |
C5 | C4 | N3 | C2 | 0.4° | 0.3° |
O6 | C6 | N1 | C2 | 179.8° | 180.0° |
C6 | O6 | C6M | H6M1 | 180.0° | 60.0° |
C6 | O6 | C6M | H6M2 | 54.7° | 60.0° |
C6 | O6 | C6M | H6M3 | 54.7° | 180.0° |
N1 | C6 | O6 | C6M | 171.2° | 0.0° |
C6 | N1 | C2 | N2 | 179.6° | 179.9° |
C6 | N1 | C2 | N3 | 1.1° | 0.0° |
O6 | C6M | H6M1 | H6M2 | 125.3° | 120.1° |
O6 | C6M | H6M1 | H6M3 | 125.3° | 120.0° |
O6 | C6M | H6M2 | H6M3 | 114.5° | 120.0° |
N1 | C2 | N2 | N3 | 179.4° | 179.9° |
N1 | C2 | N2 | H2N1 | 180.0° | 0.1° |
N1 | C2 | N2 | H2N2 | 0.6° | 180.0° |
N1 | C2 | N3 | C4 | 1.0° | 0.0° |
C2 | N2 | H2N1 | H2N2 | 179.3° | 179.9° |
N2 | C2 | N3 | C4 | 179.7° | 180.0° |
N3 | C2 | N2 | H2N1 | 0.6° | 180.0° |
N3 | C2 | N2 | H2N2 | 180.0° | 0.1° |
H6M1 | C6M | H6M2 | H6M3 | 114.5° | 119.9° |