Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
PG | N3B | sing | 1.68Å | 1.66Å | |
PG | O1G | doub | 1.48Å | 1.47Å | |
PG | O2G | sing | 1.61Å | 1.45Å | |
PG | O3G | sing | 1.61Å | 1.60Å | |
N3B | PB | sing | 1.68Å | 1.67Å | |
N3B | H3B | sing | 1.01Å | 1.02Å | |
O2G | HOG2 | sing | 0.97Å | 0.95Å | |
O3G | HOG3 | sing | 0.97Å | 0.95Å | |
PB | O1B | doub | 1.48Å | 1.46Å | |
PB | O2B | sing | 1.61Å | 1.46Å | |
PB | O3A | sing | 1.61Å | 1.59Å | |
O2B | HOB2 | sing | 0.97Å | 0.95Å | |
PA | O1A | doub | 1.48Å | 1.47Å | |
PA | O2A | sing | 1.61Å | 1.50Å | |
PA | O3A | sing | 1.61Å | 1.65Å | |
PA | O5' | sing | 1.61Å | 1.58Å | |
O2A | HOA2 | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.42Å | |
C5' | C4' | sing | 1.53Å | 1.52Å | |
C5' | H5'1 | sing | 1.09Å | 1.11Å | |
C5' | H5'2 | sing | 1.09Å | 1.12Å | |
C4' | O4' | sing | 1.44Å | 1.45Å | |
C4' | C3' | sing | 1.55Å | 1.53Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
O4' | C1' | sing | 1.44Å | 1.42Å | |
C3' | O3' | sing | 1.43Å | 1.42Å | |
C3' | C2' | sing | 1.55Å | 1.51Å | |
C3' | H3'1 | sing | 1.09Å | 1.12Å | |
O3' | H3'2 | sing | 0.97Å | 0.95Å | |
C2' | O2' | sing | 1.43Å | 1.43Å | |
C2' | C1' | sing | 1.54Å | 1.54Å | |
C2' | H2'1 | sing | 1.09Å | 1.12Å | |
O2' | H2'2 | sing | 0.97Å | 0.95Å | |
C1' | N9 | sing | 1.46Å | 1.47Å | |
C1' | H1' | sing | 1.09Å | 1.11Å | |
N9 | C8 | sing | 1.36Å | 1.39Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
N7 | C5 | sing | 1.36Å | 1.39Å | Aromatic |
C5 | C6 | sing | 1.41Å | 1.39Å | Aromatic |
C5 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
C6 | O6 | doub | 1.22Å | 1.21Å | |
C6 | N1 | sing | 1.35Å | 1.36Å | Aromatic |
N1 | C2 | sing | 1.36Å | 1.37Å | Aromatic |
N1 | H1 | sing | 0.97Å | 1.02Å | |
C2 | N2 | sing | 1.37Å | 1.34Å | |
C2 | N3 | doub | 1.31Å | 1.32Å | Aromatic |
N2 | H21 | sing | 0.97Å | 1.02Å | |
N2 | H22 | sing | 0.97Å | 1.02Å | |
N3 | C4 | sing | 1.34Å | 1.35Å | Aromatic |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N3B | PG | O1G | 114.1° | 109.5° |
N3B | PG | O2G | 118.2° | 109.4° |
N3B | PG | O3G | 109.2° | 109.5° |
PG | N3B | PB | 124.3° | 106.7° |
PG | N3B | H3B | 106.9° | 106.7° |
O1G | PG | O2G | 111.0° | 109.5° |
O1G | PG | O3G | 102.8° | 109.5° |
O2G | PG | O3G | 99.3° | 109.5° |
PG | O2G | HOG2 | 118.2° | 106.7° |
PG | O3G | HOG3 | 109.2° | 106.8° |
PB | N3B | H3B | 107.0° | 106.7° |
N3B | PB | O1B | 113.6° | 109.5° |
N3B | PB | O2B | 116.8° | 109.5° |
N3B | PB | O3A | 106.0° | 109.5° |
O1B | PB | O2B | 111.2° | 109.5° |
O1B | PB | O3A | 105.7° | 109.5° |
O2B | PB | O3A | 102.2° | 109.5° |
PB | O2B | HOB2 | 116.8° | 106.8° |
PB | O3A | PA | 129.7° | 106.8° |
O1A | PA | O2A | 120.8° | 109.5° |
O1A | PA | O3A | 109.3° | 109.4° |
O1A | PA | O5' | 104.9° | 109.4° |
O2A | PA | O3A | 112.3° | 109.4° |
O2A | PA | O5' | 107.8° | 109.5° |
PA | O2A | HOA2 | 120.8° | 106.8° |
O3A | PA | O5' | 99.3° | 109.5° |
PA | O5' | C5' | 125.7° | 106.8° |
O5' | C5' | C4' | 108.5° | 109.5° |
O5' | C5' | H5'1 | 112.6° | 109.5° |
O5' | C5' | H5'2 | 112.5° | 109.5° |
C4' | C5' | H5'1 | 112.6° | 109.5° |
C4' | C5' | H5'2 | 112.6° | 109.5° |
C5' | C4' | O4' | 112.8° | 110.4° |
C5' | C4' | C3' | 111.3° | 110.5° |
C5' | C4' | H4' | 105.0° | 110.4° |
H5'1 | C5' | H5'2 | 97.9° | 109.5° |
O4' | C4' | C3' | 106.5° | 104.8° |
O4' | C4' | H4' | 109.9° | 110.4° |
C4' | O4' | C1' | 109.4° | 105.3° |
C3' | C4' | H4' | 111.4° | 110.3° |
C4' | C3' | O3' | 111.4° | 110.5° |
C4' | C3' | C2' | 102.2° | 104.1° |
C4' | C3' | H3'1 | 112.6° | 110.5° |
O4' | C1' | C2' | 103.7° | 104.9° |
O4' | C1' | N9 | 103.8° | 110.4° |
O4' | C1' | H1' | 116.9° | 110.3° |
O3' | C3' | C2' | 108.5° | 110.6° |
O3' | C3' | H3'1 | 106.8° | 110.5° |
C3' | O3' | H3'2 | 111.4° | 106.8° |
C2' | C3' | H3'1 | 115.3° | 110.6° |
C3' | C2' | O2' | 111.4° | 110.5° |
C3' | C2' | C1' | 101.4° | 104.0° |
C3' | C2' | H2'1 | 114.5° | 110.5° |
O2' | C2' | C1' | 112.4° | 110.8° |
O2' | C2' | H2'1 | 104.0° | 110.5° |
C2' | O2' | H2'2 | 111.3° | 106.8° |
C1' | C2' | H2'1 | 113.6° | 110.4° |
C2' | C1' | N9 | 110.5° | 110.4° |
C2' | C1' | H1' | 110.8° | 110.4° |
N9 | C1' | H1' | 110.7° | 110.3° |
C1' | N9 | C8 | 128.8° | 126.3° |
C1' | N9 | C4 | 126.5° | 126.3° |
C8 | N9 | C4 | 104.7° | 107.5° |
N9 | C8 | N7 | 115.0° | 109.8° |
N9 | C8 | H8 | 125.6° | 125.1° |
N9 | C4 | C5 | 106.1° | 106.1° |
N9 | C4 | N3 | 125.1° | 134.2° |
N7 | C8 | H8 | 119.5° | 125.1° |
C8 | N7 | C5 | 102.9° | 109.3° |
N7 | C5 | C6 | 130.0° | 134.1° |
N7 | C5 | C4 | 111.2° | 107.3° |
C6 | C5 | C4 | 118.7° | 118.6° |
C5 | C6 | O6 | 129.0° | 120.8° |
C5 | C6 | N1 | 112.0° | 118.3° |
C5 | C4 | N3 | 128.7° | 119.7° |
O6 | C6 | N1 | 119.0° | 120.8° |
C6 | N1 | C2 | 126.0° | 120.3° |
C6 | N1 | H1 | 116.4° | 119.8° |
C2 | N1 | H1 | 117.5° | 119.8° |
N1 | C2 | N2 | 116.4° | 119.0° |
N1 | C2 | N3 | 122.8° | 121.9° |
N2 | C2 | N3 | 120.7° | 119.1° |
C2 | N2 | H21 | 116.4° | 119.9° |
C2 | N2 | H22 | 109.6° | 120.0° |
C2 | N3 | C4 | 111.5° | 121.1° |
H21 | N2 | H22 | 109.7° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N3B | PG | O1G | O2G | 136.5° | 120.0° |
N3B | PG | O1G | O3G | 118.1° | 120.0° |
N3B | PG | O2G | O3G | 117.8° | 120.0° |
PG | N3B | PB | H3B | 125.2° | 113.7° |
N3B | PG | O2G | HOG2 | 179.9° | 180.0° |
N3B | PG | O3G | HOG3 | 179.9° | 60.0° |
PG | N3B | PB | O1B | 82.8° | 60.0° |
PG | N3B | PB | O2B | 48.6° | 60.0° |
PG | N3B | PB | O3A | 161.6° | 180.0° |
O1G | PG | O2G | O3G | 107.7° | 120.1° |
O1G | PG | N3B | PB | 174.4° | 60.0° |
O1G | PG | N3B | H3B | 60.4° | 53.8° |
O1G | PG | O2G | HOG2 | 45.5° | 60.0° |
O1G | PG | O3G | HOG3 | 58.5° | 180.0° |
O2G | PG | N3B | PB | 41.1° | 180.0° |
O2G | PG | N3B | H3B | 166.4° | 66.2° |
O2G | PG | O3G | HOG3 | 55.6° | 60.0° |
O3G | PG | N3B | PB | 71.3° | 60.1° |
O3G | PG | N3B | H3B | 54.0° | 173.8° |
O3G | PG | O2G | HOG2 | 62.1° | 60.0° |
N3B | PB | O1B | O2B | 134.1° | 120.0° |
N3B | PB | O1B | O3A | 115.7° | 120.0° |
N3B | PB | O2B | O3A | 115.1° | 120.0° |
N3B | PB | O2B | HOB2 | 180.0° | 60.0° |
N3B | PB | O3A | PA | 91.9° | 180.0° |
H3B | N3B | PB | O1B | 42.4° | 53.8° |
H3B | N3B | PB | O2B | 173.8° | 173.7° |
H3B | N3B | PB | O3A | 73.1° | 66.3° |
O1B | PB | O2B | O3A | 112.3° | 120.0° |
O1B | PB | O2B | HOB2 | 47.4° | 180.0° |
O1B | PB | O3A | PA | 147.3° | 60.0° |
O2B | PB | O3A | PA | 30.9° | 60.0° |
O3A | PB | O2B | HOB2 | 64.9° | 60.0° |
PB | O3A | PA | O1A | 84.5° | 60.0° |
PB | O3A | PA | O2A | 52.3° | 60.0° |
PB | O3A | PA | O5' | 166.0° | 180.0° |
O1A | PA | O2A | O3A | 131.3° | 120.0° |
O1A | PA | O2A | O5' | 120.3° | 120.0° |
O1A | PA | O3A | O5' | 109.5° | 120.0° |
O1A | PA | O2A | HOA2 | 180.0° | 180.0° |
O1A | PA | O5' | C5' | 173.4° | 60.0° |
O2A | PA | O3A | O5' | 113.7° | 120.1° |
O2A | PA | O5' | C5' | 56.7° | 60.0° |
O3A | PA | O2A | HOA2 | 48.7° | 60.0° |
O3A | PA | O5' | C5' | 60.5° | 180.0° |
O5' | PA | O2A | HOA2 | 59.7° | 60.0° |
PA | O5' | C5' | C4' | 162.9° | 180.0° |
PA | O5' | C5' | H5'1 | 37.6° | 59.9° |
PA | O5' | C5' | H5'2 | 71.9° | 60.0° |
O5' | C5' | C4' | H5'1 | 125.3° | 120.0° |
O5' | C5' | C4' | H5'2 | 125.2° | 120.0° |
O5' | C5' | H5'1 | H5'2 | 118.4° | 120.0° |
O5' | C5' | C4' | O4' | 62.7° | 61.5° |
O5' | C5' | C4' | C3' | 56.9° | 176.9° |
O5' | C5' | C4' | H4' | 177.6° | 60.9° |
C4' | C5' | H5'1 | H5'2 | 118.6° | 120.0° |
C5' | C4' | O4' | C3' | 122.4° | 118.9° |
C5' | C4' | O4' | H4' | 116.7° | 122.3° |
C5' | C4' | C3' | H4' | 116.8° | 122.3° |
C5' | C4' | O4' | C1' | 125.8° | 159.4° |
C5' | C4' | C3' | O3' | 143.0° | 98.3° |
C5' | C4' | C3' | C2' | 101.2° | 142.9° |
C5' | C4' | C3' | H3'1 | 23.1° | 24.2° |
H5'1 | C5' | C4' | O4' | 172.0° | 178.5° |
H5'1 | C5' | C4' | C3' | 68.3° | 63.1° |
H5'1 | C5' | C4' | H4' | 52.4° | 59.2° |
H5'2 | C5' | C4' | O4' | 62.5° | 58.5° |
H5'2 | C5' | C4' | C3' | 177.8° | 56.9° |
H5'2 | C5' | C4' | H4' | 57.2° | 179.2° |
O4' | C4' | C3' | H4' | 119.9° | 118.8° |
O4' | C4' | C3' | O3' | 93.7° | 142.8° |
O4' | C4' | C3' | C2' | 22.1° | 24.1° |
O4' | C4' | C3' | H3'1 | 146.4° | 94.7° |
C4' | O4' | C1' | C2' | 27.1° | 40.4° |
C4' | O4' | C1' | N9 | 142.7° | 159.4° |
C4' | O4' | C1' | H1' | 95.1° | 78.4° |
C3' | C4' | O4' | C1' | 3.4° | 40.5° |
C4' | C3' | O3' | C2' | 111.8° | 114.7° |
C4' | C3' | O3' | H3'1 | 123.3° | 122.6° |
C4' | C3' | C2' | H3'1 | 122.5° | 118.6° |
C4' | C3' | O3' | H3'2 | 180.0° | 180.0° |
C4' | C3' | C2' | O2' | 156.7° | 118.8° |
C4' | C3' | C2' | C1' | 37.0° | 0.1° |
C4' | C3' | C2' | H2'1 | 85.7° | 118.6° |
H4' | C4' | O4' | C1' | 117.5° | 78.3° |
H4' | C4' | C3' | O3' | 26.2° | 23.9° |
H4' | C4' | C3' | C2' | 142.0° | 94.8° |
H4' | C4' | C3' | H3'1 | 93.7° | 146.5° |
O4' | C1' | C2' | C3' | 40.1° | 23.8° |
O4' | C1' | C2' | O2' | 159.1° | 142.6° |
O4' | C1' | C2' | N9 | 110.7° | 118.9° |
O4' | C1' | C2' | H1' | 126.2° | 118.8° |
O4' | C1' | C2' | H2'1 | 83.2° | 94.7° |
O4' | C1' | N9 | H1' | 126.2° | 122.2° |
O4' | C1' | N9 | C8 | 59.2° | 27.0° |
O4' | C1' | N9 | C4 | 119.6° | 153.0° |
O3' | C3' | C2' | H3'1 | 119.7° | 122.7° |
O3' | C3' | C2' | O2' | 38.8° | 0.1° |
O3' | C3' | C2' | C1' | 80.8° | 118.8° |
O3' | C3' | C2' | H2'1 | 156.5° | 122.7° |
C2' | C3' | O3' | H3'2 | 68.2° | 65.3° |
C3' | C2' | O2' | C1' | 112.9° | 114.8° |
C3' | C2' | O2' | H2'1 | 123.8° | 122.6° |
C3' | C2' | C1' | H2'1 | 123.3° | 118.6° |
C3' | C2' | O2' | H2'2 | 180.0° | 61.5° |
C3' | C2' | C1' | N9 | 150.8° | 142.8° |
C3' | C2' | C1' | H1' | 86.1° | 95.0° |
H3'1 | C3' | O3' | H3'2 | 56.7° | 57.4° |
H3'1 | C3' | C2' | O2' | 80.9° | 122.6° |
H3'1 | C3' | C2' | C1' | 159.4° | 118.5° |
H3'1 | C3' | C2' | H2'1 | 36.8° | 0.0° |
O2' | C2' | C1' | H2'1 | 117.7° | 122.7° |
O2' | C2' | C1' | N9 | 90.2° | 98.5° |
O2' | C2' | C1' | H1' | 32.9° | 23.8° |
C1' | C2' | O2' | H2'2 | 67.1° | 176.2° |
C2' | C1' | N9 | H1' | 123.1° | 122.3° |
C2' | C1' | N9 | C8 | 51.4° | 88.5° |
C2' | C1' | N9 | C4 | 129.8° | 91.5° |
H2'1 | C2' | O2' | H2'2 | 56.1° | 61.2° |
H2'1 | C2' | C1' | N9 | 27.5° | 24.2° |
H2'1 | C2' | C1' | H1' | 150.6° | 146.4° |
C1' | N9 | C8 | C4 | 179.0° | 180.0° |
C1' | N9 | C8 | N7 | 178.3° | 180.0° |
C1' | N9 | C8 | H8 | 1.7° | 0.0° |
C1' | N9 | C4 | C5 | 179.7° | 180.0° |
C1' | N9 | C4 | N3 | 2.2° | 0.0° |
H1' | C1' | N9 | C8 | 174.6° | 149.3° |
H1' | C1' | N9 | C4 | 6.6° | 30.8° |
N9 | C8 | N7 | H8 | 180.0° | 180.0° |
N9 | C8 | N7 | C5 | 1.7° | 0.0° |
C8 | N9 | C4 | C5 | 0.7° | 0.0° |
C8 | N9 | C4 | N3 | 176.8° | 180.0° |
C4 | N9 | C8 | N7 | 0.7° | 0.0° |
C4 | N9 | C8 | H8 | 179.3° | 180.0° |
N9 | C4 | C5 | N7 | 1.8° | 0.0° |
N9 | C4 | C5 | C6 | 178.1° | 180.0° |
N9 | C4 | C5 | N3 | 177.4° | 180.0° |
N9 | C4 | N3 | C2 | 178.9° | 180.0° |
C8 | N7 | C5 | C6 | 177.9° | 180.0° |
C8 | N7 | C5 | C4 | 2.1° | 0.0° |
H8 | C8 | N7 | C5 | 178.3° | 180.0° |
N7 | C5 | C6 | C4 | 175.5° | 180.0° |
N7 | C5 | C6 | O6 | 7.6° | 0.0° |
N7 | C5 | C6 | N1 | 174.4° | 179.7° |
N7 | C5 | C4 | N3 | 175.6° | 180.0° |
C5 | C6 | O6 | N1 | 177.9° | 179.7° |
C5 | C6 | N1 | C2 | 3.1° | 0.6° |
C5 | C6 | N1 | H1 | 176.8° | 180.0° |
C6 | C5 | C4 | N3 | 0.7° | 0.0° |
C4 | C5 | C6 | O6 | 176.9° | 180.0° |
C4 | C5 | C6 | N1 | 1.1° | 0.3° |
C5 | C4 | N3 | C2 | 1.9° | 0.0° |
O6 | C6 | N1 | C2 | 175.1° | 179.7° |
O6 | C6 | N1 | H1 | 5.0° | 0.3° |
C6 | N1 | C2 | H1 | 180.0° | 179.3° |
C6 | N1 | C2 | N2 | 173.2° | 179.7° |
C6 | N1 | C2 | N3 | 4.9° | 0.6° |
N1 | C2 | N2 | N3 | 178.1° | 179.7° |
N1 | C2 | N2 | H21 | 180.0° | 179.8° |
N1 | C2 | N2 | H22 | 54.7° | 0.6° |
N1 | C2 | N3 | C4 | 3.7° | 0.3° |
H1 | N1 | C2 | N2 | 6.8° | 0.3° |
H1 | N1 | C2 | N3 | 175.1° | 180.0° |
C2 | N2 | H21 | H22 | 125.2° | 179.7° |
N2 | C2 | N3 | C4 | 174.2° | 180.0° |
N3 | C2 | N2 | H21 | 1.9° | 0.1° |
N3 | C2 | N2 | H22 | 123.4° | 179.7° |