DOT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
PG | O1G | sing | 1.61Å | 1.48Å | |
PG | O2G | doub | 1.48Å | 1.46Å | |
PG | O3G | sing | 1.61Å | 1.56Å | |
PG | O3B | sing | 1.61Å | 1.78Å | |
O1G | HOG1 | sing | 0.97Å | 0.95Å | |
O3G | HOG3 | sing | 0.97Å | 0.95Å | |
PB | O1B | doub | 1.48Å | 1.42Å | |
PB | O2B | sing | 1.61Å | 1.57Å | |
PB | O3B | sing | 1.61Å | 1.66Å | |
PB | O3A | sing | 1.61Å | 1.73Å | |
O2B | HOB2 | sing | 0.97Å | 0.95Å | |
PA | O1A | doub | 1.48Å | 1.62Å | |
PA | O2A | sing | 1.61Å | 1.54Å | |
PA | O3A | sing | 1.61Å | 1.61Å | |
PA | O5' | sing | 1.61Å | 1.64Å | |
O2A | HOA2 | sing | 0.97Å | 0.95Å | |
O5' | C5B | sing | 1.43Å | 1.38Å | |
C5B | C4B | sing | 1.53Å | 1.59Å | |
C5B | H5'1 | sing | 1.09Å | 1.11Å | |
C5B | H5'2 | sing | 1.09Å | 1.12Å | |
C4B | O4' | sing | 1.44Å | 1.47Å | |
C4B | C3B | sing | 1.55Å | 1.63Å | |
C4B | H4B | sing | 1.09Å | 1.12Å | |
O4' | C1B | sing | 1.44Å | 1.38Å | |
C3B | O3' | sing | 1.45Å | 1.53Å | |
C3B | C2B | sing | 1.55Å | 1.42Å | |
C3B | H3B | sing | 1.09Å | 1.11Å | |
O3' | C' | sing | 1.35Å | 1.41Å | |
C2B | C1B | sing | 1.54Å | 1.54Å | |
C2B | H2'1 | sing | 1.09Å | 1.12Å | |
C2B | H2'2 | sing | 1.09Å | 1.11Å | |
C1B | N9 | sing | 1.47Å | 1.56Å | |
C1B | H1' | sing | 1.09Å | 1.11Å | |
N9 | C8 | sing | 1.36Å | 1.45Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.41Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.46Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
N7 | C5 | sing | 1.36Å | 1.38Å | Aromatic |
C5 | C6 | doub | 1.40Å | 1.46Å | Aromatic |
C5 | C4 | sing | 1.41Å | 1.49Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.36Å | |
C6 | N1 | sing | 1.33Å | 1.43Å | Aromatic |
N6 | HN61 | sing | 0.97Å | 1.02Å | |
N6 | HN62 | sing | 0.97Å | 1.02Å | |
N1 | C2 | doub | 1.32Å | 1.43Å | Aromatic |
C2 | N3 | sing | 1.32Å | 1.38Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.10Å | |
N3 | C4 | doub | 1.33Å | 1.37Å | Aromatic |
C' | O1' | doub | 1.22Å | 1.28Å | |
C' | C1' | sing | 1.47Å | 1.56Å | |
C1' | C2' | doub | 1.40Å | 1.70Å | Aromatic |
C1' | C6' | sing | 1.40Å | 1.50Å | Aromatic |
C2' | N2' | sing | 1.39Å | 1.36Å | |
C2' | C3' | sing | 1.39Å | 1.74Å | Aromatic |
N2' | H2B | sing | 0.97Å | 1.02Å | |
N2' | H2D | sing | 0.97Å | 1.02Å | |
C3' | C4' | doub | 1.38Å | 1.45Å | Aromatic |
C3' | H3' | sing | 1.08Å | 1.10Å | |
C4' | C5' | sing | 1.39Å | 1.49Å | Aromatic |
C4' | H4' | sing | 1.08Å | 1.10Å | |
C5' | C6' | doub | 1.38Å | 1.47Å | Aromatic |
C5' | H5' | sing | 1.08Å | 1.10Å | |
C6' | H6' | sing | 1.08Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1G | PG | O2G | 109.2° | 109.5° |
O1G | PG | O3G | 111.3° | 109.5° |
O1G | PG | O3B | 107.7° | 109.4° |
PG | O1G | HOG1 | 109.2° | 114.0° |
O2G | PG | O3G | 108.8° | 109.5° |
O2G | PG | O3B | 112.7° | 109.5° |
O3G | PG | O3B | 107.2° | 109.5° |
PG | O3G | HOG3 | 111.3° | 114.0° |
PG | O3B | PB | 126.3° | 134.0° |
O1B | PB | O2B | 116.0° | 109.5° |
O1B | PB | O3B | 108.6° | 109.4° |
O1B | PB | O3A | 111.5° | 109.4° |
O2B | PB | O3B | 111.1° | 109.5° |
O2B | PB | O3A | 108.7° | 109.5° |
PB | O2B | HOB2 | 116.0° | 114.0° |
O3B | PB | O3A | 99.7° | 109.5° |
PB | O3A | PA | 131.2° | 134.0° |
O1A | PA | O2A | 127.4° | 109.5° |
O1A | PA | O3A | 111.4° | 109.5° |
O1A | PA | O5' | 96.2° | 109.4° |
O2A | PA | O3A | 101.9° | 109.5° |
O2A | PA | O5' | 108.2° | 109.5° |
PA | O2A | HOA2 | 127.4° | 114.0° |
O3A | PA | O5' | 111.5° | 109.4° |
PA | O5' | C5B | 116.1° | 123.0° |
O5' | C5B | C4B | 109.2° | 109.5° |
O5' | C5B | H5'1 | 112.3° | 109.4° |
O5' | C5B | H5'2 | 112.3° | 109.5° |
C4B | C5B | H5'1 | 112.3° | 109.5° |
C4B | C5B | H5'2 | 112.3° | 109.5° |
C5B | C4B | O4' | 103.3° | 110.6° |
C5B | C4B | C3B | 120.1° | 110.6° |
C5B | C4B | H4B | 105.3° | 110.6° |
H5'1 | C5B | H5'2 | 98.1° | 109.5° |
O4' | C4B | C3B | 104.7° | 103.5° |
O4' | C4B | H4B | 120.6° | 110.6° |
C4B | O4' | C1B | 112.4° | 106.9° |
C3B | C4B | H4B | 103.9° | 110.7° |
C4B | C3B | O3' | 118.8° | 110.9° |
C4B | C3B | C2B | 102.7° | 102.1° |
C4B | C3B | H3B | 111.8° | 110.9° |
O4' | C1B | C2B | 105.4° | 107.3° |
O4' | C1B | N9 | 107.3° | 109.9° |
O4' | C1B | H1' | 120.4° | 109.9° |
O3' | C3B | C2B | 118.4° | 110.9° |
O3' | C3B | H3B | 92.9° | 110.8° |
C3B | O3' | C' | 124.9° | 117.0° |
C2B | C3B | H3B | 112.3° | 110.9° |
C3B | C2B | C1B | 110.5° | 104.1° |
C3B | C2B | H2'1 | 111.9° | 110.5° |
C3B | C2B | H2'2 | 111.8° | 110.5° |
O3' | C' | O1' | 106.7° | 120.0° |
O3' | C' | C1' | 124.1° | 120.0° |
C1B | C2B | H2'1 | 111.8° | 110.5° |
C1B | C2B | H2'2 | 111.8° | 110.5° |
C2B | C1B | N9 | 124.3° | 109.9° |
C2B | C1B | H1' | 101.4° | 109.9° |
H2'1 | C2B | H2'2 | 98.6° | 110.6° |
N9 | C1B | H1' | 99.2° | 110.0° |
C1B | N9 | C8 | 134.8° | 126.2° |
C1B | N9 | C4 | 123.6° | 126.2° |
C8 | N9 | C4 | 101.6° | 107.5° |
N9 | C8 | N7 | 116.8° | 109.9° |
N9 | C8 | H8 | 121.4° | 125.0° |
N9 | C4 | C5 | 108.7° | 106.0° |
N9 | C4 | N3 | 123.4° | 135.0° |
N7 | C8 | H8 | 121.8° | 125.0° |
C8 | N7 | C5 | 100.1° | 109.5° |
N7 | C5 | C6 | 128.2° | 134.7° |
N7 | C5 | C4 | 112.7° | 107.1° |
C6 | C5 | C4 | 118.6° | 118.2° |
C5 | C6 | N6 | 125.3° | 120.8° |
C5 | C6 | N1 | 113.5° | 118.5° |
C5 | C4 | N3 | 127.9° | 119.0° |
N6 | C6 | N1 | 104.2° | 120.7° |
C6 | N6 | HN61 | 106.6° | 120.0° |
C6 | N6 | HN62 | 125.3° | 120.0° |
C6 | N1 | C2 | 119.9° | 121.2° |
HN61 | N6 | HN62 | 106.6° | 120.0° |
N1 | C2 | N3 | 130.7° | 122.5° |
N1 | C2 | H2 | 116.7° | 118.8° |
N3 | C2 | H2 | 112.6° | 118.7° |
C2 | N3 | C4 | 108.6° | 120.6° |
O1' | C' | C1' | 115.0° | 120.0° |
C' | C1' | C2' | 105.0° | 120.2° |
C' | C1' | C6' | 109.7° | 120.2° |
C2' | C1' | C6' | 131.6° | 119.6° |
C1' | C2' | N2' | 90.3° | 120.2° |
C1' | C2' | C3' | 94.1° | 119.7° |
C1' | C6' | C5' | 122.4° | 119.9° |
C1' | C6' | H6' | 119.7° | 120.0° |
N2' | C2' | C3' | 171.9° | 120.2° |
C2' | N2' | H2B | 119.9° | 120.0° |
C2' | N2' | H2D | 90.3° | 120.0° |
C2' | C3' | C4' | 134.5° | 120.1° |
C2' | C3' | H3' | 124.9° | 120.0° |
H2B | N2' | H2D | 119.9° | 120.0° |
C4' | C3' | H3' | 100.5° | 120.0° |
C3' | C4' | C5' | 120.1° | 120.4° |
C3' | C4' | H4' | 118.6° | 119.8° |
C5' | C4' | H4' | 121.3° | 119.8° |
C4' | C5' | C6' | 116.9° | 120.4° |
C4' | C5' | H5' | 122.1° | 119.8° |
C6' | C5' | H5' | 120.9° | 119.8° |
C5' | C6' | H6' | 117.9° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1G | PG | O2G | O3G | 121.6° | 120.0° |
O1G | PG | O2G | O3B | 119.7° | 120.0° |
O1G | PG | O3G | O3B | 117.6° | 120.0° |
O1G | PG | O3G | HOG3 | 180.0° | 60.0° |
O1G | PG | O3B | PB | 78.6° | 80.0° |
O2G | PG | O3G | O3B | 122.1° | 120.0° |
O2G | PG | O1G | HOG1 | 180.0° | 180.0° |
O2G | PG | O3G | HOG3 | 59.6° | 60.0° |
O2G | PG | O3B | PB | 160.9° | 40.0° |
O3G | PG | O1G | HOG1 | 59.9° | 59.9° |
O3G | PG | O3B | PB | 41.3° | 160.0° |
O3B | PG | O1G | HOG1 | 57.4° | 60.1° |
O3B | PG | O3G | HOG3 | 62.4° | 180.0° |
PG | O3B | PB | O1B | 119.1° | 40.0° |
PG | O3B | PB | O2B | 9.7° | 80.0° |
PG | O3B | PB | O3A | 124.2° | 160.0° |
O1B | PB | O2B | O3B | 124.7° | 120.0° |
O1B | PB | O2B | O3A | 126.5° | 120.0° |
O1B | PB | O3B | O3A | 116.8° | 120.0° |
O1B | PB | O2B | HOB2 | 180.0° | 180.0° |
O1B | PB | O3A | PA | 60.8° | 45.1° |
O2B | PB | O3B | O3A | 114.5° | 120.0° |
O2B | PB | O3A | PA | 68.3° | 74.9° |
O3B | PB | O2B | HOB2 | 55.3° | 60.0° |
O3B | PB | O3A | PA | 175.3° | 165.0° |
O3A | PB | O2B | HOB2 | 53.4° | 60.0° |
PB | O3A | PA | O1A | 43.6° | 40.1° |
PB | O3A | PA | O2A | 177.8° | 80.0° |
PB | O3A | PA | O5' | 62.6° | 160.0° |
O1A | PA | O2A | O3A | 129.1° | 120.0° |
O1A | PA | O2A | O5' | 113.3° | 120.0° |
O1A | PA | O3A | O5' | 106.2° | 120.0° |
O1A | PA | O2A | HOA2 | 180.0° | 180.0° |
O1A | PA | O5' | C5B | 172.6° | 55.0° |
O2A | PA | O3A | O5' | 115.2° | 120.0° |
O2A | PA | O5' | C5B | 54.6° | 65.0° |
O3A | PA | O2A | HOA2 | 50.8° | 60.0° |
O3A | PA | O5' | C5B | 56.6° | 175.0° |
O5' | PA | O2A | HOA2 | 66.8° | 60.0° |
PA | O5' | C5B | C4B | 158.2° | 180.0° |
PA | O5' | C5B | H5'1 | 76.6° | 60.0° |
PA | O5' | C5B | H5'2 | 32.9° | 60.0° |
O5' | C5B | C4B | H5'1 | 125.3° | 120.0° |
O5' | C5B | C4B | H5'2 | 125.3° | 120.0° |
O5' | C5B | H5'1 | H5'2 | 118.2° | 120.0° |
O5' | C5B | C4B | O4' | 14.4° | 66.5° |
O5' | C5B | C4B | C3B | 101.7° | 179.5° |
O5' | C5B | C4B | H4B | 141.7° | 56.4° |
C4B | C5B | H5'1 | H5'2 | 118.2° | 120.0° |
C5B | C4B | O4' | C3B | 126.6° | 118.5° |
C5B | C4B | O4' | H4B | 117.1° | 122.9° |
C5B | C4B | C3B | H4B | 117.3° | 123.0° |
C5B | C4B | O4' | C1B | 133.1° | 158.5° |
C5B | C4B | C3B | O3' | 119.1° | 86.3° |
C5B | C4B | C3B | C2B | 108.0° | 155.5° |
C5B | C4B | C3B | H3B | 12.6° | 37.3° |
H5'1 | C5B | C4B | O4' | 110.9° | 53.5° |
H5'1 | C5B | C4B | C3B | 133.0° | 60.6° |
H5'1 | C5B | C4B | H4B | 16.4° | 176.4° |
H5'2 | C5B | C4B | O4' | 139.6° | 173.5° |
H5'2 | C5B | C4B | C3B | 23.6° | 59.5° |
H5'2 | C5B | C4B | H4B | 93.0° | 63.6° |
O4' | C4B | C3B | H4B | 127.4° | 118.6° |
O4' | C4B | C3B | O3' | 125.6° | 155.3° |
O4' | C4B | C3B | C2B | 7.3° | 37.0° |
O4' | C4B | C3B | H3B | 127.9° | 81.2° |
C4B | O4' | C1B | C2B | 16.8° | 26.5° |
C4B | O4' | C1B | N9 | 151.1° | 146.0° |
C4B | O4' | C1B | H1' | 96.7° | 92.9° |
C3B | C4B | O4' | C1B | 6.5° | 40.1° |
C4B | C3B | O3' | C2B | 125.7° | 112.7° |
C4B | C3B | O3' | H3B | 117.0° | 123.6° |
C4B | C3B | C2B | H3B | 120.3° | 118.2° |
C4B | C3B | O3' | C' | 101.1° | 150.0° |
C4B | C3B | C2B | C1B | 17.4° | 20.9° |
C4B | C3B | C2B | H2'1 | 142.7° | 139.5° |
C4B | C3B | C2B | H2'2 | 107.8° | 97.8° |
H4B | C4B | O4' | C1B | 109.8° | 78.6° |
H4B | C4B | C3B | O3' | 1.8° | 36.7° |
H4B | C4B | C3B | C2B | 134.7° | 81.5° |
H4B | C4B | C3B | H3B | 104.7° | 160.3° |
O4' | C1B | C2B | C3B | 22.3° | 2.0° |
O4' | C1B | C2B | N9 | 124.2° | 119.4° |
O4' | C1B | C2B | H1' | 126.2° | 119.4° |
O4' | C1B | C2B | H2'1 | 147.6° | 116.6° |
O4' | C1B | C2B | H2'2 | 103.0° | 120.7° |
O4' | C1B | N9 | H1' | 126.0° | 121.1° |
O4' | C1B | N9 | C8 | 5.3° | 23.6° |
O4' | C1B | N9 | C4 | 176.4° | 156.7° |
O3' | C3B | C2B | H3B | 106.6° | 123.6° |
O3' | C3B | C2B | C1B | 115.7° | 139.1° |
O3' | C3B | C2B | H2'1 | 9.5° | 102.3° |
O3' | C3B | C2B | H2'2 | 119.0° | 20.4° |
C3B | O3' | C' | O1' | 92.0° | 0.0° |
C3B | O3' | C' | C1' | 130.6° | 180.0° |
C2B | C3B | O3' | C' | 133.3° | 97.3° |
C3B | C2B | C1B | H2'1 | 125.3° | 118.6° |
C3B | C2B | C1B | H2'2 | 125.3° | 118.7° |
C3B | C2B | H2'1 | H2'2 | 117.8° | 122.7° |
C3B | C2B | C1B | N9 | 146.5° | 121.5° |
C3B | C2B | C1B | H1' | 103.9° | 117.4° |
H3B | C3B | O3' | C' | 15.9° | 26.4° |
H3B | C3B | C2B | C1B | 137.7° | 97.3° |
H3B | C3B | C2B | H2'1 | 97.0° | 21.3° |
H3B | C3B | C2B | H2'2 | 12.5° | 144.0° |
O3' | C' | O1' | C1' | 141.8° | 180.0° |
O3' | C' | C1' | C2' | 179.8° | 174.4° |
O3' | C' | C1' | C6' | 34.5° | 5.9° |
C1B | C2B | H2'1 | H2'2 | 117.7° | 122.6° |
C2B | C1B | N9 | H1' | 110.7° | 121.1° |
C2B | C1B | N9 | C8 | 128.6° | 94.3° |
C2B | C1B | N9 | C4 | 53.1° | 85.4° |
H2'1 | C2B | C1B | N9 | 88.2° | 2.8° |
H2'1 | C2B | C1B | H1' | 21.4° | 124.0° |
H2'2 | C2B | C1B | N9 | 21.3° | 119.9° |
H2'2 | C2B | C1B | H1' | 130.9° | 1.3° |
C1B | N9 | C8 | C4 | 178.6° | 179.7° |
C1B | N9 | C8 | N7 | 178.5° | 180.0° |
C1B | N9 | C8 | H8 | 1.5° | 0.1° |
C1B | N9 | C4 | C5 | 177.9° | 179.9° |
C1B | N9 | C4 | N3 | 1.6° | 0.8° |
H1' | C1B | N9 | C8 | 120.7° | 144.7° |
H1' | C1B | N9 | C4 | 57.6° | 35.7° |
N9 | C8 | N7 | H8 | 180.0° | 179.9° |
N9 | C8 | N7 | C5 | 0.8° | 0.0° |
C8 | N9 | C4 | C5 | 0.9° | 0.4° |
C8 | N9 | C4 | N3 | 179.6° | 179.5° |
C4 | N9 | C8 | N7 | 0.0° | 0.3° |
C4 | N9 | C8 | H8 | 179.9° | 179.8° |
N9 | C4 | C5 | N7 | 1.5° | 0.4° |
N9 | C4 | C5 | C6 | 171.4° | 179.8° |
N9 | C4 | C5 | N3 | 179.5° | 179.3° |
N9 | C4 | N3 | C2 | 178.0° | 179.6° |
C8 | N7 | C5 | C6 | 170.7° | 180.0° |
C8 | N7 | C5 | C4 | 1.4° | 0.2° |
H8 | C8 | N7 | C5 | 179.2° | 180.0° |
N7 | C5 | C6 | C4 | 171.7° | 179.8° |
N7 | C5 | C6 | N6 | 51.7° | 0.0° |
N7 | C5 | C6 | N1 | 178.8° | 180.0° |
N7 | C5 | C4 | N3 | 179.0° | 179.7° |
C5 | C6 | N6 | N1 | 133.1° | 180.0° |
C5 | C6 | N6 | HN61 | 54.8° | 0.0° |
C5 | C6 | N6 | HN62 | 180.0° | 180.0° |
C5 | C6 | N1 | C2 | 5.8° | 0.0° |
C6 | C5 | C4 | N3 | 8.1° | 0.5° |
C4 | C5 | C6 | N6 | 120.0° | 179.7° |
C4 | C5 | C6 | N1 | 9.5° | 0.2° |
C5 | C4 | N3 | C2 | 1.4° | 0.6° |
C6 | N6 | HN61 | HN62 | 135.9° | 180.0° |
N6 | C6 | N1 | C2 | 133.7° | 180.0° |
N1 | C6 | N6 | HN61 | 172.1° | 180.0° |
N1 | C6 | N6 | HN62 | 46.9° | 0.0° |
C6 | N1 | C2 | N3 | 0.9° | 0.1° |
C6 | N1 | C2 | H2 | 179.1° | 180.0° |
N1 | C2 | N3 | H2 | 180.0° | 179.9° |
N1 | C2 | N3 | C4 | 3.3° | 0.4° |
H2 | C2 | N3 | C4 | 176.7° | 179.7° |
O1' | C' | C1' | C2' | 45.5° | 5.6° |
O1' | C' | C1' | C6' | 168.8° | 174.2° |
C' | C1' | C2' | C6' | 134.8° | 179.8° |
C' | C1' | C2' | N2' | 43.5° | 0.0° |
C' | C1' | C2' | C3' | 129.6° | 180.0° |
C' | C1' | C6' | C5' | 125.6° | 179.7° |
C' | C1' | C6' | H6' | 54.4° | 0.0° |
C1' | C2' | N2' | C3' | 122.5° | 180.0° |
C1' | C2' | N2' | H2B | 54.7° | 5.7° |
C1' | C2' | N2' | H2D | 180.0° | 174.4° |
C1' | C2' | C3' | C4' | 0.5° | 0.0° |
C1' | C2' | C3' | H3' | 179.5° | 180.0° |
C2' | C1' | C6' | C5' | 7.6° | 0.5° |
C2' | C1' | C6' | H6' | 172.4° | 179.7° |
C6' | C1' | C2' | N2' | 178.3° | 179.8° |
C6' | C1' | C2' | C3' | 5.1° | 0.3° |
C1' | C6' | C5' | C4' | 4.0° | 0.5° |
C1' | C6' | C5' | H6' | 180.0° | 179.8° |
C1' | C6' | C5' | H5' | 176.0° | 179.7° |
C2' | N2' | H2B | H2D | 109.7° | 180.0° |
N2' | C2' | C3' | C4' | 122.8° | 180.0° |
N2' | C2' | C3' | H3' | 57.2° | 0.0° |
C3' | C2' | N2' | H2B | 67.8° | 174.4° |
C3' | C2' | N2' | H2D | 57.5° | 5.6° |
C2' | C3' | C4' | H3' | 180.0° | 180.0° |
C2' | C3' | C4' | C5' | 1.8° | 0.0° |
C2' | C3' | C4' | H4' | 178.1° | 180.0° |
C3' | C4' | C5' | H4' | 180.0° | 180.0° |
C3' | C4' | C5' | C6' | 0.2° | 0.3° |
C3' | C4' | C5' | H5' | 179.9° | 180.0° |
H3' | C3' | C4' | C5' | 178.2° | 180.0° |
H3' | C3' | C4' | H4' | 1.9° | 0.0° |
C4' | C5' | C6' | H5' | 180.0° | 179.8° |
C4' | C5' | C6' | H6' | 176.0° | 179.7° |
H4' | C4' | C5' | C6' | 179.8° | 179.7° |
H4' | C4' | C5' | H5' | 0.1° | 0.0° |
H5' | C5' | C6' | H6' | 4.0° | 0.0° |