ITT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
PG | O1G | doub | 1.48Å | 1.42Å | |
PG | O2G | sing | 1.61Å | 1.48Å | |
PG | O3G | sing | 1.61Å | 1.46Å | |
PG | O3B | sing | 1.61Å | 1.64Å | |
O2G | H2G | sing | 0.97Å | 0.95Å | |
O3G | H3G | sing | 0.97Å | 0.95Å | |
PB | O1B | doub | 1.48Å | 1.44Å | |
PB | O2B | sing | 1.61Å | 1.46Å | |
PB | O3B | sing | 1.61Å | 1.51Å | |
PB | O3A | sing | 1.61Å | 1.52Å | |
O2B | H2B | sing | 0.97Å | 0.95Å | |
PA | O1A | doub | 1.48Å | 1.55Å | |
PA | O2A | sing | 1.61Å | 1.54Å | |
PA | O3A | sing | 1.61Å | 1.59Å | |
PA | O5' | sing | 1.61Å | 1.60Å | |
O2A | H2A | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.50Å | |
C5' | C4' | sing | 1.53Å | 1.35Å | |
C5' | H5'1 | sing | 1.09Å | 1.10Å | |
C5' | H5'2 | sing | 1.09Å | 1.10Å | |
C4' | O4' | sing | 1.45Å | 1.51Å | |
C4' | C3' | sing | 1.54Å | 1.55Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
O4' | C1' | sing | 1.44Å | 1.51Å | |
C3' | O3' | sing | 1.43Å | 1.37Å | |
C3' | C2' | sing | 1.54Å | 1.58Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
O3' | H1 | sing | 0.97Å | 0.95Å | |
C2' | O2' | sing | 1.43Å | 1.50Å | |
C2' | C1' | sing | 1.54Å | 1.52Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
O2' | H3 | sing | 0.97Å | 0.95Å | |
C1' | N9 | sing | 1.46Å | 1.40Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
N9 | C8 | sing | 1.36Å | 1.40Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.34Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.08Å | |
N7 | C5 | sing | 1.36Å | 1.38Å | Aromatic |
C5 | C6 | sing | 1.40Å | 1.38Å | Aromatic |
C5 | C4 | doub | 1.41Å | 1.43Å | Aromatic |
C6 | O6 | sing | 1.35Å | 1.32Å | |
C6 | N1 | doub | 1.33Å | 1.48Å | Aromatic |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
N1 | C2 | sing | 1.32Å | 1.42Å | Aromatic |
C2 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.08Å | |
N3 | C4 | sing | 1.33Å | 1.42Å | Aromatic |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1G | PG | O2G | 112.5° | 109.5° |
O1G | PG | O3G | 111.2° | 109.5° |
O1G | PG | O3B | 117.5° | 109.5° |
O2G | PG | O3G | 107.6° | 109.5° |
O2G | PG | O3B | 97.5° | 109.4° |
PG | O2G | H2G | 109.5° | 106.8° |
O3G | PG | O3B | 109.4° | 109.5° |
PG | O3G | H3G | 109.5° | 106.8° |
PG | O3B | PB | 139.4° | 106.8° |
O1B | PB | O2B | 119.5° | 109.5° |
O1B | PB | O3B | 109.1° | 109.5° |
O1B | PB | O3A | 113.0° | 109.4° |
O2B | PB | O3B | 107.8° | 109.5° |
O2B | PB | O3A | 100.0° | 109.5° |
PB | O2B | H2B | 109.5° | 106.8° |
O3B | PB | O3A | 106.5° | 109.5° |
PB | O3A | PA | 132.1° | 106.8° |
O1A | PA | O2A | 107.1° | 109.5° |
O1A | PA | O3A | 91.1° | 109.5° |
O1A | PA | O5' | 108.4° | 109.5° |
O2A | PA | O3A | 122.2° | 109.4° |
O2A | PA | O5' | 117.7° | 109.5° |
PA | O2A | H2A | 109.5° | 106.8° |
O3A | PA | O5' | 106.5° | 109.5° |
PA | O5' | C5' | 128.9° | 106.8° |
O5' | C5' | C4' | 108.8° | 109.5° |
O5' | C5' | H5'1 | 109.9° | 109.5° |
O5' | C5' | H5'2 | 109.7° | 109.5° |
C4' | C5' | H5'1 | 109.8° | 109.5° |
C4' | C5' | H5'2 | 109.7° | 109.5° |
C5' | C4' | O4' | 93.3° | 110.4° |
C5' | C4' | C3' | 119.4° | 110.7° |
C5' | C4' | H4' | 116.0° | 110.3° |
H5'1 | C5' | H5'2 | 109.0° | 109.4° |
O4' | C4' | C3' | 114.9° | 104.7° |
O4' | C4' | H4' | 120.4° | 110.4° |
C4' | O4' | C1' | 99.0° | 105.4° |
C3' | C4' | H4' | 94.9° | 110.3° |
C4' | C3' | O3' | 120.9° | 110.5° |
C4' | C3' | C2' | 95.8° | 104.2° |
C4' | C3' | H3' | 116.7° | 110.5° |
O4' | C1' | C2' | 111.9° | 104.8° |
O4' | C1' | N9 | 113.8° | 110.5° |
O4' | C1' | H1' | 105.2° | 110.3° |
O3' | C3' | C2' | 121.3° | 110.5° |
O3' | C3' | H3' | 87.8° | 110.4° |
C3' | O3' | H1 | 109.5° | 106.8° |
C2' | C3' | H3' | 116.3° | 110.6° |
C3' | C2' | O2' | 101.7° | 110.5° |
C3' | C2' | C1' | 107.7° | 104.1° |
C3' | C2' | H2' | 117.4° | 110.5° |
O2' | C2' | C1' | 114.7° | 110.6° |
O2' | C2' | H2' | 110.8° | 110.4° |
C2' | O2' | H3 | 109.5° | 106.8° |
C1' | C2' | H2' | 105.0° | 110.5° |
C2' | C1' | N9 | 111.1° | 110.4° |
C2' | C1' | H1' | 108.3° | 110.4° |
N9 | C1' | H1' | 106.1° | 110.3° |
C1' | N9 | C8 | 130.5° | 126.3° |
C1' | N9 | C4 | 126.4° | 126.3° |
C8 | N9 | C4 | 103.0° | 107.4° |
N9 | C8 | N7 | 119.9° | 110.0° |
N9 | C8 | H8 | 120.1° | 125.0° |
N9 | C4 | C5 | 104.8° | 106.0° |
N9 | C4 | N3 | 127.0° | 134.9° |
N7 | C8 | H8 | 120.1° | 125.0° |
C8 | N7 | C5 | 98.3° | 109.4° |
N7 | C5 | C6 | 129.7° | 134.7° |
N7 | C5 | C4 | 114.0° | 107.1° |
C6 | C5 | C4 | 116.3° | 118.2° |
C5 | C6 | O6 | 127.5° | 120.8° |
C5 | C6 | N1 | 118.4° | 118.5° |
C5 | C4 | N3 | 128.2° | 119.1° |
O6 | C6 | N1 | 114.2° | 120.8° |
C6 | O6 | HO6 | 109.5° | 106.8° |
C6 | N1 | C2 | 118.9° | 121.3° |
N1 | C2 | N3 | 125.8° | 122.4° |
N1 | C2 | H2 | 117.1° | 118.8° |
N3 | C2 | H2 | 117.1° | 118.8° |
C2 | N3 | C4 | 112.4° | 120.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1G | PG | O2G | O3G | 122.9° | 120.0° |
O1G | PG | O2G | O3B | 123.9° | 120.0° |
O1G | PG | O3G | O3B | 131.4° | 120.1° |
O1G | PG | O2G | H2G | 15.0° | 60.0° |
O1G | PG | O3G | H3G | 118.8° | 180.0° |
O1G | PG | O3B | PB | 91.5° | 45.0° |
O2G | PG | O3G | O3B | 104.9° | 119.9° |
O2G | PG | O3G | H3G | 117.5° | 60.0° |
O2G | PG | O3B | PB | 28.8° | 165.0° |
O3G | PG | O2G | H2G | 137.8° | 60.0° |
O3G | PG | O3B | PB | 140.5° | 75.0° |
O3B | PG | O2G | H2G | 109.0° | 180.0° |
O3B | PG | O3G | H3G | 12.6° | 60.0° |
PG | O3B | PB | O1B | 123.6° | 40.0° |
PG | O3B | PB | O2B | 105.2° | 80.0° |
PG | O3B | PB | O3A | 1.4° | 160.0° |
O1B | PB | O2B | O3B | 125.2° | 120.0° |
O1B | PB | O2B | O3A | 123.8° | 120.0° |
O1B | PB | O3B | O3A | 122.2° | 120.0° |
O1B | PB | O2B | H2B | 114.8° | 180.0° |
O1B | PB | O3A | PA | 0.8° | 45.0° |
O2B | PB | O3B | O3A | 106.6° | 120.0° |
O2B | PB | O3A | PA | 129.0° | 75.0° |
O3B | PB | O2B | H2B | 120.0° | 60.0° |
O3B | PB | O3A | PA | 118.9° | 165.0° |
O3A | PB | O2B | H2B | 9.0° | 60.0° |
PB | O3A | PA | O1A | 164.0° | 40.0° |
PB | O3A | PA | O2A | 84.9° | 80.0° |
PB | O3A | PA | O5' | 54.5° | 160.0° |
O1A | PA | O2A | O3A | 102.5° | 120.0° |
O1A | PA | O2A | O5' | 122.3° | 120.0° |
O1A | PA | O3A | O5' | 109.6° | 120.0° |
O1A | PA | O2A | H2A | 148.6° | 179.9° |
O1A | PA | O5' | C5' | 83.3° | 55.0° |
O2A | PA | O3A | O5' | 139.3° | 120.0° |
O2A | PA | O5' | C5' | 38.4° | 65.0° |
O3A | PA | O2A | H2A | 46.1° | 60.1° |
O3A | PA | O5' | C5' | 179.8° | 175.0° |
O5' | PA | O2A | H2A | 89.1° | 59.9° |
PA | O5' | C5' | C4' | 159.9° | 180.0° |
PA | O5' | C5' | H5'1 | 39.6° | 60.0° |
PA | O5' | C5' | H5'2 | 80.1° | 59.9° |
O5' | C5' | C4' | H5'1 | 120.3° | 120.0° |
O5' | C5' | C4' | H5'2 | 120.0° | 120.0° |
O5' | C5' | H5'1 | H5'2 | 120.2° | 119.9° |
O5' | C5' | C4' | O4' | 148.2° | 66.4° |
O5' | C5' | C4' | C3' | 27.0° | 178.1° |
O5' | C5' | C4' | H4' | 85.6° | 55.8° |
C4' | C5' | H5'1 | H5'2 | 120.2° | 120.0° |
C5' | C4' | O4' | C3' | 124.7° | 119.2° |
C5' | C4' | O4' | H4' | 122.9° | 122.2° |
C5' | C4' | C3' | H4' | 123.6° | 122.3° |
C5' | C4' | O4' | C1' | 152.3° | 159.4° |
C5' | C4' | C3' | O3' | 84.3° | 98.5° |
C5' | C4' | C3' | C2' | 143.7° | 142.7° |
C5' | C4' | C3' | H3' | 20.3° | 24.0° |
H5'1 | C5' | C4' | O4' | 27.9° | 173.5° |
H5'1 | C5' | C4' | C3' | 93.2° | 58.1° |
H5'1 | C5' | C4' | H4' | 154.2° | 64.2° |
H5'2 | C5' | C4' | O4' | 91.8° | 53.6° |
H5'2 | C5' | C4' | C3' | 147.0° | 61.9° |
H5'2 | C5' | C4' | H4' | 34.4° | 175.8° |
O4' | C4' | C3' | H4' | 126.8° | 118.7° |
O4' | C4' | C3' | O3' | 166.2° | 142.5° |
O4' | C4' | C3' | C2' | 34.1° | 23.8° |
O4' | C4' | C3' | H3' | 89.3° | 95.0° |
C4' | O4' | C1' | C2' | 8.0° | 40.4° |
C4' | O4' | C1' | N9 | 135.0° | 159.3° |
C4' | O4' | C1' | H1' | 109.4° | 78.4° |
C3' | C4' | O4' | C1' | 27.7° | 40.3° |
C4' | C3' | O3' | C2' | 120.2° | 114.8° |
C4' | C3' | O3' | H3' | 120.1° | 122.5° |
C4' | C3' | C2' | H3' | 123.7° | 118.7° |
C4' | C3' | O3' | H1 | 4.9° | 178.1° |
C4' | C3' | C2' | O2' | 95.2° | 118.9° |
C4' | C3' | C2' | C1' | 25.7° | 0.1° |
C4' | C3' | C2' | H2' | 143.8° | 118.6° |
H4' | C4' | O4' | C1' | 84.8° | 78.4° |
H4' | C4' | C3' | O3' | 39.3° | 23.8° |
H4' | C4' | C3' | C2' | 92.7° | 94.9° |
H4' | C4' | C3' | H3' | 143.9° | 146.3° |
O4' | C1' | C2' | C3' | 12.4° | 24.0° |
O4' | C1' | C2' | O2' | 99.9° | 142.7° |
O4' | C1' | C2' | N9 | 128.4° | 119.0° |
O4' | C1' | C2' | H1' | 115.5° | 118.8° |
O4' | C1' | C2' | H2' | 138.2° | 94.7° |
O4' | C1' | N9 | H1' | 115.2° | 122.2° |
O4' | C1' | N9 | C8 | 19.4° | 20.5° |
O4' | C1' | N9 | C4 | 159.4° | 159.8° |
O3' | C3' | C2' | H3' | 104.5° | 122.5° |
O3' | C3' | C2' | O2' | 36.6° | 0.1° |
O3' | C3' | C2' | C1' | 157.5° | 118.7° |
O3' | C3' | C2' | H2' | 84.4° | 122.7° |
C2' | C3' | O3' | H1 | 115.3° | 63.3° |
C3' | C2' | O2' | C1' | 115.9° | 114.8° |
C3' | C2' | O2' | H2' | 125.5° | 122.6° |
C3' | C2' | C1' | H2' | 125.8° | 118.7° |
C3' | C2' | O2' | H3 | 116.4° | 61.4° |
C3' | C2' | C1' | N9 | 116.0° | 142.9° |
C3' | C2' | C1' | H1' | 127.9° | 94.8° |
H3' | C3' | O3' | H1 | 125.0° | 59.4° |
H3' | C3' | C2' | O2' | 141.1° | 122.4° |
H3' | C3' | C2' | C1' | 98.0° | 118.8° |
H3' | C3' | C2' | H2' | 20.1° | 0.1° |
O2' | C2' | C1' | H2' | 121.8° | 122.6° |
O2' | C2' | C1' | N9 | 131.7° | 98.3° |
O2' | C2' | C1' | H1' | 15.5° | 23.9° |
C1' | C2' | O2' | H3 | 0.5° | 176.2° |
C2' | C1' | N9 | H1' | 117.5° | 122.3° |
C2' | C1' | N9 | C8 | 108.0° | 94.9° |
C2' | C1' | N9 | C4 | 73.2° | 84.7° |
H2' | C2' | O2' | H3 | 118.1° | 61.2° |
H2' | C2' | C1' | N9 | 9.8° | 24.2° |
H2' | C2' | C1' | H1' | 106.3° | 146.5° |
C1' | N9 | C8 | C4 | 179.1° | 179.7° |
C1' | N9 | C8 | N7 | 179.9° | 179.9° |
C1' | N9 | C8 | H8 | 0.1° | 0.1° |
C1' | N9 | C4 | C5 | 179.7° | 179.9° |
C1' | N9 | C4 | N3 | 0.2° | 0.8° |
H1' | C1' | N9 | C8 | 134.6° | 142.8° |
H1' | C1' | N9 | C4 | 44.3° | 37.6° |
N9 | C8 | N7 | H8 | 180.0° | 180.0° |
N9 | C8 | N7 | C5 | 0.6° | 0.0° |
C8 | N9 | C4 | C5 | 0.6° | 0.4° |
C8 | N9 | C4 | N3 | 179.3° | 179.5° |
C4 | N9 | C8 | N7 | 0.8° | 0.2° |
C4 | N9 | C8 | H8 | 179.2° | 179.8° |
N9 | C4 | C5 | N7 | 0.3° | 0.4° |
N9 | C4 | C5 | C6 | 179.7° | 179.8° |
N9 | C4 | C5 | N3 | 179.8° | 179.3° |
N9 | C4 | N3 | C2 | 179.3° | 179.6° |
C8 | N7 | C5 | C6 | 179.9° | 180.0° |
C8 | N7 | C5 | C4 | 0.2° | 0.3° |
H8 | C8 | N7 | C5 | 179.4° | 180.0° |
N7 | C5 | C6 | C4 | 179.9° | 179.7° |
N7 | C5 | C6 | O6 | 0.5° | 0.0° |
N7 | C5 | C6 | N1 | 179.7° | 180.0° |
N7 | C5 | C4 | N3 | 179.6° | 179.7° |
C5 | C6 | O6 | N1 | 179.2° | 180.0° |
C5 | C6 | O6 | HO6 | 114.6° | 90.0° |
C5 | C6 | N1 | C2 | 0.4° | 0.0° |
C6 | C5 | C4 | N3 | 0.5° | 0.5° |
C4 | C5 | C6 | O6 | 179.4° | 179.7° |
C4 | C5 | C6 | N1 | 0.2° | 0.3° |
C5 | C4 | N3 | C2 | 0.9° | 0.5° |
O6 | C6 | N1 | C2 | 179.7° | 180.0° |
N1 | C6 | O6 | HO6 | 64.6° | 90.0° |
C6 | N1 | C2 | N3 | 0.1° | 0.0° |
C6 | N1 | C2 | H2 | 179.9° | 180.0° |
N1 | C2 | N3 | H2 | 180.0° | 180.0° |
N1 | C2 | N3 | C4 | 0.7° | 0.3° |
H2 | C2 | N3 | C4 | 179.3° | 179.8° |