AV2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
PB | O1B | doub | 1.48Å | 1.50Å | |
PB | O2B | sing | 1.61Å | 1.55Å | |
PB | O3B | sing | 1.61Å | 1.52Å | |
PB | O3A | sing | 1.61Å | 1.61Å | |
O2B | HOB2 | sing | 0.97Å | 0.95Å | |
O3B | HOB3 | sing | 0.97Å | 0.95Å | |
PA | O1A | doub | 1.48Å | 1.45Å | |
PA | O2A | sing | 1.61Å | 1.46Å | |
PA | O3A | sing | 1.61Å | 1.62Å | |
PA | O5' | sing | 1.61Å | 1.54Å | |
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 | 1.12Å | |
C5' | H5'2 | sing | 1.09Å | 1.11Å | |
C4' | O4' | sing | 1.45Å | 1.45Å | |
C4' | C3' | sing | 1.55Å | 1.49Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
O4' | C1' | sing | 1.44Å | 1.45Å | |
C3' | O3' | sing | 1.44Å | 1.45Å | |
C3' | C2' | sing | 1.54Å | 1.50Å | |
C3' | H3' | sing | 1.09Å | 1.11Å | |
O3' | V | sing | 1.87Å | 2.00Å | |
C2' | O2' | sing | 1.46Å | 1.43Å | |
C2' | C1' | sing | 1.55Å | 1.48Å | |
C2' | H2' | sing | 1.09Å | 1.12Å | |
O2' | V | sing | 1.87Å | 1.96Å | |
C1' | N9 | sing | 1.47Å | 1.43Å | |
C1' | H1' | sing | 1.09Å | 1.12Å | |
N9 | C8 | sing | 1.36Å | 1.35Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.32Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.32Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
N7 | C5 | sing | 1.36Å | 1.33Å | Aromatic |
C5 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
C5 | C4 | sing | 1.40Å | 1.43Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.35Å | |
C6 | N1 | sing | 1.33Å | 1.38Å | Aromatic |
N6 | HN61 | sing | 0.97Å | 1.02Å | |
N6 | HN62 | sing | 0.97Å | 1.02Å | |
N1 | C2 | doub | 1.32Å | 1.38Å | Aromatic |
C2 | N3 | sing | 1.32Å | 1.33Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.10Å | |
N3 | C4 | doub | 1.33Å | 1.40Å | Aromatic |
V | O1V | doub | 1.58Å | 1.62Å | |
V | O2V | sing | 1.84Å | 1.59Å | |
O2V | HV | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1B | PB | O2B | 115.4° | 109.5° |
O1B | PB | O3B | 112.2° | 109.5° |
O1B | PB | O3A | 102.8° | 109.4° |
O2B | PB | O3B | 111.8° | 109.5° |
O2B | PB | O3A | 107.1° | 109.4° |
PB | O2B | HOB2 | 115.4° | 113.9° |
O3B | PB | O3A | 106.6° | 109.5° |
PB | O3B | HOB3 | 112.2° | 114.0° |
PB | O3A | PA | 132.2° | 134.0° |
O1A | PA | O2A | 117.1° | 109.5° |
O1A | PA | O3A | 111.2° | 109.5° |
O1A | PA | O5' | 102.7° | 109.5° |
O2A | PA | O3A | 108.5° | 109.5° |
O2A | PA | O5' | 114.2° | 109.5° |
PA | O2A | HOA2 | 117.1° | 114.0° |
O3A | PA | O5' | 102.1° | 109.5° |
PA | O5' | C5' | 122.5° | 123.0° |
O5' | C5' | C4' | 108.3° | 109.5° |
O5' | C5' | H5'1 | 112.6° | 109.5° |
O5' | C5' | H5'2 | 112.6° | 109.4° |
C4' | C5' | H5'1 | 112.6° | 109.5° |
C4' | C5' | H5'2 | 112.7° | 109.5° |
C5' | C4' | O4' | 112.0° | 110.7° |
C5' | C4' | C3' | 118.5° | 110.7° |
C5' | C4' | H4' | 99.4° | 110.7° |
H5'1 | C5' | H5'2 | 97.8° | 109.4° |
O4' | C4' | C3' | 104.0° | 103.1° |
O4' | C4' | H4' | 115.2° | 110.7° |
C4' | O4' | C1' | 111.3° | 107.1° |
C3' | C4' | H4' | 108.1° | 110.8° |
C4' | C3' | O3' | 111.6° | 110.2° |
C4' | C3' | C2' | 106.0° | 102.7° |
C4' | C3' | H3' | 110.6° | 108.9° |
O4' | C1' | C2' | 102.6° | 107.3° |
O4' | C1' | N9 | 108.3° | 109.9° |
O4' | C1' | H1' | 116.5° | 109.9° |
O3' | C3' | C2' | 110.0° | 116.8° |
O3' | C3' | H3' | 106.7° | 109.2° |
C3' | O3' | V | 114.9° | 101.5° |
C2' | C3' | H3' | 112.1° | 108.6° |
C3' | C2' | O2' | 108.4° | 112.7° |
C3' | C2' | C1' | 103.8° | 103.8° |
C3' | C2' | H2' | 115.6° | 110.9° |
O3' | V | O2' | 80.9° | 97.8° |
O3' | V | O1V | 110.0° | 111.7° |
O3' | V | O2V | 136.6° | 111.7° |
O2' | C2' | C1' | 114.3° | 106.6° |
O2' | C2' | H2' | 105.3° | 110.8° |
C2' | O2' | V | 114.2° | 98.8° |
C1' | C2' | H2' | 109.8° | 111.8° |
C2' | C1' | N9 | 114.7° | 109.9° |
C2' | C1' | H1' | 110.3° | 109.8° |
O2' | V | O1V | 104.8° | 111.8° |
O2' | V | O2V | 94.3° | 111.7° |
N9 | C1' | H1' | 104.8° | 110.0° |
C1' | N9 | C8 | 129.9° | 126.3° |
C1' | N9 | C4 | 121.8° | 126.3° |
C8 | N9 | C4 | 108.3° | 107.5° |
N9 | C8 | N7 | 110.4° | 110.0° |
N9 | C8 | H8 | 125.6° | 125.0° |
N9 | C4 | C5 | 106.2° | 106.0° |
N9 | C4 | N3 | 133.6° | 134.9° |
N7 | C8 | H8 | 123.9° | 124.9° |
C8 | N7 | C5 | 107.7° | 109.4° |
N7 | C5 | C6 | 135.0° | 134.7° |
N7 | C5 | C4 | 107.4° | 107.1° |
C6 | C5 | C4 | 117.6° | 118.2° |
C5 | C6 | N6 | 121.7° | 120.8° |
C5 | C6 | N1 | 118.8° | 118.4° |
C5 | C4 | N3 | 120.3° | 119.1° |
N6 | C6 | N1 | 119.5° | 120.8° |
C6 | N6 | HN61 | 121.7° | 120.0° |
C6 | N6 | HN62 | 107.8° | 120.0° |
C6 | N1 | C2 | 122.8° | 121.2° |
HN61 | N6 | HN62 | 107.8° | 119.9° |
N1 | C2 | N3 | 119.8° | 122.5° |
N1 | C2 | H2 | 122.1° | 118.8° |
N3 | C2 | H2 | 118.1° | 118.7° |
C2 | N3 | C4 | 120.8° | 120.6° |
O1V | V | O2V | 112.9° | 111.5° |
V | O2V | HV | 136.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1B | PB | O2B | O3B | 129.9° | 120.1° |
O1B | PB | O2B | O3A | 113.7° | 119.9° |
O1B | PB | O3B | O3A | 111.8° | 120.0° |
O1B | PB | O2B | HOB2 | 180.0° | 60.0° |
O1B | PB | O3B | HOB3 | 180.0° | 180.0° |
O1B | PB | O3A | PA | 145.3° | 40.0° |
O2B | PB | O3B | O3A | 116.7° | 120.0° |
O2B | PB | O3B | HOB3 | 48.5° | 60.0° |
O2B | PB | O3A | PA | 23.3° | 160.0° |
O3B | PB | O2B | HOB2 | 50.1° | 60.0° |
O3B | PB | O3A | PA | 96.5° | 80.0° |
O3A | PB | O2B | HOB2 | 66.3° | 180.0° |
O3A | PB | O3B | HOB3 | 68.2° | 60.0° |
PB | O3A | PA | O1A | 68.6° | 40.0° |
PB | O3A | PA | O2A | 61.6° | 80.0° |
PB | O3A | PA | O5' | 177.5° | 160.0° |
O1A | PA | O2A | O3A | 126.9° | 120.0° |
O1A | PA | O2A | O5' | 120.0° | 120.0° |
O1A | PA | O3A | O5' | 108.9° | 120.0° |
O1A | PA | O2A | HOA2 | 180.0° | 180.0° |
O1A | PA | O5' | C5' | 177.9° | 55.0° |
O2A | PA | O3A | O5' | 120.9° | 120.0° |
O2A | PA | O5' | C5' | 50.1° | 65.0° |
O3A | PA | O2A | HOA2 | 53.1° | 60.0° |
O3A | PA | O5' | C5' | 66.7° | 175.0° |
O5' | PA | O2A | HOA2 | 59.9° | 60.0° |
PA | O5' | C5' | C4' | 156.2° | 180.0° |
PA | O5' | C5' | H5'1 | 30.9° | 59.9° |
PA | O5' | C5' | H5'2 | 78.6° | 60.0° |
O5' | C5' | C4' | H5'1 | 125.2° | 120.1° |
O5' | C5' | C4' | H5'2 | 125.2° | 120.0° |
O5' | C5' | H5'1 | H5'2 | 118.5° | 119.9° |
O5' | C5' | C4' | O4' | 72.8° | 66.5° |
O5' | C5' | C4' | C3' | 48.3° | 179.9° |
O5' | C5' | C4' | H4' | 165.0° | 56.6° |
C4' | C5' | H5'1 | H5'2 | 118.6° | 120.0° |
C5' | C4' | O4' | C3' | 129.2° | 118.4° |
C5' | C4' | O4' | H4' | 112.7° | 123.1° |
C5' | C4' | C3' | H4' | 112.0° | 123.2° |
C5' | C4' | O4' | C1' | 135.8° | 158.0° |
C5' | C4' | C3' | O3' | 130.8° | 78.8° |
C5' | C4' | C3' | C2' | 109.5° | 156.0° |
C5' | C4' | C3' | H3' | 12.3° | 41.0° |
H5'1 | C5' | C4' | O4' | 162.0° | 53.5° |
H5'1 | C5' | C4' | C3' | 76.9° | 60.1° |
H5'1 | C5' | C4' | H4' | 39.8° | 176.7° |
H5'2 | C5' | C4' | O4' | 52.4° | 173.5° |
H5'2 | C5' | C4' | C3' | 173.6° | 59.9° |
H5'2 | C5' | C4' | H4' | 69.7° | 63.4° |
O4' | C4' | C3' | H4' | 122.9° | 118.5° |
O4' | C4' | C3' | O3' | 104.0° | 162.9° |
O4' | C4' | C3' | C2' | 15.7° | 37.7° |
O4' | C4' | C3' | H3' | 137.4° | 77.4° |
C4' | O4' | C1' | C2' | 26.2° | 25.5° |
C4' | O4' | C1' | N9 | 147.8° | 144.9° |
C4' | O4' | C1' | H1' | 94.4° | 93.9° |
C3' | C4' | O4' | C1' | 6.6° | 39.6° |
C4' | C3' | O3' | C2' | 117.3° | 116.7° |
C4' | C3' | O3' | H3' | 120.9° | 119.6° |
C4' | C3' | C2' | H3' | 120.8° | 115.3° |
C4' | C3' | O3' | V | 132.7° | 114.2° |
C4' | C3' | C2' | O2' | 153.6° | 92.8° |
C4' | C3' | C2' | C1' | 31.7° | 22.1° |
C4' | C3' | C2' | H2' | 88.6° | 142.3° |
H4' | C4' | O4' | C1' | 111.6° | 78.9° |
H4' | C4' | C3' | O3' | 18.9° | 44.4° |
H4' | C4' | C3' | C2' | 138.6° | 80.8° |
H4' | C4' | C3' | H3' | 99.7° | 164.1° |
O4' | C1' | C2' | C3' | 34.5° | 0.7° |
O4' | C1' | C2' | O2' | 152.3° | 119.9° |
O4' | C1' | C2' | N9 | 117.2° | 119.4° |
O4' | C1' | C2' | H1' | 124.8° | 119.4° |
O4' | C1' | C2' | H2' | 89.7° | 118.9° |
O4' | C1' | N9 | H1' | 125.0° | 121.1° |
O4' | C1' | N9 | C8 | 63.7° | 23.5° |
O4' | C1' | N9 | C4 | 115.1° | 156.7° |
O3' | C3' | C2' | H3' | 118.5° | 124.0° |
O3' | C3' | C2' | O2' | 32.8° | 28.0° |
O3' | C3' | C2' | C1' | 89.1° | 142.8° |
O3' | C3' | C2' | H2' | 150.7° | 97.0° |
C3' | O3' | V | O2' | 3.6° | 16.5° |
C3' | O3' | V | O1V | 98.9° | 133.7° |
C3' | O3' | V | O2V | 90.3° | 100.7° |
C2' | C3' | O3' | V | 15.4° | 2.5° |
C3' | C2' | O2' | C1' | 115.2° | 113.2° |
C3' | C2' | O2' | H2' | 124.3° | 125.0° |
C3' | C2' | C1' | H2' | 124.2° | 119.6° |
C3' | C2' | O2' | V | 37.5° | 35.5° |
C3' | C2' | C1' | N9 | 151.7° | 120.1° |
C3' | C2' | C1' | H1' | 90.3° | 118.7° |
H3' | C3' | O3' | V | 106.4° | 126.2° |
H3' | C3' | C2' | O2' | 85.6° | 151.9° |
H3' | C3' | C2' | C1' | 152.5° | 93.2° |
H3' | C3' | C2' | H2' | 32.2° | 27.0° |
O3' | V | O2' | C2' | 23.5° | 30.2° |
O3' | V | O2' | O1V | 108.5° | 117.1° |
O3' | V | O2' | O2V | 136.5° | 117.2° |
O3' | V | O1V | O2V | 173.1° | 125.8° |
O3' | V | O2V | HV | 180.0° | 180.0° |
O2' | C2' | C1' | H2' | 118.0° | 121.3° |
O2' | C2' | C1' | N9 | 90.5° | 120.7° |
O2' | C2' | C1' | H1' | 27.6° | 0.5° |
C2' | O2' | V | O1V | 85.0° | 147.4° |
C2' | O2' | V | O2V | 160.0° | 86.9° |
C1' | C2' | O2' | V | 77.7° | 148.6° |
C2' | C1' | N9 | H1' | 121.1° | 121.0° |
C2' | C1' | N9 | C8 | 50.2° | 94.3° |
C2' | C1' | N9 | C4 | 131.0° | 85.4° |
H2' | C2' | O2' | V | 161.7° | 89.5° |
H2' | C2' | C1' | N9 | 27.5° | 0.6° |
H2' | C2' | C1' | H1' | 145.6° | 121.7° |
O2' | V | O1V | O2V | 101.3° | 125.9° |
O2' | V | O2V | HV | 98.7° | 71.6° |
C1' | N9 | C8 | C4 | 178.9° | 179.8° |
C1' | N9 | C8 | N7 | 178.7° | 180.0° |
C1' | N9 | C8 | H8 | 1.3° | 0.0° |
C1' | N9 | C4 | C5 | 178.5° | 179.9° |
C1' | N9 | C4 | N3 | 1.1° | 0.8° |
H1' | C1' | N9 | C8 | 171.3° | 144.6° |
H1' | C1' | N9 | C4 | 9.9° | 35.6° |
N9 | C8 | N7 | H8 | 180.0° | 180.0° |
N9 | C8 | N7 | C5 | 0.2° | 0.0° |
C8 | N9 | C4 | C5 | 0.5° | 0.4° |
C8 | N9 | C4 | N3 | 179.9° | 179.4° |
C4 | N9 | C8 | N7 | 0.2° | 0.2° |
C4 | N9 | C8 | H8 | 179.7° | 179.8° |
N9 | C4 | C5 | N7 | 0.6° | 0.4° |
N9 | C4 | C5 | C6 | 179.4° | 179.8° |
N9 | C4 | C5 | N3 | 179.6° | 179.3° |
N9 | C4 | N3 | C2 | 179.6° | 179.6° |
C8 | N7 | C5 | C6 | 179.5° | 180.0° |
C8 | N7 | C5 | C4 | 0.5° | 0.3° |
H8 | C8 | N7 | C5 | 179.8° | 180.0° |
N7 | C5 | C6 | C4 | 180.0° | 179.7° |
N7 | C5 | C6 | N6 | 0.1° | 0.0° |
N7 | C5 | C6 | N1 | 179.7° | 180.0° |
N7 | C5 | C4 | N3 | 179.7° | 179.6° |
C5 | C6 | N6 | N1 | 179.8° | 180.0° |
C5 | C6 | N6 | HN61 | 180.0° | 0.0° |
C5 | C6 | N6 | HN62 | 54.8° | 180.0° |
C5 | C6 | N1 | C2 | 0.0° | 0.0° |
C6 | C5 | C4 | N3 | 0.2° | 0.6° |
C4 | C5 | C6 | N6 | 179.9° | 179.7° |
C4 | C5 | C6 | N1 | 0.3° | 0.3° |
C5 | C4 | N3 | C2 | 0.0° | 0.6° |
C6 | N6 | HN61 | HN62 | 125.2° | 180.0° |
N6 | C6 | N1 | C2 | 179.8° | 180.0° |
N1 | C6 | N6 | HN61 | 0.2° | 180.0° |
N1 | C6 | N6 | HN62 | 125.0° | 0.0° |
C6 | N1 | C2 | N3 | 0.3° | 0.1° |
C6 | N1 | C2 | H2 | 179.7° | 180.0° |
N1 | C2 | N3 | H2 | 180.0° | 179.9° |
N1 | C2 | N3 | C4 | 0.3° | 0.4° |
H2 | C2 | N3 | C4 | 179.6° | 179.7° |
O1V | V | O2V | HV | 9.4° | 54.3° |