ADP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
PB | O1B | doub | 1.48Å | 1.49Å | |
PB | O2B | sing | 1.61Å | 1.46Å | |
PB | O3B | sing | 1.61Å | 1.50Å | |
PB | O3A | sing | 1.61Å | 1.69Å | |
O2B | HOB2 | sing | 0.97Å | 0.95Å | |
O3B | HOB3 | sing | 0.97Å | 0.95Å | |
PA | O1A | doub | 1.48Å | 1.47Å | |
PA | O2A | sing | 1.61Å | 1.51Å | |
PA | O3A | sing | 1.61Å | 1.59Å | |
PA | O5' | sing | 1.61Å | 1.58Å | |
O2A | HOA2 | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.44Å | |
C5' | C4' | sing | 1.53Å | 1.55Å | |
C5' | H5'1 | sing | 1.09Å | 1.11Å | |
C5' | H5'2 | sing | 1.09Å | 1.12Å | |
C4' | O4' | sing | 1.45Å | 1.44Å | |
C4' | C3' | sing | 1.54Å | 1.53Å | |
C4' | H4' | sing | 1.09Å | 1.12Å | |
O4' | C1' | sing | 1.44Å | 1.46Å | |
C3' | O3' | sing | 1.43Å | 1.44Å | |
C3' | C2' | sing | 1.55Å | 1.61Å | |
C3' | H3' | sing | 1.09Å | 1.12Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C2' | O2' | sing | 1.43Å | 1.44Å | |
C2' | C1' | sing | 1.54Å | 1.54Å | |
C2' | H2' | sing | 1.09Å | 1.11Å | |
O2' | HO2' | sing | 0.97Å | 0.95Å | |
C1' | N9 | sing | 1.46Å | 1.49Å | |
C1' | H1' | sing | 1.09Å | 1.12Å | |
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 | 1.40Å | Aromatic |
C5 | C6 | sing | 1.41Å | 1.45Å | Aromatic |
C5 | C4 | doub | 1.40Å | 1.37Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.33Å | |
C6 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
N6 | HN61 | sing | 0.97Å | 1.02Å | |
N6 | HN62 | sing | 0.97Å | 1.02Å | |
N1 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
C2 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.10Å | |
N3 | C4 | sing | 1.33Å | 1.37Å | Aromatic |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1B | PB | O2B | 106.8° | 109.5° |
O1B | PB | O3B | 119.4° | 109.5° |
O1B | PB | O3A | 99.9° | 109.5° |
O2B | PB | O3B | 116.9° | 109.5° |
O2B | PB | O3A | 106.2° | 109.4° |
PB | O2B | HOB2 | 106.8° | 106.8° |
O3B | PB | O3A | 105.4° | 109.5° |
PB | O3B | HOB3 | 119.4° | 106.8° |
PB | O3A | PA | 126.7° | 106.8° |
O1A | PA | O2A | 105.9° | 109.4° |
O1A | PA | O3A | 115.3° | 109.5° |
O1A | PA | O5' | 102.7° | 109.4° |
O2A | PA | O3A | 114.0° | 109.4° |
O2A | PA | O5' | 113.7° | 109.5° |
PA | O2A | HOA2 | 106.0° | 106.8° |
O3A | PA | O5' | 104.7° | 109.5° |
PA | O5' | C5' | 122.0° | 106.9° |
O5' | C5' | C4' | 103.7° | 109.5° |
O5' | C5' | H5'1 | 114.4° | 109.5° |
O5' | C5' | H5'2 | 114.4° | 109.4° |
C4' | C5' | H5'1 | 114.4° | 109.5° |
C4' | C5' | H5'2 | 114.4° | 109.5° |
C5' | C4' | O4' | 109.7° | 110.4° |
C5' | C4' | C3' | 106.8° | 110.5° |
C5' | C4' | H4' | 110.5° | 110.4° |
H5'1 | C5' | H5'2 | 96.1° | 109.5° |
O4' | C4' | C3' | 107.9° | 104.8° |
O4' | C4' | H4' | 109.6° | 110.3° |
C4' | O4' | C1' | 104.8° | 105.3° |
C3' | C4' | H4' | 112.2° | 110.3° |
C4' | C3' | O3' | 108.3° | 110.5° |
C4' | C3' | C2' | 102.6° | 104.1° |
C4' | C3' | H3' | 113.7° | 110.5° |
O4' | C1' | C2' | 103.7° | 104.9° |
O4' | C1' | N9 | 106.1° | 110.4° |
O4' | C1' | H1' | 121.2° | 110.4° |
O3' | C3' | C2' | 107.2° | 110.6° |
O3' | C3' | H3' | 109.7° | 110.5° |
C3' | O3' | HO3' | 108.3° | 106.8° |
C2' | C3' | H3' | 114.8° | 110.6° |
C3' | C2' | O2' | 122.1° | 110.5° |
C3' | C2' | C1' | 101.9° | 104.0° |
C3' | C2' | H2' | 106.8° | 110.5° |
O2' | C2' | C1' | 110.7° | 110.8° |
O2' | C2' | H2' | 97.4° | 110.5° |
C2' | O2' | HO2' | 122.1° | 106.8° |
C1' | C2' | H2' | 119.1° | 110.4° |
C2' | C1' | N9 | 123.2° | 110.4° |
C2' | C1' | H1' | 103.4° | 110.4° |
N9 | C1' | H1' | 100.7° | 110.2° |
C1' | N9 | C8 | 127.7° | 126.2° |
C1' | N9 | C4 | 125.9° | 126.4° |
C8 | N9 | C4 | 104.9° | 107.4° |
N9 | C8 | N7 | 115.4° | 110.0° |
N9 | C8 | H8 | 124.0° | 125.0° |
N9 | C4 | C5 | 105.8° | 106.1° |
N9 | C4 | N3 | 126.2° | 134.9° |
N7 | C8 | H8 | 120.6° | 125.0° |
C8 | N7 | C5 | 101.7° | 109.4° |
N7 | C5 | C6 | 131.5° | 134.6° |
N7 | C5 | C4 | 112.2° | 107.1° |
C6 | C5 | C4 | 116.4° | 118.2° |
C5 | C6 | N6 | 120.9° | 120.8° |
C5 | C6 | N1 | 114.6° | 118.4° |
C5 | C4 | N3 | 127.9° | 119.0° |
N6 | C6 | N1 | 124.5° | 120.8° |
C6 | N6 | HN61 | 120.9° | 120.0° |
C6 | N6 | HN62 | 108.1° | 120.0° |
C6 | N1 | C2 | 124.7° | 121.2° |
HN61 | N6 | HN62 | 108.2° | 120.0° |
N1 | C2 | N3 | 124.4° | 122.5° |
N1 | C2 | H2 | 118.3° | 118.7° |
N3 | C2 | H2 | 117.3° | 118.8° |
C2 | N3 | C4 | 112.0° | 120.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1B | PB | O2B | O3B | 136.8° | 120.0° |
O1B | PB | O2B | O3A | 105.9° | 120.0° |
O1B | PB | O3B | O3A | 111.1° | 120.0° |
O1B | PB | O2B | HOB2 | 180.0° | 60.1° |
O1B | PB | O3B | HOB3 | 180.0° | 180.0° |
O1B | PB | O3A | PA | 173.7° | 60.0° |
O2B | PB | O3B | O3A | 117.7° | 120.0° |
O2B | PB | O3B | HOB3 | 48.8° | 60.0° |
O2B | PB | O3A | PA | 62.8° | 179.9° |
O3B | PB | O2B | HOB2 | 43.2° | 60.0° |
O3B | PB | O3A | PA | 61.9° | 60.0° |
O3A | PB | O2B | HOB2 | 74.1° | 180.0° |
O3A | PB | O3B | HOB3 | 69.0° | 60.0° |
PB | O3A | PA | O1A | 48.7° | 60.0° |
PB | O3A | PA | O2A | 74.2° | 60.0° |
PB | O3A | PA | O5' | 160.8° | 180.0° |
O1A | PA | O2A | O3A | 127.9° | 120.0° |
O1A | PA | O2A | O5' | 112.1° | 119.9° |
O1A | PA | O3A | O5' | 112.1° | 120.0° |
O1A | PA | O2A | HOA2 | 180.0° | 179.9° |
O1A | PA | O5' | C5' | 66.1° | 60.0° |
O2A | PA | O3A | O5' | 125.0° | 120.0° |
O2A | PA | O5' | C5' | 179.9° | 59.9° |
O3A | PA | O2A | HOA2 | 52.1° | 60.0° |
O3A | PA | O5' | C5' | 54.8° | 179.9° |
O5' | PA | O2A | HOA2 | 67.9° | 60.0° |
PA | O5' | C5' | C4' | 148.1° | 180.0° |
PA | O5' | C5' | H5'1 | 86.6° | 60.0° |
PA | O5' | C5' | H5'2 | 22.8° | 60.0° |
O5' | C5' | C4' | H5'1 | 125.3° | 120.0° |
O5' | C5' | C4' | H5'2 | 125.3° | 119.9° |
O5' | C5' | H5'1 | H5'2 | 120.3° | 119.9° |
O5' | C5' | C4' | O4' | 63.7° | 61.4° |
O5' | C5' | C4' | C3' | 179.6° | 176.9° |
O5' | C5' | C4' | H4' | 57.2° | 60.8° |
C4' | C5' | H5'1 | H5'2 | 120.3° | 120.1° |
C5' | C4' | O4' | C3' | 116.0° | 119.0° |
C5' | C4' | O4' | H4' | 121.5° | 122.3° |
C5' | C4' | C3' | H4' | 121.3° | 122.4° |
C5' | C4' | O4' | C1' | 151.9° | 159.5° |
C5' | C4' | C3' | O3' | 116.9° | 98.3° |
C5' | C4' | C3' | C2' | 130.0° | 143.0° |
C5' | C4' | C3' | H3' | 5.4° | 24.2° |
H5'1 | C5' | C4' | O4' | 61.6° | 178.6° |
H5'1 | C5' | C4' | C3' | 55.1° | 63.1° |
H5'1 | C5' | C4' | H4' | 177.5° | 59.2° |
H5'2 | C5' | C4' | O4' | 171.1° | 58.5° |
H5'2 | C5' | C4' | C3' | 54.3° | 57.0° |
H5'2 | C5' | C4' | H4' | 68.1° | 179.3° |
O4' | C4' | C3' | H4' | 120.8° | 118.7° |
O4' | C4' | C3' | O3' | 125.3° | 142.8° |
O4' | C4' | C3' | C2' | 12.2° | 24.0° |
O4' | C4' | C3' | H3' | 112.5° | 94.7° |
C4' | O4' | C1' | C2' | 45.1° | 40.4° |
C4' | O4' | C1' | N9 | 176.2° | 159.4° |
C4' | O4' | C1' | H1' | 70.1° | 78.5° |
C3' | C4' | O4' | C1' | 35.9° | 40.5° |
C4' | C3' | O3' | C2' | 110.1° | 114.7° |
C4' | C3' | O3' | H3' | 124.6° | 122.5° |
C4' | C3' | C2' | H3' | 123.9° | 118.6° |
C4' | C3' | O3' | HO3' | 180.0° | 180.0° |
C4' | C3' | C2' | O2' | 138.1° | 118.8° |
C4' | C3' | C2' | C1' | 14.2° | 0.1° |
C4' | C3' | C2' | H2' | 111.5° | 118.6° |
H4' | C4' | O4' | C1' | 86.6° | 78.2° |
H4' | C4' | C3' | O3' | 4.5° | 24.0° |
H4' | C4' | C3' | C2' | 108.7° | 94.7° |
H4' | C4' | C3' | H3' | 126.7° | 146.6° |
O4' | C1' | C2' | C3' | 35.7° | 23.8° |
O4' | C1' | C2' | O2' | 166.9° | 142.6° |
O4' | C1' | C2' | N9 | 120.1° | 118.9° |
O4' | C1' | C2' | H1' | 127.3° | 118.9° |
O4' | C1' | C2' | H2' | 81.5° | 94.7° |
O4' | C1' | N9 | H1' | 127.2° | 122.2° |
O4' | C1' | N9 | C8 | 59.6° | 27.1° |
O4' | C1' | N9 | C4 | 136.5° | 153.0° |
O3' | C3' | C2' | H3' | 122.1° | 122.7° |
O3' | C3' | C2' | O2' | 24.2° | 0.1° |
O3' | C3' | C2' | C1' | 99.8° | 118.8° |
O3' | C3' | C2' | H2' | 134.6° | 122.7° |
C2' | C3' | O3' | HO3' | 70.0° | 65.3° |
C3' | C2' | O2' | C1' | 119.8° | 114.7° |
C3' | C2' | O2' | H2' | 115.2° | 122.6° |
C3' | C2' | C1' | H2' | 117.1° | 118.5° |
C3' | C2' | O2' | HO2' | 180.0° | 61.4° |
C3' | C2' | C1' | N9 | 155.8° | 142.8° |
C3' | C2' | C1' | H1' | 91.6° | 95.1° |
H3' | C3' | O3' | HO3' | 55.3° | 57.5° |
H3' | C3' | C2' | O2' | 98.0° | 122.5° |
H3' | C3' | C2' | C1' | 138.1° | 118.5° |
H3' | C3' | C2' | H2' | 12.4° | 0.0° |
O2' | C2' | C1' | H2' | 111.6° | 122.7° |
O2' | C2' | C1' | N9 | 73.0° | 98.5° |
O2' | C2' | C1' | H1' | 39.6° | 23.7° |
C1' | C2' | O2' | HO2' | 60.2° | 176.2° |
C2' | C1' | N9 | H1' | 113.9° | 122.2° |
C2' | C1' | N9 | C8 | 59.3° | 88.5° |
C2' | C1' | N9 | C4 | 104.6° | 91.4° |
H2' | C2' | O2' | HO2' | 64.8° | 61.1° |
H2' | C2' | C1' | N9 | 38.6° | 24.3° |
H2' | C2' | C1' | H1' | 151.2° | 146.4° |
C1' | N9 | C8 | C4 | 166.6° | 179.9° |
C1' | N9 | C8 | N7 | 164.2° | 180.0° |
C1' | N9 | C8 | H8 | 15.8° | 0.1° |
C1' | N9 | C4 | C5 | 164.7° | 179.7° |
C1' | N9 | C4 | N3 | 13.9° | 0.1° |
H1' | C1' | N9 | C8 | 173.3° | 149.3° |
H1' | C1' | N9 | C4 | 9.4° | 30.8° |
N9 | C8 | N7 | H8 | 179.9° | 179.9° |
N9 | C8 | N7 | C5 | 1.4° | 0.3° |
C8 | N9 | C4 | C5 | 2.1° | 0.2° |
C8 | N9 | C4 | N3 | 179.2° | 180.0° |
C4 | N9 | C8 | N7 | 2.3° | 0.1° |
C4 | N9 | C8 | H8 | 177.6° | 180.0° |
N9 | C4 | C5 | N7 | 1.5° | 0.4° |
N9 | C4 | C5 | C6 | 178.6° | 179.6° |
N9 | C4 | C5 | N3 | 178.6° | 179.8° |
N9 | C4 | N3 | C2 | 178.2° | 180.0° |
C8 | N7 | C5 | C6 | 179.9° | 179.5° |
C8 | N7 | C5 | C4 | 0.1° | 0.4° |
H8 | C8 | N7 | C5 | 178.6° | 179.8° |
N7 | C5 | C6 | C4 | 179.9° | 179.0° |
N7 | C5 | C6 | N6 | 0.9° | 0.7° |
N7 | C5 | C6 | N1 | 179.3° | 179.6° |
N7 | C5 | C4 | N3 | 179.9° | 179.8° |
C5 | C6 | N6 | N1 | 179.8° | 179.7° |
C5 | C6 | N6 | HN61 | 180.0° | 179.7° |
C5 | C6 | N6 | HN62 | 54.7° | 0.5° |
C5 | C6 | N1 | C2 | 1.5° | 0.3° |
C6 | C5 | C4 | N3 | 0.1° | 0.5° |
C4 | C5 | C6 | N6 | 179.1° | 179.7° |
C4 | C5 | C6 | N1 | 0.7° | 0.6° |
C5 | C4 | N3 | C2 | 0.1° | 0.2° |
C6 | N6 | HN61 | HN62 | 125.3° | 179.8° |
N6 | C6 | N1 | C2 | 178.3° | 180.0° |
N1 | C6 | N6 | HN61 | 0.2° | 0.0° |
N1 | C6 | N6 | HN62 | 125.1° | 179.8° |
C6 | N1 | C2 | N3 | 1.7° | 0.0° |
C6 | N1 | C2 | H2 | 178.3° | 179.9° |
N1 | C2 | N3 | H2 | 180.0° | 179.9° |
N1 | C2 | N3 | C4 | 0.9° | 0.1° |
H2 | C2 | N3 | C4 | 179.1° | 180.0° |