AP2
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 | 1.46Å | |
PB | O3B | sing | 1.61Å | 1.51Å | |
PB | C3A | sing | 1.82Å | 1.75Å | |
O2B | HOB2 | sing | 0.97Å | 0.95Å | |
O3B | HOB3 | sing | 0.97Å | 0.95Å | |
C3A | PA | sing | 1.82Å | 1.63Å | |
C3A | H3A1 | sing | 1.09Å | 1.12Å | |
C3A | H3A2 | sing | 1.09Å | 1.12Å | |
PA | O1A | doub | 1.48Å | 1.47Å | |
PA | O2A | sing | 1.61Å | 1.48Å | |
PA | O5' | sing | 1.61Å | 1.60Å | |
O2A | HOA2 | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.46Å | |
C5' | C4' | sing | 1.53Å | 1.56Å | |
C5' | H5'1 | sing | 1.09Å | 1.12Å | |
C5' | H5'2 | sing | 1.09Å | 1.11Å | |
C4' | O4' | sing | 1.44Å | 1.46Å | |
C4' | C3' | sing | 1.54Å | 1.53Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
O4' | C1' | sing | 1.44Å | 1.49Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
C3' | C2' | sing | 1.55Å | 1.62Å | |
C3' | H3' | sing | 1.09Å | 1.11Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C2' | O2' | sing | 1.43Å | 1.45Å | |
C2' | C1' | sing | 1.54Å | 1.51Å | |
C2' | H2' | sing | 1.09Å | 1.11Å | |
O2' | HO2' | sing | 0.97Å | 0.95Å | |
C1' | N9 | sing | 1.46Å | 1.50Å | |
C1' | H1' | sing | 1.09Å | 1.11Å | |
N9 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.40Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.32Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
N7 | C5 | sing | 1.35Å | 1.42Å | Aromatic |
C5 | C6 | sing | 1.41Å | 1.48Å | Aromatic |
C5 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.35Å | |
C6 | N1 | doub | 1.33Å | 1.36Å | 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 | 1.35Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.10Å | |
N3 | C4 | sing | 1.33Å | 1.39Å | Aromatic |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1B | PB | O2B | 111.0° | 109.4° |
O1B | PB | O3B | 117.7° | 109.5° |
O1B | PB | C3A | 102.1° | 109.5° |
O2B | PB | O3B | 110.5° | 109.5° |
O2B | PB | C3A | 107.9° | 109.5° |
PB | O2B | HOB2 | 111.0° | 106.8° |
O3B | PB | C3A | 106.7° | 109.5° |
PB | O3B | HOB3 | 117.7° | 106.8° |
PB | C3A | PA | 132.0° | 109.5° |
PB | C3A | H3A1 | 104.4° | 109.5° |
PB | C3A | H3A2 | 104.4° | 109.5° |
PA | C3A | H3A1 | 104.4° | 109.5° |
PA | C3A | H3A2 | 104.4° | 109.5° |
C3A | PA | O1A | 116.1° | 109.5° |
C3A | PA | O2A | 114.7° | 109.5° |
C3A | PA | O5' | 107.0° | 109.5° |
H3A1 | C3A | H3A2 | 104.4° | 109.5° |
O1A | PA | O2A | 102.8° | 109.4° |
O1A | PA | O5' | 106.5° | 109.4° |
O2A | PA | O5' | 109.3° | 109.5° |
PA | O2A | HOA2 | 114.7° | 106.8° |
PA | O5' | C5' | 116.6° | 106.8° |
O5' | C5' | C4' | 114.8° | 109.5° |
O5' | C5' | H5'1 | 110.2° | 109.5° |
O5' | C5' | H5'2 | 110.2° | 109.5° |
C4' | C5' | H5'1 | 110.3° | 109.4° |
C4' | C5' | H5'2 | 110.3° | 109.4° |
C5' | C4' | O4' | 115.6° | 110.4° |
C5' | C4' | C3' | 101.1° | 110.5° |
C5' | C4' | H4' | 109.6° | 110.3° |
H5'1 | C5' | H5'2 | 100.0° | 109.5° |
O4' | C4' | C3' | 104.6° | 104.8° |
O4' | C4' | H4' | 106.4° | 110.4° |
C4' | O4' | C1' | 103.4° | 105.3° |
C3' | C4' | H4' | 119.9° | 110.3° |
C4' | C3' | O3' | 110.6° | 110.6° |
C4' | C3' | C2' | 105.4° | 104.1° |
C4' | C3' | H3' | 112.2° | 110.5° |
O4' | C1' | C2' | 102.7° | 104.9° |
O4' | C1' | N9 | 108.0° | 110.4° |
O4' | C1' | H1' | 118.5° | 110.4° |
O3' | C3' | C2' | 111.8° | 110.6° |
O3' | C3' | H3' | 106.0° | 110.4° |
C3' | O3' | HO3' | 110.5° | 106.8° |
C2' | C3' | H3' | 111.1° | 110.6° |
C3' | C2' | O2' | 124.0° | 110.5° |
C3' | C2' | C1' | 97.6° | 104.0° |
C3' | C2' | H2' | 108.7° | 110.5° |
O2' | C2' | C1' | 110.2° | 110.8° |
O2' | C2' | H2' | 95.7° | 110.4° |
C2' | O2' | HO2' | 123.9° | 106.8° |
C1' | C2' | H2' | 122.9° | 110.4° |
C2' | C1' | N9 | 118.9° | 110.4° |
C2' | C1' | H1' | 107.5° | 110.3° |
N9 | C1' | H1' | 102.2° | 110.3° |
C1' | N9 | C8 | 126.6° | 126.2° |
C1' | N9 | C4 | 126.0° | 126.3° |
C8 | N9 | C4 | 104.8° | 107.5° |
N9 | C8 | N7 | 115.6° | 109.9° |
N9 | C8 | H8 | 124.3° | 125.0° |
N9 | C4 | C5 | 105.7° | 106.0° |
N9 | C4 | N3 | 127.1° | 135.0° |
N7 | C8 | H8 | 120.1° | 125.0° |
C8 | N7 | C5 | 102.2° | 109.5° |
N7 | C5 | C6 | 132.1° | 134.7° |
N7 | C5 | C4 | 111.8° | 107.1° |
C6 | C5 | C4 | 116.1° | 118.2° |
C5 | C6 | N6 | 121.0° | 120.8° |
C5 | C6 | N1 | 114.7° | 118.5° |
C5 | C4 | N3 | 127.2° | 119.0° |
N6 | C6 | N1 | 124.3° | 120.8° |
C6 | N6 | HN61 | 121.0° | 120.0° |
C6 | N6 | HN62 | 108.1° | 120.0° |
C6 | N1 | C2 | 124.7° | 121.2° |
HN61 | N6 | HN62 | 108.1° | 120.0° |
N1 | C2 | N3 | 124.2° | 122.4° |
N1 | C2 | H2 | 118.0° | 118.8° |
N3 | C2 | H2 | 117.8° | 118.8° |
C2 | N3 | C4 | 113.0° | 120.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1B | PB | O2B | O3B | 132.5° | 120.0° |
O1B | PB | O2B | C3A | 111.2° | 120.0° |
O1B | PB | O3B | C3A | 113.9° | 120.0° |
O1B | PB | O2B | HOB2 | 180.0° | 60.0° |
O1B | PB | O3B | HOB3 | 180.0° | 180.0° |
O1B | PB | C3A | PA | 178.9° | 60.0° |
O1B | PB | C3A | H3A1 | 53.6° | 60.0° |
O1B | PB | C3A | H3A2 | 55.8° | 180.0° |
O2B | PB | O3B | C3A | 117.1° | 120.0° |
O2B | PB | O3B | HOB3 | 51.0° | 60.0° |
O2B | PB | C3A | PA | 61.8° | 180.0° |
O2B | PB | C3A | H3A1 | 63.5° | 59.9° |
O2B | PB | C3A | H3A2 | 172.9° | 60.1° |
O3B | PB | O2B | HOB2 | 47.5° | 59.9° |
O3B | PB | C3A | PA | 56.9° | 60.0° |
O3B | PB | C3A | H3A1 | 177.8° | 180.0° |
O3B | PB | C3A | H3A2 | 68.4° | 60.0° |
C3A | PB | O2B | HOB2 | 68.8° | 180.0° |
C3A | PB | O3B | HOB3 | 66.1° | 60.0° |
PB | C3A | PA | H3A1 | 125.3° | 120.0° |
PB | C3A | PA | H3A2 | 125.3° | 120.0° |
PB | C3A | H3A1 | H3A2 | 109.4° | 120.0° |
PB | C3A | PA | O1A | 41.3° | 60.0° |
PB | C3A | PA | O2A | 161.1° | 60.0° |
PB | C3A | PA | O5' | 77.4° | 180.0° |
PA | C3A | H3A1 | H3A2 | 109.4° | 120.0° |
C3A | PA | O1A | O2A | 126.0° | 120.0° |
C3A | PA | O1A | O5' | 119.0° | 120.0° |
C3A | PA | O2A | O5' | 120.2° | 120.0° |
C3A | PA | O2A | HOA2 | 180.0° | 60.0° |
C3A | PA | O5' | C5' | 54.3° | 180.0° |
H3A1 | C3A | PA | O1A | 84.0° | 60.0° |
H3A1 | C3A | PA | O2A | 35.8° | 180.0° |
H3A1 | C3A | PA | O5' | 157.3° | 60.0° |
H3A2 | C3A | PA | O1A | 166.6° | 180.0° |
H3A2 | C3A | PA | O2A | 73.6° | 60.0° |
H3A2 | C3A | PA | O5' | 47.9° | 60.0° |
O1A | PA | O2A | O5' | 112.9° | 120.0° |
O1A | PA | O2A | HOA2 | 53.1° | 180.0° |
O1A | PA | O5' | C5' | 70.4° | 60.0° |
O2A | PA | O5' | C5' | 179.1° | 60.0° |
O5' | PA | O2A | HOA2 | 59.8° | 60.0° |
PA | O5' | C5' | C4' | 154.1° | 180.0° |
PA | O5' | C5' | H5'1 | 80.6° | 60.0° |
PA | O5' | C5' | H5'2 | 28.8° | 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 | 116.0° | 120.0° |
O5' | C5' | C4' | O4' | 68.8° | 61.4° |
O5' | C5' | C4' | C3' | 178.9° | 176.9° |
O5' | C5' | C4' | H4' | 51.4° | 60.8° |
C4' | C5' | H5'1 | H5'2 | 116.2° | 119.9° |
C5' | C4' | O4' | C3' | 110.2° | 119.0° |
C5' | C4' | O4' | H4' | 122.0° | 122.2° |
C5' | C4' | C3' | H4' | 120.5° | 122.3° |
C5' | C4' | O4' | C1' | 143.8° | 159.5° |
C5' | C4' | C3' | O3' | 114.1° | 98.3° |
C5' | C4' | C3' | C2' | 124.9° | 143.0° |
C5' | C4' | C3' | H3' | 3.9° | 24.2° |
H5'1 | C5' | C4' | O4' | 56.5° | 178.5° |
H5'1 | C5' | C4' | C3' | 55.8° | 63.0° |
H5'1 | C5' | C4' | H4' | 176.7° | 59.2° |
H5'2 | C5' | C4' | O4' | 166.0° | 58.6° |
H5'2 | C5' | C4' | C3' | 53.7° | 56.9° |
H5'2 | C5' | C4' | H4' | 73.8° | 179.2° |
O4' | C4' | C3' | H4' | 119.1° | 118.8° |
O4' | C4' | C3' | O3' | 125.4° | 142.8° |
O4' | C4' | C3' | C2' | 4.5° | 24.0° |
O4' | C4' | C3' | H3' | 116.5° | 94.7° |
C4' | O4' | C1' | C2' | 52.2° | 40.4° |
C4' | O4' | C1' | N9 | 178.6° | 159.3° |
C4' | O4' | C1' | H1' | 66.0° | 78.4° |
C3' | C4' | O4' | C1' | 33.5° | 40.5° |
C4' | C3' | O3' | C2' | 117.1° | 114.7° |
C4' | C3' | O3' | H3' | 121.8° | 122.6° |
C4' | C3' | C2' | H3' | 121.7° | 118.7° |
C4' | C3' | O3' | HO3' | 180.0° | 180.0° |
C4' | C3' | C2' | O2' | 145.7° | 118.8° |
C4' | C3' | C2' | C1' | 25.1° | 0.1° |
C4' | C3' | C2' | H2' | 103.4° | 118.6° |
H4' | C4' | O4' | C1' | 94.3° | 78.3° |
H4' | C4' | C3' | O3' | 6.4° | 23.9° |
H4' | C4' | C3' | C2' | 114.6° | 94.8° |
H4' | C4' | C3' | H3' | 124.4° | 146.5° |
O4' | C1' | C2' | C3' | 45.7° | 23.8° |
O4' | C1' | C2' | O2' | 176.2° | 142.6° |
O4' | C1' | C2' | N9 | 119.0° | 118.9° |
O4' | C1' | C2' | H1' | 125.7° | 118.9° |
O4' | C1' | C2' | H2' | 72.4° | 94.7° |
O4' | C1' | N9 | H1' | 125.7° | 122.3° |
O4' | C1' | N9 | C8 | 64.7° | 27.0° |
O4' | C1' | N9 | C4 | 136.5° | 153.0° |
O3' | C3' | C2' | H3' | 118.1° | 122.6° |
O3' | C3' | C2' | O2' | 25.5° | 0.1° |
O3' | C3' | C2' | C1' | 95.1° | 118.8° |
O3' | C3' | C2' | H2' | 136.4° | 122.7° |
C2' | C3' | O3' | HO3' | 62.9° | 65.3° |
C3' | C2' | O2' | C1' | 114.6° | 114.7° |
C3' | C2' | O2' | H2' | 117.2° | 122.6° |
C3' | C2' | C1' | H2' | 118.1° | 118.6° |
C3' | C2' | O2' | HO2' | 179.9° | 61.5° |
C3' | C2' | C1' | N9 | 164.7° | 142.8° |
C3' | C2' | C1' | H1' | 80.0° | 95.0° |
H3' | C3' | O3' | HO3' | 58.2° | 57.4° |
H3' | C3' | C2' | O2' | 92.6° | 122.5° |
H3' | C3' | C2' | C1' | 146.8° | 118.5° |
H3' | C3' | C2' | H2' | 18.3° | 0.0° |
O2' | C2' | C1' | H2' | 111.4° | 122.7° |
O2' | C2' | C1' | N9 | 64.8° | 98.5° |
O2' | C2' | C1' | H1' | 50.5° | 23.7° |
C1' | C2' | O2' | HO2' | 65.4° | 176.2° |
C2' | C1' | N9 | H1' | 118.1° | 122.2° |
C2' | C1' | N9 | C8 | 51.5° | 88.5° |
C2' | C1' | N9 | C4 | 107.3° | 91.5° |
H2' | C2' | O2' | HO2' | 62.8° | 61.1° |
H2' | C2' | C1' | N9 | 46.6° | 24.2° |
H2' | C2' | C1' | H1' | 161.8° | 146.4° |
C1' | N9 | C8 | C4 | 162.4° | 179.9° |
C1' | N9 | C8 | N7 | 162.5° | 180.0° |
C1' | N9 | C8 | H8 | 17.5° | 0.0° |
C1' | N9 | C4 | C5 | 162.6° | 179.8° |
C1' | N9 | C4 | N3 | 17.5° | 0.1° |
H1' | C1' | N9 | C8 | 169.6° | 149.3° |
H1' | C1' | N9 | C4 | 10.8° | 30.7° |
N9 | C8 | N7 | H8 | 180.0° | 180.0° |
N9 | C8 | N7 | C5 | 0.1° | 0.3° |
C8 | N9 | C4 | C5 | 0.1° | 0.2° |
C8 | N9 | C4 | N3 | 179.9° | 179.9° |
C4 | N9 | C8 | N7 | 0.1° | 0.0° |
C4 | N9 | C8 | H8 | 179.9° | 179.9° |
N9 | C4 | C5 | N7 | 0.1° | 0.3° |
N9 | C4 | C5 | C6 | 179.7° | 179.6° |
N9 | C4 | C5 | N3 | 179.8° | 179.9° |
N9 | C4 | N3 | C2 | 179.7° | 180.0° |
C8 | N7 | C5 | C6 | 179.7° | 179.5° |
C8 | N7 | C5 | C4 | 0.0° | 0.4° |
H8 | C8 | N7 | C5 | 180.0° | 179.7° |
N7 | C5 | C6 | C4 | 179.7° | 179.0° |
N7 | C5 | C6 | N6 | 0.3° | 0.7° |
N7 | C5 | C6 | N1 | 179.9° | 179.5° |
N7 | C5 | C4 | N3 | 179.9° | 179.8° |
C5 | C6 | N6 | N1 | 179.7° | 179.8° |
C5 | C6 | N6 | HN61 | 180.0° | 179.7° |
C5 | C6 | N6 | HN62 | 54.7° | 0.5° |
C5 | C6 | N1 | C2 | 0.2° | 0.2° |
C6 | C5 | C4 | N3 | 0.1° | 0.5° |
C4 | C5 | C6 | N6 | 179.9° | 179.7° |
C4 | C5 | C6 | N1 | 0.2° | 0.5° |
C5 | C4 | N3 | C2 | 0.1° | 0.2° |
C6 | N6 | HN61 | HN62 | 125.3° | 179.8° |
N6 | C6 | N1 | C2 | 180.0° | 180.0° |
N1 | C6 | N6 | HN61 | 0.3° | 0.0° |
N1 | C6 | N6 | HN62 | 125.1° | 179.7° |
C6 | N1 | C2 | N3 | 0.2° | 0.1° |
C6 | N1 | C2 | H2 | 179.8° | 180.0° |
N1 | C2 | N3 | H2 | 180.0° | 179.9° |
N1 | C2 | N3 | C4 | 0.1° | 0.1° |
H2 | C2 | N3 | C4 | 179.9° | 180.0° |