MNT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
PB | O1B | doub | 1.48Å | 1.47Å | |
PB | O2B | sing | 1.61Å | 1.51Å | |
PB | O3B | sing | 1.61Å | 1.58Å | |
PB | O3A | sing | 1.61Å | 1.68Å | |
O2B | HOB2 | sing | 0.97Å | 0.95Å | |
O3B | HOB3 | sing | 0.97Å | 0.95Å | |
PA | O1A | doub | 1.48Å | 1.49Å | |
PA | O2A | sing | 1.61Å | 1.48Å | |
PA | O3A | sing | 1.61Å | 1.55Å | |
PA | O5' | sing | 1.61Å | 1.62Å | |
O2A | HOA2 | sing | 0.97Å | 0.95Å | |
O5' | C5B | sing | 1.43Å | 1.45Å | |
C5B | C4B | sing | 1.53Å | 1.52Å | |
C5B | H5'1 | sing | 1.09Å | 1.11Å | |
C5B | H5'2 | sing | 1.09Å | 1.12Å | |
C4B | O4' | sing | 1.45Å | 1.41Å | |
C4B | C3B | sing | 1.54Å | 1.52Å | |
C4B | H4B | sing | 1.09Å | 1.11Å | |
O4' | C1B | sing | 1.44Å | 1.43Å | |
C3B | O3' | sing | 1.45Å | 1.43Å | |
C3B | C2B | sing | 1.55Å | 1.32Å | |
C3B | H3B | sing | 1.09Å | 1.12Å | |
O3' | C' | sing | 1.35Å | 1.40Å | |
C2B | C1B | sing | 1.54Å | 1.50Å | |
C2B | H2'1 | sing | 1.09Å | 1.12Å | |
C2B | H2'2 | sing | 1.09Å | 1.11Å | |
C1B | N9 | sing | 1.47Å | 1.49Å | |
C1B | H1' | sing | 1.09Å | 1.11Å | |
N9 | C8 | sing | 1.36Å | 1.39Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.34Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.39Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
C5 | C6 | sing | 1.41Å | 1.42Å | Aromatic |
C5 | C4 | doub | 1.40Å | 1.42Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.32Å | |
C6 | N1 | doub | 1.33Å | 1.37Å | Aromatic |
N6 | HN61 | sing | 0.97Å | 1.02Å | |
N6 | HN62 | sing | 0.97Å | 1.02Å | |
N1 | C2 | sing | 1.32Å | 1.39Å | Aromatic |
C2 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.10Å | |
N3 | C4 | sing | 1.33Å | 1.35Å | Aromatic |
C' | O1' | doub | 1.21Å | 1.21Å | |
C' | C1' | sing | 1.47Å | 1.53Å | |
C1' | C2' | doub | 1.40Å | 1.46Å | Aromatic |
C1' | C6' | sing | 1.40Å | 1.45Å | Aromatic |
C2' | N2' | sing | 1.39Å | 1.36Å | |
C2' | C3' | sing | 1.39Å | 1.44Å | Aromatic |
N2' | CM' | sing | 1.46Å | 1.44Å | |
N2' | HN2' | sing | 0.97Å | 1.02Å | |
CM' | HM'1 | sing | 1.09Å | 1.12Å | |
CM' | HM'2 | sing | 1.09Å | 1.12Å | |
CM' | HM'3 | sing | 1.09Å | 1.11Å | |
C3' | C4' | doub | 1.38Å | 1.41Å | Aromatic |
C3' | H3' | sing | 1.08Å | 1.10Å | |
C4' | C5' | sing | 1.39Å | 1.44Å | Aromatic |
C4' | H4' | sing | 1.08Å | 1.10Å | |
C5' | C6' | doub | 1.38Å | 1.42Å | 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) |
O1B | PB | O2B | 117.2° | 109.5° |
O1B | PB | O3B | 108.4° | 109.5° |
O1B | PB | O3A | 113.2° | 109.5° |
O2B | PB | O3B | 108.1° | 109.4° |
O2B | PB | O3A | 107.2° | 109.5° |
PB | O2B | HOB2 | 117.3° | 106.8° |
O3B | PB | O3A | 101.6° | 109.5° |
PB | O3B | HOB3 | 108.3° | 106.8° |
PB | O3A | PA | 129.7° | 106.8° |
O1A | PA | O2A | 118.0° | 109.4° |
O1A | PA | O3A | 112.3° | 109.5° |
O1A | PA | O5' | 103.6° | 109.4° |
O2A | PA | O3A | 107.2° | 109.4° |
O2A | PA | O5' | 113.2° | 109.5° |
PA | O2A | HOA2 | 118.0° | 106.8° |
O3A | PA | O5' | 101.4° | 109.5° |
PA | O5' | C5B | 117.3° | 106.9° |
O5' | C5B | C4B | 109.7° | 109.6° |
O5' | C5B | H5'1 | 112.1° | 109.5° |
O5' | C5B | H5'2 | 112.1° | 109.5° |
C4B | C5B | H5'1 | 112.1° | 109.5° |
C4B | C5B | H5'2 | 112.1° | 109.5° |
C5B | C4B | O4' | 106.6° | 110.3° |
C5B | C4B | C3B | 119.2° | 110.7° |
C5B | C4B | H4B | 103.1° | 110.3° |
H5'1 | C5B | H5'2 | 98.3° | 109.3° |
O4' | C4B | C3B | 102.9° | 104.8° |
O4' | C4B | H4B | 119.3° | 110.3° |
C4B | O4' | C1B | 111.6° | 105.3° |
C3B | C4B | H4B | 106.8° | 110.3° |
C4B | C3B | O3' | 119.2° | 110.6° |
C4B | C3B | C2B | 111.0° | 104.2° |
C4B | C3B | H3B | 105.4° | 110.5° |
O4' | C1B | C2B | 104.4° | 104.8° |
O4' | C1B | N9 | 103.4° | 110.5° |
O4' | C1B | H1' | 117.1° | 110.4° |
O3' | C3B | C2B | 119.2° | 110.5° |
O3' | C3B | H3B | 92.5° | 110.4° |
C3B | O3' | C' | 124.4° | 120.1° |
C2B | C3B | H3B | 105.4° | 110.4° |
C3B | C2B | C1B | 107.9° | 104.0° |
C3B | C2B | H2'1 | 112.8° | 110.5° |
C3B | C2B | H2'2 | 112.8° | 110.5° |
O3' | C' | O1' | 113.4° | 119.9° |
O3' | C' | C1' | 118.3° | 120.1° |
C1B | C2B | H2'1 | 112.8° | 110.6° |
C1B | C2B | H2'2 | 112.8° | 110.5° |
C2B | C1B | N9 | 111.6° | 110.3° |
C2B | C1B | H1' | 109.6° | 110.4° |
H2'1 | C2B | H2'2 | 97.6° | 110.6° |
N9 | C1B | H1' | 110.5° | 110.3° |
C1B | N9 | C8 | 133.5° | 126.3° |
C1B | N9 | C4 | 122.2° | 126.3° |
C8 | N9 | C4 | 104.3° | 107.4° |
N9 | C8 | N7 | 115.5° | 110.0° |
N9 | C8 | H8 | 122.1° | 125.0° |
N9 | C4 | C5 | 108.7° | 106.0° |
N9 | C4 | N3 | 121.7° | 134.9° |
N7 | C8 | H8 | 122.4° | 125.0° |
C8 | N7 | C5 | 100.2° | 109.4° |
N7 | C5 | C6 | 129.7° | 134.7° |
N7 | C5 | C4 | 111.2° | 107.2° |
C6 | C5 | C4 | 115.5° | 118.2° |
C5 | C6 | N6 | 127.8° | 120.8° |
C5 | C6 | N1 | 114.6° | 118.5° |
C5 | C4 | N3 | 129.6° | 119.1° |
N6 | C6 | N1 | 105.9° | 120.8° |
C6 | N6 | HN61 | 127.9° | 120.0° |
C6 | N6 | HN62 | 105.8° | 120.0° |
C6 | N1 | C2 | 118.6° | 121.2° |
HN61 | N6 | HN62 | 105.7° | 120.0° |
N1 | C2 | N3 | 131.1° | 122.4° |
N1 | C2 | H2 | 116.9° | 118.7° |
N3 | C2 | H2 | 112.1° | 118.8° |
C2 | N3 | C4 | 106.2° | 120.7° |
O1' | C' | C1' | 116.6° | 120.0° |
C' | C1' | C2' | 105.6° | 120.3° |
C' | C1' | C6' | 127.2° | 120.2° |
C2' | C1' | C6' | 119.8° | 119.5° |
C1' | C2' | N2' | 127.9° | 120.1° |
C1' | C2' | C3' | 116.3° | 119.7° |
C1' | C6' | C5' | 120.8° | 120.0° |
C1' | C6' | H6' | 120.4° | 120.0° |
N2' | C2' | C3' | 114.1° | 120.2° |
C2' | N2' | CM' | 121.7° | 120.0° |
C2' | N2' | HN2' | 107.8° | 120.1° |
C2' | C3' | C4' | 124.1° | 120.1° |
C2' | C3' | H3' | 119.1° | 120.0° |
CM' | N2' | HN2' | 107.8° | 120.0° |
N2' | CM' | HM'1 | 121.7° | 109.5° |
N2' | CM' | HM'2 | 107.9° | 109.5° |
N2' | CM' | HM'3 | 107.8° | 109.5° |
HM'1 | CM' | HM'2 | 107.8° | 109.5° |
HM'1 | CM' | HM'3 | 107.9° | 109.4° |
HM'2 | CM' | HM'3 | 102.1° | 109.5° |
C4' | C3' | H3' | 116.8° | 119.9° |
C3' | C4' | C5' | 118.4° | 120.4° |
C3' | C4' | H4' | 119.9° | 119.8° |
C5' | C4' | H4' | 121.7° | 119.8° |
C4' | C5' | C6' | 119.9° | 120.3° |
C4' | C5' | H5' | 120.6° | 119.8° |
C6' | C5' | H5' | 119.5° | 119.8° |
C5' | C6' | H6' | 118.8° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1B | PB | O2B | O3B | 122.7° | 120.0° |
O1B | PB | O2B | O3A | 128.5° | 120.0° |
O1B | PB | O3B | O3A | 119.4° | 120.0° |
O1B | PB | O2B | HOB2 | 180.0° | 59.9° |
O1B | PB | O3B | HOB3 | 180.0° | 180.0° |
O1B | PB | O3A | PA | 118.9° | 60.0° |
O2B | PB | O3B | O3A | 112.6° | 120.0° |
O2B | PB | O3B | HOB3 | 52.0° | 60.0° |
O2B | PB | O3A | PA | 11.9° | 180.0° |
O3B | PB | O2B | HOB2 | 57.3° | 60.0° |
O3B | PB | O3A | PA | 125.1° | 60.0° |
O3A | PB | O2B | HOB2 | 51.5° | 180.0° |
O3A | PB | O3B | HOB3 | 60.6° | 60.0° |
PB | O3A | PA | O1A | 54.9° | 60.0° |
PB | O3A | PA | O2A | 76.2° | 60.0° |
PB | O3A | PA | O5' | 164.9° | 180.0° |
O1A | PA | O2A | O3A | 127.9° | 120.0° |
O1A | PA | O2A | O5' | 121.2° | 120.0° |
O1A | PA | O3A | O5' | 110.0° | 120.0° |
O1A | PA | O2A | HOA2 | 180.0° | 180.0° |
O1A | PA | O5' | C5B | 177.9° | 60.0° |
O2A | PA | O3A | O5' | 118.9° | 120.0° |
O2A | PA | O5' | C5B | 48.9° | 60.0° |
O3A | PA | O2A | HOA2 | 52.1° | 60.0° |
O3A | PA | O5' | C5B | 65.6° | 180.0° |
O5' | PA | O2A | HOA2 | 58.8° | 60.0° |
PA | O5' | C5B | C4B | 136.2° | 180.0° |
PA | O5' | C5B | H5'1 | 10.9° | 59.9° |
PA | O5' | C5B | H5'2 | 98.5° | 59.9° |
O5' | C5B | C4B | H5'1 | 125.2° | 120.1° |
O5' | C5B | C4B | H5'2 | 125.2° | 120.1° |
O5' | C5B | H5'1 | H5'2 | 118.0° | 119.9° |
O5' | C5B | C4B | O4' | 65.2° | 61.4° |
O5' | C5B | C4B | C3B | 50.4° | 176.9° |
O5' | C5B | C4B | H4B | 168.4° | 60.7° |
C4B | C5B | H5'1 | H5'2 | 118.1° | 119.9° |
C5B | C4B | O4' | C3B | 126.2° | 119.2° |
C5B | C4B | O4' | H4B | 115.9° | 122.1° |
C5B | C4B | C3B | H4B | 116.0° | 122.3° |
C5B | C4B | O4' | C1B | 132.2° | 159.5° |
C5B | C4B | C3B | O3' | 101.9° | 98.5° |
C5B | C4B | C3B | C2B | 113.7° | 142.7° |
C5B | C4B | C3B | H3B | 0.0° | 24.1° |
H5'1 | C5B | C4B | O4' | 169.5° | 178.5° |
H5'1 | C5B | C4B | C3B | 74.8° | 63.0° |
H5'1 | C5B | C4B | H4B | 43.1° | 59.3° |
H5'2 | C5B | C4B | O4' | 60.0° | 58.7° |
H5'2 | C5B | C4B | C3B | 175.7° | 56.8° |
H5'2 | C5B | C4B | H4B | 66.4° | 179.2° |
O4' | C4B | C3B | H4B | 126.4° | 118.7° |
O4' | C4B | C3B | O3' | 140.5° | 142.5° |
O4' | C4B | C3B | C2B | 3.9° | 23.8° |
O4' | C4B | C3B | H3B | 117.5° | 94.9° |
C4B | O4' | C1B | C2B | 12.5° | 40.4° |
C4B | O4' | C1B | N9 | 129.3° | 159.3° |
C4B | O4' | C1B | H1' | 108.9° | 78.4° |
C3B | C4B | O4' | C1B | 6.0° | 40.3° |
C4B | C3B | O3' | C2B | 141.5° | 114.9° |
C4B | C3B | O3' | H3B | 109.2° | 122.7° |
C4B | C3B | C2B | H3B | 113.7° | 118.7° |
C4B | C3B | O3' | C' | 147.8° | 151.9° |
C4B | C3B | C2B | C1B | 11.5° | 0.1° |
C4B | C3B | C2B | H2'1 | 113.8° | 118.6° |
C4B | C3B | C2B | H2'2 | 136.8° | 118.7° |
H4B | C4B | O4' | C1B | 111.9° | 78.4° |
H4B | C4B | C3B | O3' | 14.1° | 23.8° |
H4B | C4B | C3B | C2B | 130.2° | 94.9° |
H4B | C4B | C3B | H3B | 116.1° | 146.4° |
O4' | C1B | C2B | C3B | 14.6° | 24.0° |
O4' | C1B | C2B | N9 | 111.0° | 118.9° |
O4' | C1B | C2B | H1' | 126.2° | 118.9° |
O4' | C1B | C2B | H2'1 | 110.6° | 94.6° |
O4' | C1B | C2B | H2'2 | 139.9° | 142.6° |
O4' | C1B | N9 | H1' | 126.1° | 122.3° |
O4' | C1B | N9 | C8 | 32.5° | 25.4° |
O4' | C1B | N9 | C4 | 145.7° | 154.9° |
O3' | C3B | C2B | H3B | 101.9° | 122.5° |
O3' | C3B | C2B | C1B | 132.9° | 118.7° |
O3' | C3B | C2B | H2'1 | 101.9° | 122.6° |
O3' | C3B | C2B | H2'2 | 7.6° | 0.1° |
C3B | O3' | C' | O1' | 14.4° | 0.0° |
C3B | O3' | C' | C1' | 156.2° | 179.9° |
C2B | C3B | O3' | C' | 70.7° | 93.3° |
C3B | C2B | C1B | H2'1 | 125.3° | 118.6° |
C3B | C2B | C1B | H2'2 | 125.3° | 118.6° |
C3B | C2B | H2'1 | H2'2 | 118.8° | 122.7° |
C3B | C2B | C1B | N9 | 125.7° | 142.9° |
C3B | C2B | C1B | H1' | 111.6° | 94.9° |
H3B | C3B | O3' | C' | 38.6° | 29.2° |
H3B | C3B | C2B | C1B | 125.2° | 118.8° |
H3B | C3B | C2B | H2'1 | 0.1° | 0.2° |
H3B | C3B | C2B | H2'2 | 109.6° | 122.6° |
O3' | C' | O1' | C1' | 142.6° | 180.0° |
O3' | C' | C1' | C2' | 176.6° | 174.8° |
O3' | C' | C1' | C6' | 34.1° | 5.8° |
C1B | C2B | H2'1 | H2'2 | 118.7° | 122.7° |
C2B | C1B | N9 | H1' | 122.3° | 122.2° |
C2B | C1B | N9 | C8 | 79.2° | 90.0° |
C2B | C1B | N9 | C4 | 102.6° | 89.7° |
H2'1 | C2B | C1B | N9 | 0.4° | 24.3° |
H2'1 | C2B | C1B | H1' | 123.2° | 146.5° |
H2'2 | C2B | C1B | N9 | 109.0° | 98.4° |
H2'2 | C2B | C1B | H1' | 13.7° | 23.7° |
C1B | N9 | C8 | C4 | 178.4° | 179.7° |
C1B | N9 | C8 | N7 | 179.1° | 180.0° |
C1B | N9 | C8 | H8 | 0.9° | 0.0° |
C1B | N9 | C4 | C5 | 178.7° | 179.9° |
C1B | N9 | C4 | N3 | 1.0° | 0.9° |
H1' | C1B | N9 | C8 | 158.5° | 147.8° |
H1' | C1B | N9 | C4 | 19.6° | 32.5° |
N9 | C8 | N7 | H8 | 180.0° | 180.0° |
N9 | C8 | N7 | C5 | 1.1° | 0.0° |
C8 | N9 | C4 | C5 | 2.7° | 0.4° |
C8 | N9 | C4 | N3 | 179.6° | 179.4° |
C4 | N9 | C8 | N7 | 2.5° | 0.3° |
C4 | N9 | C8 | H8 | 177.5° | 179.7° |
N9 | C4 | C5 | N7 | 2.2° | 0.4° |
N9 | C4 | C5 | C6 | 158.8° | 179.8° |
N9 | C4 | C5 | N3 | 177.4° | 179.2° |
N9 | C4 | N3 | C2 | 175.5° | 179.5° |
C8 | N7 | C5 | C6 | 156.9° | 180.0° |
C8 | N7 | C5 | C4 | 0.7° | 0.3° |
H8 | C8 | N7 | C5 | 178.9° | 180.0° |
N7 | C5 | C6 | C4 | 156.7° | 179.7° |
N7 | C5 | C6 | N6 | 42.9° | 0.0° |
N7 | C5 | C6 | N1 | 179.7° | 180.0° |
N7 | C5 | C4 | N3 | 179.7° | 179.6° |
C5 | C6 | N6 | N1 | 140.3° | 180.0° |
C5 | C6 | N6 | HN61 | 180.0° | 180.0° |
C5 | C6 | N6 | HN62 | 54.7° | 0.0° |
C5 | C6 | N1 | C2 | 13.4° | 0.0° |
C6 | C5 | C4 | N3 | 18.7° | 0.6° |
C4 | C5 | C6 | N6 | 160.4° | 179.7° |
C4 | C5 | C6 | N1 | 22.9° | 0.3° |
C5 | C4 | N3 | C2 | 1.7° | 0.7° |
C6 | N6 | HN61 | HN62 | 125.3° | 180.0° |
N6 | C6 | N1 | C2 | 159.7° | 180.0° |
N1 | C6 | N6 | HN61 | 39.7° | 0.0° |
N1 | C6 | N6 | HN62 | 165.0° | 180.0° |
C6 | N1 | C2 | N3 | 5.2° | 0.0° |
C6 | N1 | C2 | H2 | 174.8° | 180.0° |
N1 | C2 | N3 | H2 | 180.0° | 180.0° |
N1 | C2 | N3 | C4 | 11.1° | 0.3° |
H2 | C2 | N3 | C4 | 168.9° | 179.7° |
O1' | C' | C1' | C2' | 35.9° | 5.2° |
O1' | C' | C1' | C6' | 174.8° | 174.2° |
C' | C1' | C2' | C6' | 152.0° | 179.4° |
C' | C1' | C2' | N2' | 49.6° | 0.3° |
C' | C1' | C2' | C3' | 146.2° | 180.0° |
C' | C1' | C6' | C5' | 137.5° | 180.0° |
C' | C1' | C6' | H6' | 42.4° | 0.2° |
C1' | C2' | N2' | C3' | 164.5° | 179.7° |
C1' | C2' | N2' | CM' | 173.0° | 174.0° |
C1' | C2' | N2' | HN2' | 61.7° | 6.0° |
C1' | C2' | C3' | C4' | 1.0° | 0.3° |
C1' | C2' | C3' | H3' | 179.0° | 179.7° |
C2' | C1' | C6' | C5' | 7.9° | 0.6° |
C2' | C1' | C6' | H6' | 172.1° | 179.6° |
C6' | C1' | C2' | N2' | 158.4° | 179.7° |
C6' | C1' | C2' | C3' | 5.8° | 0.6° |
C1' | C6' | C5' | C4' | 3.0° | 0.3° |
C1' | C6' | C5' | H6' | 180.0° | 179.8° |
C1' | C6' | C5' | H5' | 177.0° | 179.8° |
C2' | N2' | CM' | HN2' | 125.3° | 180.0° |
C2' | N2' | CM' | HM'1 | 180.0° | 180.0° |
C2' | N2' | CM' | HM'2 | 54.8° | 60.0° |
C2' | N2' | CM' | HM'3 | 54.8° | 60.1° |
N2' | C2' | C3' | C4' | 167.4° | 180.0° |
N2' | C2' | C3' | H3' | 12.6° | 0.0° |
C3' | C2' | N2' | CM' | 8.5° | 5.7° |
C3' | C2' | N2' | HN2' | 133.8° | 174.3° |
C2' | C3' | C4' | H3' | 180.0° | 180.0° |
C2' | C3' | C4' | C5' | 5.9° | 0.0° |
C2' | C3' | C4' | H4' | 174.1° | 179.9° |
N2' | CM' | HM'1 | HM'2 | 125.2° | 120.1° |
N2' | CM' | HM'1 | HM'3 | 125.3° | 120.0° |
N2' | CM' | HM'2 | HM'3 | 113.4° | 120.0° |
HN2' | N2' | CM' | HM'1 | 54.7° | 0.1° |
HN2' | N2' | CM' | HM'2 | 70.5° | 120.0° |
HN2' | N2' | CM' | HM'3 | 180.0° | 120.0° |
HM'1 | CM' | HM'2 | HM'3 | 113.5° | 119.9° |
C3' | C4' | C5' | H4' | 180.0° | 180.0° |
C3' | C4' | C5' | C6' | 3.7° | 0.0° |
C3' | C4' | C5' | H5' | 176.3° | 180.0° |
H3' | C3' | C4' | C5' | 174.1° | 180.0° |
H3' | C3' | C4' | H4' | 5.9° | 0.0° |
C4' | C5' | C6' | H5' | 180.0° | 180.0° |
C4' | C5' | C6' | H6' | 177.0° | 179.9° |
H4' | C4' | C5' | C6' | 176.2° | 180.0° |
H4' | C4' | C5' | H5' | 3.8° | 0.0° |
H5' | C5' | C6' | H6' | 3.0° | 0.0° |