NBS
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
PB | O4P | sing | 1.61Å | 1.50Å | |
PB | O5P | sing | 1.61Å | 1.51Å | |
PB | O6P | doub | 1.48Å | 1.51Å | |
PB | O3P | sing | 1.61Å | 1.66Å | |
O4P | HOP4 | sing | 0.97Å | 0.95Å | |
O5P | HOP5 | sing | 0.97Å | 0.95Å | |
PA | O1P | sing | 1.61Å | 1.48Å | |
PA | O2P | doub | 1.48Å | 1.49Å | |
PA | O3P | sing | 1.61Å | 1.65Å | |
PA | O5' | sing | 1.61Å | 1.61Å | |
O1P | HOP1 | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.43Å | |
C5' | C4' | sing | 1.53Å | 1.54Å | |
C5' | H5'1 | sing | 1.09Å | 1.12Å | |
C5' | H5'2 | sing | 1.09Å | 1.11Å | |
C4' | O4' | sing | 1.45Å | 1.46Å | |
C4' | C3' | sing | 1.54Å | 1.51Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
O4' | C1' | sing | 1.44Å | 1.45Å | |
C1' | N9 | sing | 1.46Å | 1.48Å | |
C1' | C2' | sing | 1.54Å | 1.52Å | |
C1' | H1' | sing | 1.09Å | 1.11Å | |
N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
C4 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
C4 | C5 | sing | 1.41Å | 1.37Å | Aromatic |
N3 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
C2 | N1 | doub | 1.32Å | 1.33Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.10Å | |
N1 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.40Å | |
C6 | C5 | doub | 1.41Å | 1.41Å | Aromatic |
N6 | CB1 | sing | 1.47Å | 1.45Å | |
N6 | H6 | sing | 0.97Å | 1.02Å | |
CB1 | CB2 | sing | 1.51Å | 1.56Å | |
CB1 | HB11 | sing | 1.09Å | 1.12Å | |
CB1 | HB12 | sing | 1.09Å | 1.11Å | |
CB2 | CB3 | doub | 1.38Å | 1.39Å | Aromatic |
CB2 | CB7 | sing | 1.38Å | 1.38Å | Aromatic |
CB3 | CB4 | sing | 1.38Å | 1.42Å | Aromatic |
CB3 | HB3 | sing | 1.08Å | 1.10Å | |
CB4 | CB5 | doub | 1.38Å | 1.40Å | Aromatic |
CB4 | HB4 | sing | 1.08Å | 1.10Å | |
CB5 | CB6 | sing | 1.38Å | 1.40Å | Aromatic |
CB5 | HB5 | sing | 1.08Å | 1.10Å | |
CB6 | CB7 | doub | 1.38Å | 1.42Å | Aromatic |
CB6 | HB6 | sing | 1.08Å | 1.10Å | |
CB7 | HB7 | sing | 1.08Å | 1.10Å | |
C5 | N7 | sing | 1.35Å | 1.39Å | Aromatic |
N7 | C8 | doub | 1.30Å | 1.30Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
C2' | O2' | sing | 1.43Å | 1.43Å | |
C2' | C3' | sing | 1.55Å | 1.51Å | |
C2' | H2' | sing | 1.09Å | 1.12Å | |
O2' | HO'2 | sing | 0.97Å | 0.95Å | |
C3' | O3' | sing | 1.43Å | 1.41Å | |
C3' | H3' | sing | 1.09Å | 1.12Å | |
O3' | HO'3 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O4P | PB | O5P | 115.4° | 109.5° |
O4P | PB | O6P | 114.5° | 109.4° |
O4P | PB | O3P | 93.6° | 109.5° |
PB | O4P | HOP4 | 115.3° | 106.8° |
O5P | PB | O6P | 116.0° | 109.5° |
O5P | PB | O3P | 108.0° | 109.5° |
PB | O5P | HOP5 | 115.3° | 106.8° |
O6P | PB | O3P | 106.2° | 109.4° |
PB | O3P | PA | 124.5° | 106.8° |
O1P | PA | O2P | 118.7° | 109.5° |
O1P | PA | O3P | 103.9° | 109.4° |
O1P | PA | O5' | 103.4° | 109.4° |
PA | O1P | HOP1 | 118.6° | 106.8° |
O2P | PA | O3P | 117.2° | 109.5° |
O2P | PA | O5' | 108.9° | 109.5° |
O3P | PA | O5' | 102.8° | 109.5° |
PA | O5' | C5' | 123.4° | 106.8° |
O5' | C5' | C4' | 114.4° | 109.5° |
O5' | C5' | H5'1 | 110.4° | 109.5° |
O5' | C5' | H5'2 | 110.4° | 109.5° |
C4' | C5' | H5'1 | 110.4° | 109.4° |
C4' | C5' | H5'2 | 110.4° | 109.4° |
C5' | C4' | O4' | 112.9° | 110.3° |
C5' | C4' | C3' | 109.1° | 110.7° |
C5' | C4' | H4' | 106.3° | 110.3° |
H5'1 | C5' | H5'2 | 99.8° | 109.5° |
O4' | C4' | C3' | 105.9° | 104.7° |
O4' | C4' | H4' | 109.5° | 110.4° |
C4' | O4' | C1' | 108.3° | 105.4° |
C3' | C4' | H4' | 113.3° | 110.3° |
C4' | C3' | C2' | 104.9° | 104.2° |
C4' | C3' | O3' | 108.1° | 110.5° |
C4' | C3' | H3' | 114.0° | 110.5° |
O4' | C1' | N9 | 109.1° | 110.5° |
O4' | C1' | C2' | 107.3° | 104.8° |
O4' | C1' | H1' | 111.6° | 110.4° |
N9 | C1' | C2' | 110.9° | 110.4° |
N9 | C1' | H1' | 108.0° | 110.3° |
C1' | N9 | C4 | 126.5° | 126.3° |
C1' | N9 | C8 | 128.6° | 126.3° |
C2' | C1' | H1' | 109.8° | 110.3° |
C1' | C2' | O2' | 110.7° | 110.7° |
C1' | C2' | C3' | 105.9° | 104.0° |
C1' | C2' | H2' | 111.6° | 110.6° |
C4 | N9 | C8 | 104.8° | 107.4° |
N9 | C4 | N3 | 126.7° | 134.8° |
N9 | C4 | C5 | 106.6° | 106.0° |
N9 | C8 | N7 | 114.3° | 110.0° |
N9 | C8 | H8 | 125.2° | 125.0° |
N3 | C4 | C5 | 126.7° | 119.1° |
C4 | N3 | C2 | 110.9° | 120.6° |
C4 | C5 | C6 | 117.2° | 118.2° |
C4 | C5 | N7 | 110.2° | 107.1° |
N3 | C2 | N1 | 128.6° | 122.5° |
N3 | C2 | H2 | 115.8° | 118.7° |
N1 | C2 | H2 | 115.6° | 118.8° |
C2 | N1 | C6 | 119.4° | 121.2° |
N1 | C6 | N6 | 118.4° | 120.8° |
N1 | C6 | C5 | 117.1° | 118.5° |
N6 | C6 | C5 | 124.4° | 120.7° |
C6 | N6 | CB1 | 124.4° | 120.0° |
C6 | N6 | H6 | 106.9° | 120.0° |
C6 | C5 | N7 | 132.7° | 134.7° |
CB1 | N6 | H6 | 106.9° | 120.0° |
N6 | CB1 | CB2 | 114.0° | 109.5° |
N6 | CB1 | HB11 | 110.5° | 109.5° |
N6 | CB1 | HB12 | 110.6° | 109.5° |
CB2 | CB1 | HB11 | 110.5° | 109.4° |
CB2 | CB1 | HB12 | 110.6° | 109.5° |
CB1 | CB2 | CB3 | 119.7° | 120.0° |
CB1 | CB2 | CB7 | 120.7° | 120.0° |
HB11 | CB1 | HB12 | 99.7° | 109.5° |
CB3 | CB2 | CB7 | 119.6° | 120.0° |
CB2 | CB3 | CB4 | 120.9° | 120.0° |
CB2 | CB3 | HB3 | 118.5° | 120.0° |
CB2 | CB7 | CB6 | 120.6° | 120.0° |
CB2 | CB7 | HB7 | 118.3° | 120.0° |
CB4 | CB3 | HB3 | 120.6° | 120.0° |
CB3 | CB4 | CB5 | 119.3° | 120.0° |
CB3 | CB4 | HB4 | 120.8° | 120.0° |
CB5 | CB4 | HB4 | 119.9° | 120.0° |
CB4 | CB5 | CB6 | 119.7° | 119.9° |
CB4 | CB5 | HB5 | 120.4° | 120.1° |
CB6 | CB5 | HB5 | 119.8° | 120.0° |
CB5 | CB6 | CB7 | 119.9° | 120.1° |
CB5 | CB6 | HB6 | 119.3° | 120.0° |
CB7 | CB6 | HB6 | 120.8° | 120.0° |
CB6 | CB7 | HB7 | 121.1° | 120.0° |
C5 | N7 | C8 | 104.1° | 109.5° |
N7 | C8 | H8 | 120.5° | 125.0° |
O2' | C2' | C3' | 111.0° | 110.5° |
O2' | C2' | H2' | 106.6° | 110.5° |
C2' | O2' | HO'2 | 110.6° | 106.8° |
C3' | C2' | H2' | 111.2° | 110.5° |
C2' | C3' | O3' | 111.6° | 110.5° |
C2' | C3' | H3' | 110.7° | 110.5° |
O3' | C3' | H3' | 107.6° | 110.5° |
C3' | O3' | HO'3 | 108.1° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O4P | PB | O5P | O6P | 137.9° | 120.0° |
O4P | PB | O5P | O3P | 103.2° | 120.0° |
O4P | PB | O6P | O3P | 101.8° | 120.0° |
O4P | PB | O5P | HOP5 | 180.0° | 60.1° |
O4P | PB | O3P | PA | 127.5° | 180.0° |
O5P | PB | O6P | O3P | 119.9° | 120.0° |
O5P | PB | O4P | HOP4 | 180.0° | 60.0° |
O5P | PB | O3P | PA | 9.3° | 60.0° |
O6P | PB | O4P | HOP4 | 41.5° | 60.0° |
O6P | PB | O5P | HOP5 | 42.1° | 180.0° |
O6P | PB | O3P | PA | 115.7° | 60.1° |
O3P | PB | O4P | HOP4 | 68.1° | 180.0° |
O3P | PB | O5P | HOP5 | 76.8° | 60.0° |
PB | O3P | PA | O1P | 160.6° | 60.0° |
PB | O3P | PA | O2P | 27.6° | 59.9° |
PB | O3P | PA | O5' | 91.8° | 180.0° |
O1P | PA | O2P | O3P | 126.1° | 120.0° |
O1P | PA | O2P | O5' | 117.8° | 120.0° |
O1P | PA | O3P | O5' | 107.5° | 119.9° |
O1P | PA | O5' | C5' | 79.7° | 60.0° |
O2P | PA | O3P | O5' | 119.4° | 120.1° |
O2P | PA | O1P | HOP1 | 180.0° | 180.0° |
O2P | PA | O5' | C5' | 153.2° | 60.0° |
O3P | PA | O1P | HOP1 | 47.8° | 60.0° |
O3P | PA | O5' | C5' | 28.2° | 180.0° |
O5' | PA | O1P | HOP1 | 59.3° | 60.0° |
PA | O5' | C5' | C4' | 46.6° | 180.0° |
PA | O5' | C5' | H5'1 | 171.8° | 60.0° |
PA | O5' | C5' | H5'2 | 78.7° | 60.1° |
O5' | C5' | C4' | H5'1 | 125.3° | 120.0° |
O5' | C5' | C4' | H5'2 | 125.3° | 120.0° |
O5' | C5' | H5'1 | H5'2 | 116.3° | 120.0° |
O5' | C5' | C4' | O4' | 57.0° | 61.4° |
O5' | C5' | C4' | C3' | 174.4° | 176.9° |
O5' | C5' | C4' | H4' | 63.1° | 60.8° |
C4' | C5' | H5'1 | H5'2 | 116.2° | 119.9° |
C5' | C4' | O4' | C3' | 119.3° | 119.2° |
C5' | C4' | O4' | H4' | 118.2° | 122.2° |
C5' | C4' | C3' | H4' | 118.2° | 122.3° |
C5' | C4' | O4' | C1' | 93.1° | 159.5° |
C5' | C4' | C3' | C2' | 94.1° | 142.7° |
C5' | C4' | C3' | O3' | 146.8° | 98.6° |
C5' | C4' | C3' | H3' | 27.1° | 24.1° |
H5'1 | C5' | C4' | O4' | 68.3° | 178.5° |
H5'1 | C5' | C4' | C3' | 49.1° | 63.1° |
H5'1 | C5' | C4' | H4' | 171.6° | 59.2° |
H5'2 | C5' | C4' | O4' | 177.7° | 58.6° |
H5'2 | C5' | C4' | C3' | 60.3° | 56.9° |
H5'2 | C5' | C4' | H4' | 62.2° | 179.2° |
O4' | C4' | C3' | H4' | 120.0° | 118.8° |
C4' | O4' | C1' | N9 | 106.2° | 159.3° |
C4' | O4' | C1' | C2' | 14.1° | 40.4° |
C4' | O4' | C1' | H1' | 134.5° | 78.4° |
O4' | C4' | C3' | C2' | 27.7° | 23.8° |
O4' | C4' | C3' | O3' | 91.4° | 142.5° |
O4' | C4' | C3' | H3' | 148.9° | 94.9° |
C3' | C4' | O4' | C1' | 26.2° | 40.4° |
C4' | C3' | C2' | C1' | 18.9° | 0.1° |
C4' | C3' | C2' | O2' | 139.1° | 118.9° |
C4' | C3' | C2' | O3' | 116.8° | 118.7° |
C4' | C3' | C2' | H3' | 123.4° | 118.7° |
C4' | C3' | C2' | H2' | 102.4° | 118.6° |
C4' | C3' | O3' | H3' | 123.5° | 122.6° |
C4' | C3' | O3' | HO'3 | 179.9° | 178.1° |
H4' | C4' | O4' | C1' | 148.7° | 78.3° |
H4' | C4' | C3' | C2' | 147.7° | 94.9° |
H4' | C4' | C3' | O3' | 28.6° | 23.8° |
H4' | C4' | C3' | H3' | 91.1° | 146.4° |
O4' | C1' | N9 | C2' | 118.1° | 115.5° |
O4' | C1' | N9 | H1' | 121.5° | 122.3° |
O4' | C1' | C2' | H1' | 121.5° | 118.8° |
O4' | C1' | N9 | C4 | 163.0° | 154.9° |
O4' | C1' | N9 | C8 | 13.8° | 25.4° |
O4' | C1' | C2' | O2' | 123.9° | 142.7° |
O4' | C1' | C2' | C3' | 3.5° | 24.0° |
O4' | C1' | C2' | H2' | 117.6° | 94.6° |
N9 | C1' | C2' | H1' | 119.4° | 122.2° |
C1' | N9 | C4 | C8 | 177.4° | 179.8° |
C1' | N9 | C4 | N3 | 2.6° | 0.8° |
C1' | N9 | C4 | C5 | 176.5° | 179.9° |
C1' | N9 | C8 | N7 | 176.5° | 180.0° |
C1' | N9 | C8 | H8 | 3.5° | 0.1° |
N9 | C1' | C2' | O2' | 117.0° | 98.4° |
N9 | C1' | C2' | C3' | 122.7° | 143.0° |
N9 | C1' | C2' | H2' | 1.5° | 24.4° |
C2' | C1' | N9 | C4 | 78.9° | 89.7° |
C2' | C1' | N9 | C8 | 104.3° | 90.1° |
C1' | C2' | O2' | C3' | 117.3° | 114.7° |
C1' | C2' | O2' | H2' | 121.5° | 122.8° |
C1' | C2' | C3' | H2' | 121.4° | 118.7° |
C1' | C2' | O2' | HO'2 | 180.0° | 176.1° |
C1' | C2' | C3' | O3' | 97.8° | 118.7° |
C1' | C2' | C3' | H3' | 142.3° | 118.7° |
H1' | C1' | N9 | C4 | 41.6° | 32.6° |
H1' | C1' | N9 | C8 | 135.3° | 147.7° |
H1' | C1' | C2' | O2' | 2.4° | 23.8° |
H1' | C1' | C2' | C3' | 118.0° | 94.8° |
H1' | C1' | C2' | H2' | 120.9° | 146.6° |
N9 | C4 | N3 | C5 | 178.9° | 179.0° |
N9 | C4 | N3 | C2 | 179.4° | 179.5° |
N9 | C4 | C5 | C6 | 180.0° | 179.8° |
N9 | C4 | C5 | N7 | 0.8° | 0.4° |
C4 | N9 | C8 | N7 | 0.8° | 0.2° |
C4 | N9 | C8 | H8 | 179.1° | 179.7° |
C8 | N9 | C4 | N3 | 179.9° | 179.5° |
C8 | N9 | C4 | C5 | 1.0° | 0.3° |
N9 | C8 | N7 | C5 | 0.4° | 0.0° |
N9 | C8 | N7 | H8 | 180.0° | 179.9° |
C4 | N3 | C2 | N1 | 0.1° | 0.2° |
C4 | N3 | C2 | H2 | 179.9° | 179.7° |
N3 | C4 | C5 | C6 | 0.9° | 0.5° |
N3 | C4 | C5 | N7 | 179.9° | 179.6° |
C5 | C4 | N3 | C2 | 0.4° | 0.5° |
C4 | C5 | C6 | N1 | 0.8° | 0.3° |
C4 | C5 | C6 | N6 | 178.0° | 179.7° |
C4 | C5 | C6 | N7 | 178.9° | 179.8° |
C4 | C5 | N7 | C8 | 0.3° | 0.2° |
N3 | C2 | N1 | H2 | 180.0° | 179.9° |
N3 | C2 | N1 | C6 | 0.2° | 0.0° |
C2 | N1 | C6 | N6 | 177.7° | 180.0° |
C2 | N1 | C6 | C5 | 0.3° | 0.0° |
H2 | C2 | N1 | C6 | 179.9° | 180.0° |
N1 | C6 | N6 | C5 | 177.2° | 180.0° |
N1 | C6 | N6 | CB1 | 162.9° | 0.0° |
N1 | C6 | N6 | H6 | 71.9° | 179.9° |
N1 | C6 | C5 | N7 | 179.7° | 179.9° |
C6 | N6 | CB1 | H6 | 125.3° | 179.9° |
C6 | N6 | CB1 | CB2 | 98.7° | 180.0° |
C6 | N6 | CB1 | HB11 | 26.6° | 60.0° |
C6 | N6 | CB1 | HB12 | 136.0° | 60.0° |
N6 | C6 | C5 | N7 | 3.1° | 0.0° |
C5 | C6 | N6 | CB1 | 19.9° | 180.0° |
C5 | C6 | N6 | H6 | 105.3° | 0.0° |
C6 | C5 | N7 | C8 | 179.3° | 180.0° |
N6 | CB1 | CB2 | HB11 | 125.2° | 120.0° |
N6 | CB1 | CB2 | HB12 | 125.3° | 120.0° |
N6 | CB1 | HB11 | HB12 | 116.4° | 120.1° |
N6 | CB1 | CB2 | CB3 | 146.2° | 90.0° |
N6 | CB1 | CB2 | CB7 | 35.6° | 90.3° |
H6 | N6 | CB1 | CB2 | 26.6° | 0.1° |
H6 | N6 | CB1 | HB11 | 151.8° | 120.0° |
H6 | N6 | CB1 | HB12 | 98.7° | 119.9° |
CB2 | CB1 | HB11 | HB12 | 116.4° | 120.0° |
CB1 | CB2 | CB3 | CB7 | 178.2° | 179.7° |
CB1 | CB2 | CB3 | CB4 | 177.7° | 180.0° |
CB1 | CB2 | CB3 | HB3 | 2.3° | 0.0° |
CB1 | CB2 | CB7 | CB6 | 177.4° | 179.8° |
CB1 | CB2 | CB7 | HB7 | 2.6° | 0.3° |
HB11 | CB1 | CB2 | CB3 | 88.5° | 30.0° |
HB11 | CB1 | CB2 | CB7 | 89.7° | 149.7° |
HB12 | CB1 | CB2 | CB3 | 20.9° | 150.0° |
HB12 | CB1 | CB2 | CB7 | 160.9° | 29.7° |
CB2 | CB3 | CB4 | HB3 | 180.0° | 180.0° |
CB2 | CB3 | CB4 | CB5 | 0.1° | 0.0° |
CB2 | CB3 | CB4 | HB4 | 179.9° | 179.9° |
CB3 | CB2 | CB7 | CB6 | 0.8° | 0.5° |
CB3 | CB2 | CB7 | HB7 | 179.2° | 180.0° |
CB7 | CB2 | CB3 | CB4 | 0.6° | 0.3° |
CB7 | CB2 | CB3 | HB3 | 179.5° | 179.7° |
CB2 | CB7 | CB6 | CB5 | 0.6° | 0.4° |
CB2 | CB7 | CB6 | HB7 | 180.0° | 179.5° |
CB2 | CB7 | CB6 | HB6 | 179.5° | 179.7° |
CB3 | CB4 | CB5 | HB4 | 180.0° | 179.9° |
CB3 | CB4 | CB5 | CB6 | 0.2° | 0.1° |
CB3 | CB4 | CB5 | HB5 | 179.8° | 179.9° |
HB3 | CB3 | CB4 | CB5 | 179.9° | 180.0° |
HB3 | CB3 | CB4 | HB4 | 0.1° | 0.1° |
CB4 | CB5 | CB6 | HB5 | 180.0° | 180.0° |
CB4 | CB5 | CB6 | CB7 | 0.1° | 0.2° |
CB4 | CB5 | CB6 | HB6 | 179.9° | 180.0° |
HB4 | CB4 | CB5 | CB6 | 179.8° | 180.0° |
HB4 | CB4 | CB5 | HB5 | 0.2° | 0.0° |
CB5 | CB6 | CB7 | HB6 | 180.0° | 179.9° |
CB5 | CB6 | CB7 | HB7 | 179.5° | 180.0° |
HB5 | CB5 | CB6 | CB7 | 180.0° | 179.8° |
HB5 | CB5 | CB6 | HB6 | 0.0° | 0.0° |
HB6 | CB6 | CB7 | HB7 | 0.5° | 0.2° |
C5 | N7 | C8 | H8 | 179.6° | 179.9° |
O2' | C2' | C3' | H2' | 118.4° | 122.5° |
O2' | C2' | C3' | O3' | 22.4° | 0.2° |
O2' | C2' | C3' | H3' | 97.5° | 122.4° |
C3' | C2' | O2' | HO'2 | 62.7° | 61.4° |
C2' | C3' | O3' | H3' | 121.7° | 122.6° |
C2' | C3' | O3' | HO'3 | 65.3° | 63.4° |
H2' | C2' | O2' | HO'2 | 58.5° | 61.1° |
H2' | C2' | C3' | O3' | 140.8° | 122.7° |
H2' | C2' | C3' | H3' | 20.9° | 0.1° |
H3' | C3' | O3' | HO'3 | 56.4° | 59.3° |