GNH
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N3B | PB | sing | 1.68Å | 1.66Å | |
N3B | HN31 | sing | 1.01Å | 1.05Å | |
N3B | HN32 | sing | 1.01Å | 1.03Å | |
PB | O1B | doub | 1.48Å | 1.50Å | |
PB | O2B | sing | 1.61Å | 1.47Å | |
PB | O3A | sing | 1.61Å | 1.61Å | |
O2B | HOB2 | sing | 0.97Å | 0.95Å | |
O3A | PA | sing | 1.61Å | 1.61Å | |
PA | O1A | doub | 1.48Å | 1.49Å | |
PA | O2A | sing | 1.61Å | 1.49Å | |
PA | O5' | sing | 1.61Å | 1.62Å | |
O2A | HOA2 | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.39Å | |
C5' | C4' | sing | 1.53Å | 1.47Å | |
C5' | H5'2 | sing | 1.09Å | 1.09Å | |
C5' | H5'1 | sing | 1.09Å | 1.08Å | |
C4' | O4' | sing | 1.44Å | 1.42Å | |
C4' | C3' | sing | 1.54Å | 1.52Å | |
C4' | H4' | sing | 1.09Å | 1.09Å | |
O4' | C1' | sing | 1.44Å | 1.43Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
C3' | C2' | sing | 1.55Å | 1.58Å | |
C3' | H3' | sing | 1.09Å | 1.09Å | |
O3' | HO3' | sing | 0.97Å | 0.96Å | |
C2' | O2' | sing | 1.43Å | 1.45Å | |
C2' | C1' | sing | 1.54Å | 1.53Å | |
C2' | H2' | sing | 1.09Å | 1.09Å | |
O2' | HO2' | sing | 0.97Å | 0.97Å | |
C1' | N9 | sing | 1.46Å | 1.39Å | |
C1' | H1' | sing | 1.09Å | 1.09Å | |
N9 | C8 | sing | 1.37Å | 1.37Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.35Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.09Å | |
N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
C5 | C6 | sing | 1.42Å | 1.45Å | Aromatic |
C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
C6 | O6 | doub | 1.22Å | 1.23Å | |
C6 | N1 | sing | 1.35Å | 1.39Å | Aromatic |
N1 | C2 | sing | 1.36Å | 1.38Å | Aromatic |
N1 | HN1 | sing | 0.97Å | 1.01Å | |
C2 | N2 | sing | 1.37Å | 1.33Å | |
C2 | N3 | doub | 1.31Å | 1.35Å | Aromatic |
N2 | HN21 | sing | 0.97Å | 0.98Å | |
N2 | HN22 | sing | 0.97Å | 0.98Å | |
N3 | C4 | sing | 1.34Å | 1.33Å | Aromatic |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
PB | N3B | HN31 | 115.3° | 106.8° |
PB | N3B | HN32 | 128.9° | 106.7° |
N3B | PB | O1B | 114.6° | 109.5° |
N3B | PB | O2B | 112.3° | 109.5° |
N3B | PB | O3A | 93.9° | 109.4° |
HN31 | N3B | HN32 | 115.5° | 106.7° |
O1B | PB | O2B | 119.7° | 109.5° |
O1B | PB | O3A | 111.2° | 109.5° |
O2B | PB | O3A | 101.0° | 109.5° |
PB | O2B | HOB2 | 112.2° | 106.8° |
PB | O3A | PA | 122.9° | 106.8° |
O3A | PA | O1A | 108.0° | 109.5° |
O3A | PA | O2A | 111.9° | 109.5° |
O3A | PA | O5' | 93.9° | 109.5° |
O1A | PA | O2A | 121.1° | 109.5° |
O1A | PA | O5' | 108.6° | 109.4° |
O2A | PA | O5' | 109.9° | 109.5° |
PA | O2A | HOA2 | 111.9° | 106.8° |
PA | O5' | C5' | 129.5° | 106.9° |
O5' | C5' | C4' | 105.6° | 109.6° |
O5' | C5' | H5'2 | 110.9° | 109.4° |
O5' | C5' | H5'1 | 109.5° | 109.5° |
C4' | C5' | H5'2 | 108.2° | 109.4° |
C4' | C5' | H5'1 | 111.7° | 109.5° |
C5' | C4' | O4' | 105.3° | 110.3° |
C5' | C4' | C3' | 111.1° | 110.5° |
C5' | C4' | H4' | 112.5° | 110.2° |
H5'2 | C5' | H5'1 | 110.9° | 109.5° |
O4' | C4' | C3' | 104.1° | 104.9° |
O4' | C4' | H4' | 110.7° | 110.4° |
C4' | O4' | C1' | 112.6° | 105.2° |
C3' | C4' | H4' | 112.5° | 110.3° |
C4' | C3' | O3' | 112.5° | 110.6° |
C4' | C3' | C2' | 101.7° | 104.1° |
C4' | C3' | H3' | 108.0° | 110.5° |
O4' | C1' | C2' | 105.4° | 104.9° |
O4' | C1' | N9 | 110.9° | 110.4° |
O4' | C1' | H1' | 109.1° | 110.3° |
O3' | C3' | C2' | 119.5° | 110.6° |
O3' | C3' | H3' | 105.4° | 110.4° |
C3' | O3' | HO3' | 113.2° | 106.8° |
C2' | C3' | H3' | 109.4° | 110.5° |
C3' | C2' | O2' | 116.9° | 110.5° |
C3' | C2' | C1' | 104.1° | 104.0° |
C3' | C2' | H2' | 104.6° | 110.5° |
O2' | C2' | C1' | 113.1° | 110.8° |
O2' | C2' | H2' | 109.5° | 110.5° |
C2' | O2' | HO2' | 106.2° | 106.8° |
C1' | C2' | H2' | 107.9° | 110.4° |
C2' | C1' | N9 | 115.4° | 110.4° |
C2' | C1' | H1' | 108.9° | 110.4° |
N9 | C1' | H1' | 107.0° | 110.3° |
C1' | N9 | C8 | 133.0° | 126.3° |
C1' | N9 | C4 | 123.3° | 126.3° |
C8 | N9 | C4 | 102.6° | 107.4° |
N9 | C8 | N7 | 118.0° | 109.8° |
N9 | C8 | H8 | 122.0° | 125.0° |
N9 | C4 | C5 | 108.3° | 106.2° |
N9 | C4 | N3 | 122.5° | 134.1° |
N7 | C8 | H8 | 119.4° | 125.2° |
C8 | N7 | C5 | 101.4° | 109.3° |
N7 | C5 | C6 | 129.6° | 134.1° |
N7 | C5 | C4 | 109.7° | 107.3° |
C6 | C5 | C4 | 120.7° | 118.6° |
C5 | C6 | O6 | 130.0° | 120.8° |
C5 | C6 | N1 | 110.0° | 118.3° |
C5 | C4 | N3 | 129.2° | 119.7° |
O6 | C6 | N1 | 120.0° | 120.8° |
C6 | N1 | C2 | 123.1° | 120.4° |
C6 | N1 | HN1 | 119.8° | 119.8° |
C2 | N1 | HN1 | 117.1° | 119.8° |
N1 | C2 | N2 | 115.4° | 119.1° |
N1 | C2 | N3 | 128.3° | 121.8° |
N2 | C2 | N3 | 116.3° | 119.1° |
C2 | N2 | HN21 | 121.2° | 120.0° |
C2 | N2 | HN22 | 121.6° | 120.0° |
C2 | N3 | C4 | 108.7° | 121.2° |
HN21 | N2 | HN22 | 117.1° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
PB | N3B | HN31 | HN32 | 173.9° | 113.8° |
N3B | PB | O1B | O2B | 137.8° | 120.0° |
N3B | PB | O1B | O3A | 105.0° | 120.0° |
N3B | PB | O2B | O3A | 98.9° | 120.0° |
N3B | PB | O2B | HOB2 | 180.0° | 60.0° |
N3B | PB | O3A | PA | 130.8° | 180.0° |
HN31 | N3B | PB | O1B | 47.5° | 53.7° |
HN31 | N3B | PB | O2B | 93.4° | 173.8° |
HN31 | N3B | PB | O3A | 163.0° | 66.2° |
HN32 | N3B | PB | O1B | 125.4° | 60.0° |
HN32 | N3B | PB | O2B | 93.7° | 60.0° |
HN32 | N3B | PB | O3A | 9.9° | 180.0° |
O1B | PB | O2B | O3A | 122.4° | 120.0° |
O1B | PB | O2B | HOB2 | 41.3° | 180.0° |
O1B | PB | O3A | PA | 12.5° | 60.0° |
O2B | PB | O3A | PA | 115.6° | 60.0° |
O3A | PB | O2B | HOB2 | 81.1° | 60.0° |
PB | O3A | PA | O1A | 63.0° | 60.0° |
PB | O3A | PA | O2A | 72.7° | 60.0° |
PB | O3A | PA | O5' | 174.0° | 180.0° |
O3A | PA | O1A | O2A | 130.9° | 120.0° |
O3A | PA | O1A | O5' | 100.7° | 120.0° |
O3A | PA | O2A | O5' | 102.9° | 120.0° |
O3A | PA | O2A | HOA2 | 180.0° | 60.0° |
O3A | PA | O5' | C5' | 154.8° | 180.0° |
O1A | PA | O2A | O5' | 127.9° | 120.0° |
O1A | PA | O2A | HOA2 | 50.7° | 180.0° |
O1A | PA | O5' | C5' | 94.7° | 60.0° |
O2A | PA | O5' | C5' | 39.8° | 60.0° |
O5' | PA | O2A | HOA2 | 77.1° | 60.0° |
PA | O5' | C5' | C4' | 158.5° | 180.0° |
PA | O5' | C5' | H5'2 | 84.5° | 60.0° |
PA | O5' | C5' | H5'1 | 38.1° | 59.9° |
O5' | C5' | C4' | H5'2 | 118.7° | 120.0° |
O5' | C5' | C4' | H5'1 | 119.0° | 120.1° |
O5' | C5' | H5'2 | H5'1 | 121.9° | 120.0° |
O5' | C5' | C4' | O4' | 170.3° | 61.4° |
O5' | C5' | C4' | C3' | 58.2° | 176.9° |
O5' | C5' | C4' | H4' | 69.0° | 60.8° |
C4' | C5' | H5'2 | H5'1 | 122.8° | 120.0° |
C5' | C4' | O4' | C3' | 117.0° | 119.0° |
C5' | C4' | O4' | H4' | 121.8° | 122.1° |
C5' | C4' | C3' | H4' | 127.1° | 122.2° |
C5' | C4' | O4' | C1' | 87.0° | 159.5° |
C5' | C4' | C3' | O3' | 152.2° | 98.3° |
C5' | C4' | C3' | C2' | 78.7° | 143.0° |
C5' | C4' | C3' | H3' | 36.4° | 24.3° |
H5'2 | C5' | C4' | O4' | 70.9° | 58.6° |
H5'2 | C5' | C4' | C3' | 176.9° | 57.0° |
H5'2 | C5' | C4' | H4' | 49.7° | 179.2° |
H5'1 | C5' | C4' | O4' | 51.4° | 178.5° |
H5'1 | C5' | C4' | C3' | 60.8° | 63.0° |
H5'1 | C5' | C4' | H4' | 172.0° | 59.3° |
O4' | C4' | C3' | H4' | 120.0° | 118.9° |
O4' | C4' | C3' | O3' | 94.9° | 142.8° |
O4' | C4' | C3' | C2' | 34.2° | 24.1° |
O4' | C4' | C3' | H3' | 149.3° | 94.6° |
C4' | O4' | C1' | C2' | 11.5° | 40.4° |
C4' | O4' | C1' | N9 | 114.1° | 159.4° |
C4' | O4' | C1' | H1' | 128.3° | 78.4° |
C3' | C4' | O4' | C1' | 30.0° | 40.5° |
C4' | C3' | O3' | C2' | 119.2° | 114.7° |
C4' | C3' | O3' | H3' | 117.4° | 122.6° |
C4' | C3' | C2' | H3' | 114.1° | 118.7° |
C4' | C3' | O3' | HO3' | 109.5° | 180.0° |
C4' | C3' | C2' | O2' | 153.1° | 118.8° |
C4' | C3' | C2' | C1' | 27.5° | 0.1° |
C4' | C3' | C2' | H2' | 85.6° | 118.6° |
H4' | C4' | O4' | C1' | 151.1° | 78.4° |
H4' | C4' | C3' | O3' | 25.1° | 23.9° |
H4' | C4' | C3' | C2' | 154.2° | 94.8° |
H4' | C4' | C3' | H3' | 90.8° | 146.5° |
O4' | C1' | C2' | C3' | 11.1° | 23.8° |
O4' | C1' | C2' | O2' | 139.0° | 142.6° |
O4' | C1' | C2' | N9 | 122.7° | 118.9° |
O4' | C1' | C2' | H1' | 117.0° | 118.9° |
O4' | C1' | C2' | H2' | 99.7° | 94.7° |
O4' | C1' | N9 | H1' | 119.0° | 122.2° |
O4' | C1' | N9 | C8 | 72.8° | 27.1° |
O4' | C1' | N9 | C4 | 93.4° | 153.0° |
O3' | C3' | C2' | H3' | 121.4° | 122.6° |
O3' | C3' | C2' | O2' | 28.6° | 0.1° |
O3' | C3' | C2' | C1' | 97.0° | 118.9° |
O3' | C3' | C2' | H2' | 149.9° | 122.7° |
C2' | C3' | O3' | HO3' | 9.7° | 65.3° |
C3' | C2' | O2' | C1' | 120.9° | 114.7° |
C3' | C2' | O2' | H2' | 118.7° | 122.6° |
C3' | C2' | C1' | H2' | 110.8° | 118.5° |
C3' | C2' | O2' | HO2' | 158.3° | 61.5° |
C3' | C2' | C1' | N9 | 133.8° | 142.8° |
C3' | C2' | C1' | H1' | 105.9° | 95.0° |
H3' | C3' | O3' | HO3' | 133.1° | 57.4° |
H3' | C3' | C2' | O2' | 92.9° | 122.5° |
H3' | C3' | C2' | C1' | 141.6° | 118.6° |
H3' | C3' | C2' | H2' | 28.4° | 0.1° |
O2' | C2' | C1' | H2' | 121.3° | 122.8° |
O2' | C2' | C1' | N9 | 98.3° | 98.5° |
O2' | C2' | C1' | H1' | 22.0° | 23.7° |
C1' | C2' | O2' | HO2' | 80.8° | 176.2° |
C2' | C1' | N9 | H1' | 121.3° | 122.3° |
C2' | C1' | N9 | C8 | 46.9° | 88.5° |
C2' | C1' | N9 | C4 | 146.9° | 91.5° |
H2' | C2' | O2' | HO2' | 39.5° | 61.1° |
H2' | C2' | C1' | N9 | 23.0° | 24.3° |
H2' | C2' | C1' | H1' | 143.3° | 146.5° |
C1' | N9 | C8 | C4 | 168.2° | 179.9° |
C1' | N9 | C8 | N7 | 168.1° | 180.0° |
C1' | N9 | C8 | H8 | 20.4° | 0.1° |
C1' | N9 | C4 | C5 | 169.8° | 180.0° |
C1' | N9 | C4 | N3 | 10.3° | 0.1° |
H1' | C1' | N9 | C8 | 168.2° | 149.3° |
H1' | C1' | N9 | C4 | 25.6° | 30.8° |
N9 | C8 | N7 | H8 | 171.7° | 179.9° |
N9 | C8 | N7 | C5 | 0.3° | 0.1° |
C8 | N9 | C4 | C5 | 0.1° | 0.1° |
C8 | N9 | C4 | N3 | 179.9° | 180.0° |
C4 | N9 | C8 | N7 | 0.1° | 0.1° |
C4 | N9 | C8 | H8 | 171.4° | 180.0° |
N9 | C4 | C5 | N7 | 0.3° | 0.0° |
N9 | C4 | C5 | C6 | 179.8° | 180.0° |
N9 | C4 | C5 | N3 | 179.8° | 179.9° |
N9 | C4 | N3 | C2 | 179.9° | 179.9° |
C8 | N7 | C5 | C6 | 179.9° | 180.0° |
C8 | N7 | C5 | C4 | 0.3° | 0.0° |
H8 | C8 | N7 | C5 | 171.4° | 180.0° |
N7 | C5 | C6 | C4 | 179.5° | 180.0° |
N7 | C5 | C6 | O6 | 2.7° | 0.0° |
N7 | C5 | C6 | N1 | 179.6° | 179.7° |
N7 | C5 | C4 | N3 | 179.9° | 179.9° |
C5 | C6 | O6 | N1 | 176.6° | 179.7° |
C5 | C6 | N1 | C2 | 0.0° | 0.6° |
C5 | C6 | N1 | HN1 | 179.8° | 180.0° |
C6 | C5 | C4 | N3 | 0.3° | 0.0° |
C4 | C5 | C6 | O6 | 176.8° | 180.0° |
C4 | C5 | C6 | N1 | 0.1° | 0.3° |
C5 | C4 | N3 | C2 | 0.3° | 0.0° |
O6 | C6 | N1 | C2 | 177.2° | 179.7° |
O6 | C6 | N1 | HN1 | 2.6° | 0.3° |
C6 | N1 | C2 | HN1 | 179.8° | 179.4° |
C6 | N1 | C2 | N2 | 179.9° | 179.7° |
C6 | N1 | C2 | N3 | 0.0° | 0.6° |
N1 | C2 | N2 | N3 | 179.9° | 179.7° |
N1 | C2 | N2 | HN21 | 119.3° | 179.7° |
N1 | C2 | N2 | HN22 | 55.8° | 0.5° |
N1 | C2 | N3 | C4 | 0.2° | 0.3° |
HN1 | N1 | C2 | N2 | 0.1° | 0.2° |
HN1 | N1 | C2 | N3 | 179.9° | 180.0° |
C2 | N2 | HN21 | HN22 | 175.3° | 179.8° |
N2 | C2 | N3 | C4 | 179.8° | 180.0° |
N3 | C2 | N2 | HN21 | 60.7° | 0.1° |
N3 | C2 | N2 | HN22 | 124.2° | 179.8° |