FMB
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C2 | sing | 1.36Å | 1.38Å | Aromatic |
N1 | C6 | sing | 1.35Å | 1.40Å | Aromatic |
N1 | HN1 | sing | 0.97Å | 1.02Å | |
C2 | N3 | doub | 1.30Å | 1.33Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.10Å | |
N3 | C4 | sing | 1.36Å | 1.35Å | Aromatic |
C4 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
C4 | C9 | sing | 1.41Å | 1.38Å | Aromatic |
C5 | C6 | sing | 1.42Å | 1.41Å | Aromatic |
C5 | N7 | sing | 1.37Å | 1.39Å | Aromatic |
C6 | O6 | doub | 1.22Å | 1.23Å | |
N7 | N8 | sing | 1.40Å | 1.31Å | Aromatic |
N7 | HN7 | sing | 0.97Å | 1.02Å | |
N8 | C9 | doub | 1.31Å | 1.38Å | Aromatic |
C9 | C1' | sing | 1.51Å | 1.48Å | |
C1' | C2' | sing | 1.54Å | 1.52Å | |
C1' | O4' | sing | 1.44Å | 1.42Å | |
C1' | H1' | sing | 1.09Å | 1.12Å | |
C2' | O2' | sing | 1.43Å | 1.41Å | |
C2' | C3' | sing | 1.55Å | 1.55Å | |
C2' | H2' | sing | 1.09Å | 1.12Å | |
O2' | HO2 | sing | 0.97Å | 0.95Å | |
C3' | O3' | sing | 1.43Å | 1.44Å | |
C3' | C4' | sing | 1.55Å | 1.52Å | |
C3' | H3' | sing | 1.09Å | 1.11Å | |
O3' | HO3 | sing | 0.97Å | 0.95Å | |
C4' | O4' | sing | 1.44Å | 1.45Å | |
C4' | C5' | sing | 1.53Å | 1.53Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
C5' | O5' | sing | 1.43Å | 1.44Å | |
C5' | H5'1 | sing | 1.09Å | 1.11Å | |
C5' | H5'2 | sing | 1.09Å | 1.12Å | |
O5' | HO5 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | N1 | C6 | 124.6° | 120.5° |
C2 | N1 | HN1 | 116.9° | 119.8° |
N1 | C2 | N3 | 124.1° | 122.2° |
N1 | C2 | H2 | 119.7° | 118.9° |
C6 | N1 | HN1 | 118.5° | 119.7° |
N1 | C6 | C5 | 111.8° | 118.3° |
N1 | C6 | O6 | 120.0° | 120.9° |
N3 | C2 | H2 | 116.2° | 118.9° |
C2 | N3 | C4 | 111.8° | 121.1° |
N3 | C4 | C5 | 128.4° | 119.2° |
N3 | C4 | C9 | 125.8° | 133.8° |
C5 | C4 | C9 | 105.8° | 107.1° |
C4 | C5 | C6 | 119.3° | 118.6° |
C4 | C5 | N7 | 110.9° | 106.9° |
C4 | C9 | N8 | 105.8° | 108.7° |
C4 | C9 | C1' | 145.1° | 125.7° |
C6 | C5 | N7 | 129.7° | 134.5° |
C5 | C6 | O6 | 128.2° | 120.8° |
C5 | N7 | N8 | 104.1° | 107.9° |
C5 | N7 | HN7 | 130.0° | 126.0° |
N8 | N7 | HN7 | 125.9° | 126.0° |
N7 | N8 | C9 | 113.4° | 109.4° |
N8 | C9 | C1' | 108.3° | 125.6° |
C9 | C1' | C2' | 112.7° | 110.0° |
C9 | C1' | O4' | 108.6° | 109.9° |
C9 | C1' | H1' | 107.2° | 109.8° |
C2' | C1' | O4' | 107.5° | 107.3° |
C2' | C1' | H1' | 108.3° | 109.9° |
C1' | C2' | O2' | 108.9° | 110.5° |
C1' | C2' | C3' | 104.8° | 104.2° |
C1' | C2' | H2' | 115.0° | 110.5° |
O4' | C1' | H1' | 112.5° | 109.9° |
C1' | O4' | C4' | 108.9° | 107.0° |
O2' | C2' | C3' | 115.3° | 110.4° |
O2' | C2' | H2' | 104.5° | 110.4° |
C2' | O2' | HO2 | 108.9° | 106.9° |
C3' | C2' | H2' | 108.7° | 110.6° |
C2' | C3' | O3' | 113.7° | 110.9° |
C2' | C3' | C4' | 104.1° | 102.0° |
C2' | C3' | H3' | 110.4° | 110.9° |
O3' | C3' | C4' | 109.7° | 111.2° |
O3' | C3' | H3' | 104.8° | 110.8° |
C3' | O3' | HO3 | 113.7° | 106.8° |
C4' | C3' | H3' | 114.4° | 110.8° |
C3' | C4' | O4' | 104.9° | 103.6° |
C3' | C4' | C5' | 114.5° | 110.6° |
C3' | C4' | H4' | 109.5° | 110.7° |
O4' | C4' | C5' | 110.1° | 110.6° |
O4' | C4' | H4' | 113.9° | 110.6° |
C5' | C4' | H4' | 104.2° | 110.5° |
C4' | C5' | O5' | 113.6° | 109.5° |
C4' | C5' | H5'1 | 110.7° | 109.5° |
C4' | C5' | H5'2 | 110.7° | 109.5° |
O5' | C5' | H5'1 | 110.7° | 109.4° |
O5' | C5' | H5'2 | 110.7° | 109.4° |
C5' | O5' | HO5 | 113.6° | 106.8° |
H5'1 | C5' | H5'2 | 99.6° | 109.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | N1 | C6 | HN1 | 179.9° | 180.0° |
N1 | C2 | N3 | H2 | 180.0° | 180.0° |
N1 | C2 | N3 | C4 | 0.6° | 0.2° |
C2 | N1 | C6 | C5 | 0.2° | 0.0° |
C2 | N1 | C6 | O6 | 179.9° | 180.0° |
C6 | N1 | C2 | N3 | 0.5° | 0.0° |
C6 | N1 | C2 | H2 | 179.5° | 180.0° |
N1 | C6 | C5 | C4 | 0.2° | 0.3° |
N1 | C6 | C5 | O6 | 179.9° | 180.0° |
N1 | C6 | C5 | N7 | 179.9° | 180.0° |
HN1 | N1 | C2 | N3 | 179.6° | 180.0° |
HN1 | N1 | C2 | H2 | 0.4° | 0.0° |
HN1 | N1 | C6 | C5 | 179.8° | 179.9° |
HN1 | N1 | C6 | O6 | 0.1° | 0.1° |
C2 | N3 | C4 | C5 | 0.6° | 0.5° |
C2 | N3 | C4 | C9 | 179.9° | 179.6° |
H2 | C2 | N3 | C4 | 179.4° | 179.8° |
N3 | C4 | C5 | C9 | 179.6° | 179.3° |
N3 | C4 | C5 | C6 | 0.4° | 0.5° |
N3 | C4 | C5 | N7 | 179.9° | 179.7° |
N3 | C4 | C9 | N8 | 179.7° | 179.6° |
N3 | C4 | C9 | C1' | 12.9° | 0.7° |
C4 | C5 | C6 | N7 | 179.7° | 179.7° |
C4 | C5 | C6 | O6 | 179.9° | 179.7° |
C4 | C5 | N7 | N8 | 0.3° | 0.2° |
C4 | C5 | N7 | HN7 | 179.7° | 179.7° |
C5 | C4 | C9 | N8 | 0.2° | 0.4° |
C5 | C4 | C9 | C1' | 167.5° | 179.9° |
C9 | C4 | C5 | C6 | 180.0° | 179.8° |
C9 | C4 | C5 | N7 | 0.3° | 0.4° |
C4 | C9 | N8 | N7 | 0.0° | 0.3° |
C4 | C9 | N8 | C1' | 172.4° | 179.7° |
C4 | C9 | C1' | C2' | 12.9° | 120.3° |
C4 | C9 | C1' | O4' | 132.0° | 121.7° |
C4 | C9 | C1' | H1' | 106.2° | 0.7° |
C6 | C5 | N7 | N8 | 180.0° | 180.0° |
C6 | C5 | N7 | HN7 | 0.0° | 0.0° |
N7 | C5 | C6 | O6 | 0.2° | 0.0° |
C5 | N7 | N8 | HN7 | 179.9° | 180.0° |
C5 | N7 | N8 | C9 | 0.2° | 0.0° |
N7 | N8 | C9 | C1' | 172.4° | 180.0° |
HN7 | N7 | N8 | C9 | 179.8° | 180.0° |
N8 | C9 | C1' | C2' | 180.0° | 59.3° |
N8 | C9 | C1' | O4' | 60.9° | 58.6° |
N8 | C9 | C1' | H1' | 60.9° | 179.6° |
C9 | C1' | C2' | O4' | 119.7° | 119.6° |
C9 | C1' | C2' | H1' | 118.5° | 121.0° |
C9 | C1' | O4' | H1' | 118.6° | 121.0° |
C9 | C1' | C2' | O2' | 122.7° | 119.6° |
C9 | C1' | C2' | C3' | 113.5° | 121.7° |
C9 | C1' | C2' | H2' | 5.8° | 2.9° |
C9 | C1' | O4' | C4' | 97.8° | 146.1° |
C2' | C1' | O4' | H1' | 119.2° | 119.4° |
C1' | C2' | O2' | C3' | 117.4° | 114.8° |
C1' | C2' | O2' | H2' | 123.4° | 122.6° |
C1' | C2' | C3' | H2' | 123.5° | 118.8° |
C1' | C2' | O2' | HO2 | 180.0° | 180.0° |
C1' | C2' | C3' | O3' | 106.6° | 139.1° |
C1' | C2' | C3' | C4' | 12.8° | 20.7° |
C1' | C2' | C3' | H3' | 135.9° | 97.3° |
C2' | C1' | O4' | C4' | 24.5° | 26.5° |
O4' | C1' | C2' | O2' | 117.6° | 120.8° |
O4' | C1' | C2' | C3' | 6.2° | 2.2° |
O4' | C1' | C2' | H2' | 125.5° | 116.7° |
C1' | O4' | C4' | C3' | 32.7° | 40.0° |
C1' | O4' | C4' | C5' | 91.0° | 158.5° |
C1' | O4' | C4' | H4' | 152.3° | 78.7° |
H1' | C1' | C2' | O2' | 4.2° | 1.4° |
H1' | C1' | C2' | C3' | 128.1° | 117.2° |
H1' | C1' | C2' | H2' | 112.6° | 123.9° |
H1' | C1' | O4' | C4' | 143.6° | 92.9° |
O2' | C2' | C3' | H2' | 116.8° | 122.5° |
O2' | C2' | C3' | O3' | 13.1° | 20.4° |
O2' | C2' | C3' | C4' | 132.4° | 98.1° |
O2' | C2' | C3' | H3' | 104.4° | 144.0° |
C3' | C2' | O2' | HO2 | 62.6° | 65.2° |
C2' | C3' | O3' | C4' | 116.1° | 112.8° |
C2' | C3' | O3' | H3' | 120.7° | 123.6° |
C2' | C3' | C4' | H3' | 120.5° | 118.1° |
C2' | C3' | O3' | HO3 | 180.0° | 179.9° |
C2' | C3' | C4' | O4' | 27.1° | 36.8° |
C2' | C3' | C4' | C5' | 93.8° | 155.4° |
C2' | C3' | C4' | H4' | 149.7° | 81.8° |
H2' | C2' | O2' | HO2 | 56.6° | 57.4° |
H2' | C2' | C3' | O3' | 129.9° | 102.1° |
H2' | C2' | C3' | C4' | 110.7° | 139.4° |
H2' | C2' | C3' | H3' | 12.4° | 21.5° |
O3' | C3' | C4' | H3' | 117.5° | 123.6° |
O3' | C3' | C4' | O4' | 95.0° | 155.1° |
O3' | C3' | C4' | C5' | 144.2° | 86.3° |
O3' | C3' | C4' | H4' | 27.6° | 36.5° |
C4' | C3' | O3' | HO3 | 63.9° | 67.3° |
C3' | C4' | O4' | C5' | 123.7° | 118.6° |
C3' | C4' | O4' | H4' | 119.7° | 118.6° |
C3' | C4' | C5' | H4' | 119.6° | 122.9° |
C3' | C4' | C5' | O5' | 171.9° | 177.8° |
C3' | C4' | C5' | H5'1 | 62.8° | 57.9° |
C3' | C4' | C5' | H5'2 | 46.6° | 62.2° |
H3' | C3' | O3' | HO3 | 59.4° | 56.3° |
H3' | C3' | C4' | O4' | 147.6° | 81.3° |
H3' | C3' | C4' | C5' | 26.8° | 37.3° |
H3' | C3' | C4' | H4' | 89.8° | 160.1° |
O4' | C4' | C5' | H4' | 122.6° | 122.8° |
O4' | C4' | C5' | O5' | 54.0° | 63.6° |
O4' | C4' | C5' | H5'1 | 179.3° | 56.3° |
O4' | C4' | C5' | H5'2 | 71.3° | 176.5° |
C4' | C5' | O5' | H5'1 | 125.3° | 120.0° |
C4' | C5' | O5' | H5'2 | 125.2° | 120.0° |
C4' | C5' | H5'1 | H5'2 | 116.5° | 120.1° |
C4' | C5' | O5' | HO5 | 180.0° | 179.9° |
H4' | C4' | C5' | O5' | 68.6° | 59.2° |
H4' | C4' | C5' | H5'1 | 56.7° | 179.2° |
H4' | C4' | C5' | H5'2 | 166.2° | 60.7° |
O5' | C5' | H5'1 | H5'2 | 116.6° | 119.9° |
H5'1 | C5' | O5' | HO5 | 54.8° | 60.0° |
H5'2 | C5' | O5' | HO5 | 54.7° | 60.1° |