FX3
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | C9 | doub | 1.22Å | 1.22Å | |
C9 | C8 | sing | 1.48Å | 1.48Å | |
C9 | O5' | sing | 1.47Å | 1.47Å | |
C8 | C7 | doub | 1.34Å | 1.34Å | |
C7 | C1 | sing | 1.48Å | 1.48Å | |
C1 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
C1 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
C5 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
C4 | O4 | sing | 1.37Å | 1.37Å | |
C4 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
C3 | O3 | sing | 1.38Å | 1.38Å | |
C3 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
O3 | C10 | sing | 1.43Å | 1.43Å | |
O5' | C5' | sing | 1.43Å | 1.43Å | |
C5' | C4' | sing | 1.52Å | 1.52Å | |
C4' | O4' | sing | 1.43Å | 1.43Å | |
C4' | C3' | sing | 1.52Å | 1.52Å | |
O4' | C1' | sing | 1.43Å | 1.43Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
C3' | C2' | sing | 1.52Å | 1.52Å | |
C2' | O2' | sing | 1.43Å | 1.43Å | |
C2' | C1' | sing | 1.52Å | 1.52Å | |
C1' | OXT | sing | 1.34Å | 1.34Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C7 | H7 | sing | 1.08Å | 1.08Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C5 | H5 | sing | 1.08Å | 1.08Å | |
O4 | H4 | sing | 0.95Å | 0.95Å | |
C10 | H101 | sing | 1.10Å | 1.10Å | |
C10 | H102 | sing | 1.10Å | 1.10Å | |
C10 | H103 | sing | 1.10Å | 1.10Å | |
C5' | H5'1 | sing | 1.10Å | 1.10Å | |
C5' | H5'2 | sing | 1.10Å | 1.10Å | |
C4' | H4' | sing | 1.10Å | 1.10Å | |
C3' | H3' | sing | 1.10Å | 1.10Å | |
C1' | H1' | sing | 1.10Å | 1.10Å | |
O3' | HA | sing | 0.95Å | 0.95Å | |
C2' | H2' | sing | 1.10Å | 1.10Å | |
O2' | HB | sing | 0.95Å | 0.95Å | |
OXT | HOT | sing | 0.95Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | C9 | C8 | 120.7° | 120.7° |
O2 | C9 | O5' | 118.2° | 118.2° |
C8 | C9 | O5' | 121.1° | 121.1° |
C9 | C8 | C7 | 118.9° | 118.9° |
C9 | C8 | H8 | 120.5° | 120.5° |
C9 | O5' | C5' | 122.0° | 122.0° |
C8 | C7 | C1 | 124.2° | 124.2° |
C7 | C8 | H8 | 120.5° | 120.5° |
C8 | C7 | H7 | 117.9° | 117.9° |
C7 | C1 | C6 | 117.8° | 117.8° |
C7 | C1 | C2 | 121.6° | 121.6° |
C1 | C7 | H7 | 117.9° | 117.9° |
C6 | C1 | C2 | 120.5° | 120.5° |
C1 | C6 | C5 | 120.0° | 120.0° |
C1 | C6 | H6 | 120.0° | 120.0° |
C1 | C2 | C3 | 119.7° | 119.7° |
C1 | C2 | H2 | 120.1° | 120.1° |
C6 | C5 | C4 | 119.8° | 119.8° |
C5 | C6 | H6 | 120.0° | 120.0° |
C6 | C5 | H5 | 120.1° | 120.1° |
C5 | C4 | O4 | 118.7° | 118.7° |
C5 | C4 | C3 | 120.3° | 120.3° |
C4 | C5 | H5 | 120.1° | 120.1° |
O4 | C4 | C3 | 121.0° | 121.0° |
C4 | O4 | H4 | 109.5° | 109.5° |
C4 | C3 | O3 | 120.8° | 120.8° |
C4 | C3 | C2 | 119.6° | 119.6° |
O3 | C3 | C2 | 119.6° | 119.6° |
C3 | O3 | C10 | 121.4° | 121.4° |
C3 | C2 | H2 | 120.1° | 120.1° |
O3 | C10 | H101 | 109.5° | 109.5° |
O3 | C10 | H102 | 109.5° | 109.5° |
O3 | C10 | H103 | 109.5° | 109.5° |
O5' | C5' | C4' | 111.3° | 111.3° |
O5' | C5' | H5'1 | 108.9° | 108.9° |
O5' | C5' | H5'2 | 108.4° | 108.4° |
C5' | C4' | O4' | 109.4° | 109.4° |
C5' | C4' | C3' | 112.6° | 112.6° |
C4' | C5' | H5'1 | 108.8° | 108.8° |
C4' | C5' | H5'2 | 108.4° | 108.4° |
C5' | C4' | H4' | 106.8° | 106.8° |
O4' | C4' | C3' | 107.7° | 107.7° |
C4' | O4' | C1' | 110.6° | 110.6° |
O4' | C4' | H4' | 111.8° | 111.8° |
C4' | C3' | O3' | 109.2° | 109.2° |
C4' | C3' | C2' | 104.8° | 104.8° |
C3' | C4' | H4' | 108.5° | 108.5° |
C4' | C3' | H3' | 113.5° | 113.5° |
O4' | C1' | C2' | 105.9° | 105.9° |
O4' | C1' | OXT | 101.3° | 101.3° |
O4' | C1' | H1' | 125.5° | 125.5° |
O3' | C3' | C2' | 111.7° | 111.7° |
O3' | C3' | H3' | 106.7° | 106.7° |
C3' | O3' | HA | 109.5° | 109.5° |
C3' | C2' | O2' | 112.8° | 112.8° |
C3' | C2' | C1' | 105.3° | 105.3° |
C2' | C3' | H3' | 111.0° | 111.0° |
C3' | C2' | H2' | 110.2° | 110.2° |
O2' | C2' | C1' | 109.7° | 109.7° |
O2' | C2' | H2' | 105.8° | 105.8° |
C2' | O2' | HB | 109.5° | 109.5° |
C2' | C1' | OXT | 127.8° | 127.8° |
C2' | C1' | H1' | 97.1° | 97.1° |
C1' | C2' | H2' | 113.2° | 113.3° |
OXT | C1' | H1' | 102.1° | 102.0° |
C1' | OXT | HOT | 109.5° | 109.5° |
H101 | C10 | H102 | 109.5° | 109.5° |
H101 | C10 | H103 | 109.5° | 109.5° |
H102 | C10 | H103 | 109.4° | 109.4° |
H5'1 | C5' | H5'2 | 111.0° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C9 | C8 | O5' | 178.5° | 178.5° |
O2 | C9 | C8 | C7 | 169.3° | 169.3° |
O2 | C9 | O5' | C5' | 128.4° | 128.4° |
O2 | C9 | C8 | H8 | 10.7° | 10.7° |
C9 | C8 | C7 | H8 | 180.0° | 180.0° |
C9 | C8 | C7 | C1 | 178.9° | 178.9° |
C8 | C9 | O5' | C5' | 53.1° | 53.1° |
C9 | C8 | C7 | H7 | 1.1° | 1.1° |
O5' | C9 | C8 | C7 | 9.2° | 9.2° |
C9 | O5' | C5' | C4' | 177.7° | 177.7° |
O5' | C9 | C8 | H8 | 170.8° | 170.8° |
C9 | O5' | C5' | H5'1 | 57.7° | 57.7° |
C9 | O5' | C5' | H5'2 | 63.1° | 63.1° |
C8 | C7 | C1 | H7 | 180.0° | 180.0° |
C8 | C7 | C1 | C6 | 148.5° | 148.5° |
C8 | C7 | C1 | C2 | 31.4° | 31.4° |
C7 | C1 | C6 | C2 | 179.8° | 179.8° |
C7 | C1 | C6 | C5 | 180.0° | 180.0° |
C7 | C1 | C2 | C3 | 180.0° | 180.0° |
C1 | C7 | C8 | H8 | 1.1° | 1.1° |
C7 | C1 | C6 | H6 | 0.0° | 0.0° |
C7 | C1 | C2 | H2 | 0.1° | 0.1° |
C1 | C6 | C5 | H6 | 180.0° | 180.0° |
C1 | C6 | C5 | C4 | 0.2° | 0.2° |
C6 | C1 | C2 | C3 | 0.2° | 0.2° |
C6 | C1 | C7 | H7 | 31.5° | 31.5° |
C6 | C1 | C2 | H2 | 179.8° | 179.8° |
C1 | C6 | C5 | H5 | 179.8° | 179.8° |
C2 | C1 | C6 | C5 | 0.2° | 0.2° |
C1 | C2 | C3 | C4 | 0.3° | 0.3° |
C1 | C2 | C3 | O3 | 179.8° | 179.8° |
C1 | C2 | C3 | H2 | 180.0° | 180.0° |
C2 | C1 | C7 | H7 | 148.7° | 148.7° |
C2 | C1 | C6 | H6 | 179.9° | 179.9° |
C6 | C5 | C4 | H5 | 180.0° | 180.0° |
C6 | C5 | C4 | O4 | 179.9° | 179.9° |
C6 | C5 | C4 | C3 | 0.2° | 0.2° |
C5 | C4 | O4 | C3 | 179.9° | 179.9° |
C5 | C4 | C3 | O3 | 179.8° | 179.8° |
C5 | C4 | C3 | C2 | 0.3° | 0.3° |
C4 | C5 | C6 | H6 | 179.9° | 179.9° |
C5 | C4 | O4 | H4 | 126.5° | 126.5° |
O4 | C4 | C3 | O3 | 0.1° | 0.1° |
O4 | C4 | C3 | C2 | 179.8° | 179.8° |
O4 | C4 | C5 | H5 | 0.1° | 0.1° |
C4 | C3 | O3 | C2 | 179.9° | 179.9° |
C4 | C3 | O3 | C10 | 115.9° | 115.9° |
C4 | C3 | C2 | H2 | 179.7° | 179.7° |
C3 | C4 | C5 | H5 | 179.8° | 179.8° |
C3 | C4 | O4 | H4 | 53.4° | 53.4° |
O3 | C3 | C2 | H2 | 0.2° | 0.2° |
C3 | O3 | C10 | H101 | 28.2° | 28.2° |
C3 | O3 | C10 | H102 | 91.8° | 91.8° |
C3 | O3 | C10 | H103 | 148.2° | 148.2° |
C2 | C3 | O3 | C10 | 64.2° | 64.2° |
O3 | C10 | H101 | H102 | 120.0° | 120.0° |
O3 | C10 | H101 | H103 | 120.0° | 120.0° |
O3 | C10 | H102 | H103 | 120.0° | 120.0° |
O5' | C5' | C4' | H5'1 | 120.0° | 120.0° |
O5' | C5' | C4' | H5'2 | 119.2° | 119.2° |
O5' | C5' | C4' | O4' | 58.3° | 58.3° |
O5' | C5' | C4' | C3' | 61.5° | 61.5° |
O5' | C5' | H5'1 | H5'2 | 119.2° | 119.2° |
O5' | C5' | C4' | H4' | 179.4° | 179.5° |
C5' | C4' | O4' | C3' | 122.7° | 122.7° |
C5' | C4' | O4' | H4' | 118.1° | 118.1° |
C5' | C4' | C3' | H4' | 118.1° | 118.0° |
C5' | C4' | O4' | C1' | 133.6° | 133.6° |
C5' | C4' | C3' | O3' | 124.2° | 124.2° |
C5' | C4' | C3' | C2' | 116.0° | 116.0° |
C4' | C5' | H5'1 | H5'2 | 119.2° | 119.2° |
C5' | C4' | C3' | H3' | 5.3° | 5.3° |
O4' | C4' | C3' | H4' | 121.2° | 121.2° |
O4' | C4' | C3' | O3' | 115.1° | 115.1° |
O4' | C4' | C3' | C2' | 4.8° | 4.8° |
C4' | O4' | C1' | C2' | 22.0° | 22.0° |
C4' | O4' | C1' | OXT | 113.0° | 113.0° |
O4' | C4' | C5' | H5'1 | 61.7° | 61.7° |
O4' | C4' | C5' | H5'2 | 177.5° | 177.5° |
O4' | C4' | C3' | H3' | 126.0° | 126.0° |
C4' | O4' | C1' | H1' | 133.2° | 133.2° |
C3' | C4' | O4' | C1' | 10.9° | 10.9° |
C4' | C3' | O3' | C2' | 115.4° | 115.4° |
C4' | C3' | O3' | H3' | 123.0° | 123.0° |
C4' | C3' | C2' | H3' | 122.8° | 122.8° |
C4' | C3' | C2' | O2' | 137.0° | 137.0° |
C4' | C3' | C2' | C1' | 17.4° | 17.4° |
C3' | C4' | C5' | H5'1 | 178.5° | 178.5° |
C3' | C4' | C5' | H5'2 | 57.7° | 57.7° |
C4' | C3' | O3' | HA | 134.3° | 134.3° |
C4' | C3' | C2' | H2' | 105.0° | 105.1° |
O4' | C1' | C2' | C3' | 24.1° | 24.1° |
O4' | C1' | C2' | O2' | 145.7° | 145.7° |
O4' | C1' | C2' | OXT | 118.7° | 118.7° |
O4' | C1' | C2' | H1' | 130.0° | 130.1° |
O4' | C1' | OXT | H1' | 130.4° | 130.4° |
C1' | O4' | C4' | H4' | 108.3° | 108.3° |
O4' | C1' | C2' | H2' | 96.3° | 96.3° |
O4' | C1' | OXT | HOT | 154.7° | 154.7° |
O3' | C3' | C2' | H3' | 119.0° | 119.0° |
O3' | C3' | C2' | O2' | 18.8° | 18.8° |
O3' | C3' | C2' | C1' | 100.8° | 100.8° |
O3' | C3' | C4' | H4' | 6.1° | 6.2° |
O3' | C3' | C2' | H2' | 136.8° | 136.8° |
C3' | C2' | O2' | C1' | 117.0° | 117.0° |
C3' | C2' | O2' | H2' | 120.5° | 120.5° |
C3' | C2' | C1' | H2' | 120.4° | 120.4° |
C3' | C2' | C1' | OXT | 94.5° | 94.5° |
C2' | C3' | C4' | H4' | 126.0° | 126.0° |
C3' | C2' | C1' | H1' | 154.2° | 154.2° |
C2' | C3' | O3' | HA | 18.9° | 18.9° |
C3' | C2' | O2' | HB | 177.0° | 177.0° |
O2' | C2' | C1' | H2' | 118.0° | 117.9° |
O2' | C2' | C1' | OXT | 27.1° | 27.1° |
O2' | C2' | C3' | H3' | 100.2° | 100.2° |
O2' | C2' | C1' | H1' | 84.2° | 84.2° |
C2' | C1' | OXT | H1' | 109.0° | 109.0° |
C1' | C2' | C3' | H3' | 140.2° | 140.2° |
C1' | C2' | O2' | HB | 66.0° | 66.0° |
C2' | C1' | OXT | HOT | 84.7° | 84.7° |
OXT | C1' | C2' | H2' | 145.0° | 145.0° |
H8 | C8 | C7 | H7 | 178.9° | 178.9° |
H6 | C6 | C5 | H5 | 0.1° | 0.1° |
H101 | C10 | H102 | H103 | 120.0° | 120.0° |
H5'1 | C5' | C4' | H4' | 59.4° | 59.4° |
H5'2 | C5' | C4' | H4' | 61.4° | 61.4° |
H4' | C4' | C3' | H3' | 112.8° | 112.7° |
H3' | C3' | O3' | HA | 102.6° | 102.6° |
H3' | C3' | C2' | H2' | 17.8° | 17.8° |
H1' | C1' | C2' | H2' | 33.7° | 33.7° |
H1' | C1' | OXT | HOT | 24.3° | 24.3° |
H2' | C2' | O2' | HB | 56.5° | 56.5° |