5FD
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2' | C2' | sing | 1.43Å | 1.44Å | |
O2' | HO2 | sing | 0.97Å | 0.95Å | |
C2' | C3' | sing | 1.55Å | 1.53Å | |
C2' | C1' | sing | 1.55Å | 1.55Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
C3' | O3' | sing | 1.43Å | 1.44Å | |
C3' | C4' | sing | 1.54Å | 1.53Å | |
C3' | H3'' | sing | 1.09Å | 1.10Å | |
O3' | HO3 | sing | 0.97Å | 0.95Å | |
C4' | C5' | sing | 1.53Å | 1.49Å | |
C4' | O4' | sing | 1.44Å | 1.41Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
C5' | F19 | sing | 1.40Å | 1.36Å | |
C5' | H5'1 | sing | 1.09Å | 1.10Å | |
C5' | H5'2 | sing | 1.09Å | 1.10Å | |
O4' | C1' | sing | 1.44Å | 1.39Å | |
C1' | N9 | sing | 1.47Å | 1.43Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
N9 | C8 | sing | 1.36Å | 1.34Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.31Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.33Å | Aromatic |
C8 | HC8 | sing | 1.08Å | 1.08Å | |
N7 | C5 | sing | 1.35Å | 1.33Å | Aromatic |
C5 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
C5 | C6 | sing | 1.41Å | 1.37Å | Aromatic |
C4 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
N3 | C2 | doub | 1.32Å | 1.32Å | Aromatic |
C2 | N1 | sing | 1.32Å | 1.40Å | Aromatic |
C2 | HC2 | sing | 1.08Å | 1.08Å | |
N1 | C6 | doub | 1.33Å | 1.42Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.33Å | |
HN2 | N6 | sing | 0.97Å | 1.00Å | |
N6 | H1 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2' | O2' | HO2 | 109.5° | 114.0° |
O2' | C2' | C3' | 110.5° | 110.9° |
O2' | C2' | C1' | 110.3° | 110.9° |
O2' | C2' | H2' | 111.9° | 110.8° |
C3' | C2' | C1' | 102.9° | 102.1° |
C3' | C2' | H2' | 110.5° | 110.9° |
C2' | C3' | O3' | 110.4° | 110.5° |
C2' | C3' | C4' | 101.8° | 104.2° |
C2' | C3' | H3'' | 110.9° | 110.5° |
C1' | C2' | H2' | 110.3° | 111.0° |
C2' | C1' | O4' | 106.0° | 103.5° |
C2' | C1' | N9 | 110.7° | 110.6° |
C2' | C1' | H1' | 110.0° | 110.6° |
O3' | C3' | C4' | 110.2° | 110.5° |
O3' | C3' | H3'' | 112.2° | 110.4° |
C3' | O3' | HO3 | 109.5° | 114.0° |
C4' | C3' | H3'' | 110.9° | 110.6° |
C3' | C4' | C5' | 114.4° | 109.9° |
C3' | C4' | O4' | 102.7° | 107.3° |
C3' | C4' | H4' | 111.0° | 109.9° |
C5' | C4' | O4' | 103.9° | 109.9° |
C5' | C4' | H4' | 111.5° | 109.9° |
C4' | C5' | F19 | 110.5° | 109.4° |
C4' | C5' | H5'1 | 109.2° | 109.5° |
C4' | C5' | H5'2 | 109.2° | 109.5° |
O4' | C4' | H4' | 112.8° | 110.0° |
C4' | O4' | C1' | 104.6° | 107.0° |
F19 | C5' | H5'1 | 109.2° | 109.5° |
F19 | C5' | H5'2 | 109.2° | 109.4° |
H5'1 | C5' | H5'2 | 109.5° | 109.5° |
O4' | C1' | N9 | 105.9° | 110.7° |
O4' | C1' | H1' | 112.3° | 110.6° |
N9 | C1' | H1' | 111.7° | 110.7° |
C1' | N9 | C8 | 126.8° | 126.2° |
C1' | N9 | C4 | 124.7° | 126.3° |
C8 | N9 | C4 | 108.6° | 107.5° |
N9 | C8 | N7 | 110.5° | 109.9° |
N9 | C8 | HC8 | 124.7° | 125.1° |
N9 | C4 | C5 | 105.6° | 106.0° |
N9 | C4 | N3 | 131.5° | 134.9° |
N7 | C8 | HC8 | 124.7° | 125.0° |
C8 | N7 | C5 | 105.6° | 109.4° |
N7 | C5 | C4 | 109.7° | 107.1° |
N7 | C5 | C6 | 131.8° | 134.7° |
C4 | C5 | C6 | 118.5° | 118.1° |
C5 | C4 | N3 | 122.9° | 119.1° |
C5 | C6 | N1 | 117.3° | 118.5° |
C5 | C6 | N6 | 119.8° | 120.8° |
C4 | N3 | C2 | 120.6° | 120.7° |
N3 | C2 | N1 | 119.2° | 122.4° |
N3 | C2 | HC2 | 120.4° | 118.8° |
N1 | C2 | HC2 | 120.4° | 118.7° |
C2 | N1 | C6 | 121.6° | 121.2° |
N1 | C6 | N6 | 122.9° | 120.7° |
C6 | N6 | HN2 | 109.5° | 120.1° |
C6 | N6 | H1 | 109.5° | 120.0° |
HN2 | N6 | H1 | 109.5° | 119.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2' | C2' | C3' | C1' | 117.8° | 118.2° |
O2' | C2' | C3' | H2' | 124.4° | 123.6° |
O2' | C2' | C1' | H2' | 124.2° | 123.6° |
O2' | C2' | C3' | O3' | 13.1° | 20.4° |
O2' | C2' | C3' | C4' | 103.8° | 139.0° |
O2' | C2' | C3' | H3'' | 138.2° | 102.1° |
O2' | C2' | C1' | O4' | 131.9° | 155.2° |
O2' | C2' | C1' | N9 | 113.7° | 86.3° |
O2' | C2' | C1' | H1' | 10.2° | 36.7° |
HO2 | O2' | C2' | C3' | 180.0° | 61.4° |
HO2 | O2' | C2' | C1' | 66.8° | 174.1° |
HO2 | O2' | C2' | H2' | 56.4° | 62.2° |
C3' | C2' | C1' | H2' | 117.9° | 118.2° |
C2' | C3' | O3' | C4' | 111.6° | 114.8° |
C2' | C3' | O3' | H3'' | 124.3° | 122.6° |
C2' | C3' | C4' | H3'' | 118.0° | 118.8° |
C2' | C3' | O3' | HO3 | 180.0° | 180.0° |
C2' | C3' | C4' | C5' | 149.3° | 121.5° |
C2' | C3' | C4' | O4' | 37.4° | 2.0° |
C2' | C3' | C4' | H4' | 83.4° | 117.6° |
C3' | C2' | C1' | O4' | 13.9° | 37.0° |
C3' | C2' | C1' | N9 | 128.3° | 155.5° |
C3' | C2' | C1' | H1' | 107.7° | 81.5° |
C1' | C2' | C3' | O3' | 130.9° | 97.8° |
C1' | C2' | C3' | C4' | 14.0° | 20.9° |
C1' | C2' | C3' | H3'' | 104.0° | 139.7° |
C2' | C1' | O4' | C4' | 39.1° | 40.1° |
C2' | C1' | O4' | N9 | 117.6° | 118.5° |
C2' | C1' | O4' | H1' | 120.2° | 118.5° |
C2' | C1' | N9 | H1' | 123.0° | 123.0° |
C2' | C1' | N9 | C8 | 48.9° | 95.0° |
C2' | C1' | N9 | C4 | 130.2° | 84.7° |
H2' | C2' | C3' | O3' | 111.3° | 143.9° |
H2' | C2' | C3' | C4' | 131.8° | 97.4° |
H2' | C2' | C3' | H3'' | 13.8° | 21.4° |
H2' | C2' | C1' | O4' | 104.0° | 81.2° |
H2' | C2' | C1' | N9 | 10.4° | 37.3° |
H2' | C2' | C1' | H1' | 134.4° | 160.3° |
O3' | C3' | C4' | H3'' | 124.9° | 122.5° |
O3' | C3' | C4' | C5' | 93.5° | 119.9° |
O3' | C3' | C4' | O4' | 154.6° | 120.7° |
O3' | C3' | C4' | H4' | 33.8° | 1.1° |
C4' | C3' | O3' | HO3 | 68.4° | 65.2° |
C3' | C4' | C5' | O4' | 111.2° | 117.8° |
C3' | C4' | C5' | H4' | 126.9° | 121.0° |
C3' | C4' | O4' | H4' | 119.5° | 119.5° |
C3' | C4' | C5' | F19 | 75.3° | 175.0° |
C3' | C4' | C5' | H5'1 | 44.9° | 55.0° |
C3' | C4' | C5' | H5'2 | 164.6° | 65.0° |
C3' | C4' | O4' | C1' | 48.4° | 26.5° |
H3'' | C3' | O3' | HO3 | 55.7° | 57.5° |
H3'' | C3' | C4' | C5' | 31.4° | 2.7° |
H3'' | C3' | C4' | O4' | 80.6° | 116.7° |
H3'' | C3' | C4' | H4' | 158.6° | 123.7° |
C5' | C4' | O4' | H4' | 121.0° | 121.1° |
C4' | C5' | F19 | H5'1 | 120.1° | 120.1° |
C4' | C5' | F19 | H5'2 | 120.1° | 120.0° |
C4' | C5' | H5'1 | H5'2 | 119.5° | 120.0° |
C5' | C4' | O4' | C1' | 167.9° | 145.9° |
O4' | C4' | C5' | F19 | 173.5° | 67.2° |
O4' | C4' | C5' | H5'1 | 66.4° | 172.8° |
O4' | C4' | C5' | H5'2 | 53.3° | 52.8° |
C4' | O4' | C1' | N9 | 156.8° | 158.6° |
C4' | O4' | C1' | H1' | 81.0° | 78.4° |
H4' | C4' | C5' | F19 | 51.6° | 54.0° |
H4' | C4' | C5' | H5'1 | 171.8° | 66.0° |
H4' | C4' | C5' | H5'2 | 68.5° | 174.0° |
H4' | C4' | O4' | C1' | 71.1° | 93.0° |
F19 | C5' | H5'1 | H5'2 | 119.6° | 120.0° |
O4' | C1' | N9 | H1' | 122.6° | 123.0° |
O4' | C1' | N9 | C8 | 65.6° | 19.1° |
O4' | C1' | N9 | C4 | 115.4° | 161.2° |
C1' | N9 | C8 | C4 | 179.2° | 179.8° |
C1' | N9 | C8 | N7 | 179.4° | 180.0° |
C1' | N9 | C8 | HC8 | 0.6° | 0.1° |
C1' | N9 | C4 | C5 | 178.8° | 179.9° |
C1' | N9 | C4 | N3 | 0.3° | 0.1° |
H1' | C1' | N9 | C8 | 171.9° | 142.0° |
H1' | C1' | N9 | C4 | 7.2° | 38.2° |
N9 | C8 | N7 | HC8 | 180.0° | 179.9° |
N9 | C8 | N7 | C5 | 0.7° | 0.0° |
C8 | N9 | C4 | C5 | 0.3° | 0.4° |
C8 | N9 | C4 | N3 | 179.5° | 179.7° |
C4 | N9 | C8 | N7 | 0.2° | 0.3° |
C4 | N9 | C8 | HC8 | 179.8° | 179.9° |
N9 | C4 | C5 | N7 | 0.8° | 0.3° |
N9 | C4 | C5 | N3 | 179.2° | 180.0° |
N9 | C4 | C5 | C6 | 179.8° | 179.9° |
N9 | C4 | N3 | C2 | 179.8° | 180.0° |
C8 | N7 | C5 | C4 | 0.9° | 0.2° |
C8 | N7 | C5 | C6 | 179.8° | 180.0° |
HC8 | C8 | N7 | C5 | 179.3° | 179.9° |
N7 | C5 | C4 | C6 | 179.4° | 179.8° |
N7 | C5 | C4 | N3 | 179.9° | 179.7° |
N7 | C5 | C6 | N1 | 179.1° | 179.3° |
N7 | C5 | C6 | N6 | 0.8° | 0.0° |
C5 | C4 | N3 | C2 | 0.8° | 0.1° |
C4 | C5 | C6 | N1 | 0.1° | 0.5° |
C4 | C5 | C6 | N6 | 180.0° | 179.8° |
C6 | C5 | C4 | N3 | 0.6° | 0.1° |
C5 | C6 | N1 | C2 | 0.6° | 0.7° |
C5 | C6 | N1 | N6 | 179.9° | 179.3° |
C5 | C6 | N6 | HN2 | 179.9° | 180.0° |
C5 | C6 | N6 | H1 | 59.9° | 0.0° |
C4 | N3 | C2 | N1 | 0.3° | 0.1° |
C4 | N3 | C2 | HC2 | 179.7° | 180.0° |
N3 | C2 | N1 | HC2 | 180.0° | 179.9° |
N3 | C2 | N1 | C6 | 0.4° | 0.5° |
C2 | N1 | C6 | N6 | 179.5° | 180.0° |
HC2 | C2 | N1 | C6 | 179.6° | 179.6° |
N1 | C6 | N6 | HN2 | 0.0° | 0.7° |
N1 | C6 | N6 | H1 | 120.0° | 179.3° |
C6 | N6 | HN2 | H1 | 120.0° | 180.0° |