2FA
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O5' | C5' | sing | 1.43Å | 1.45Å | |
O5' | H5' | sing | 0.97Å | 0.95Å | |
C5' | C4' | sing | 1.53Å | 1.54Å | |
C5' | H5'1 | sing | 1.09Å | 1.11Å | |
C5' | H5'2 | sing | 1.09Å | 1.11Å | |
C4' | O4' | sing | 1.44Å | 1.46Å | |
C4' | C3' | sing | 1.55Å | 1.54Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
O4' | C1' | sing | 1.44Å | 1.43Å | |
C1' | N9 | sing | 1.47Å | 1.50Å | |
C1' | C2' | sing | 1.54Å | 1.57Å | |
C1' | H1' | sing | 1.09Å | 1.11Å | |
N9 | C4 | sing | 1.37Å | 1.42Å | Aromatic |
N9 | C8 | sing | 1.36Å | 1.35Å | Aromatic |
C4 | N3 | doub | 1.33Å | 1.38Å | Aromatic |
C4 | C5 | sing | 1.40Å | 1.38Å | Aromatic |
N3 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
C2 | F | sing | 1.35Å | 1.31Å | |
C2 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
N1 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.31Å | |
C6 | C5 | doub | 1.41Å | 1.41Å | Aromatic |
N6 | HN61 | sing | 0.97Å | 1.02Å | |
N6 | HN62 | sing | 0.97Å | 1.02Å | |
C5 | N7 | sing | 1.36Å | 1.38Å | Aromatic |
N7 | C8 | doub | 1.30Å | 1.30Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
C2' | O2' | sing | 1.43Å | 1.46Å | |
C2' | C3' | sing | 1.55Å | 1.57Å | |
C2' | H2' | sing | 1.09Å | 1.12Å | |
O2' | H1 | sing | 0.97Å | 0.95Å | |
C3' | O3' | sing | 1.43Å | 1.42Å | |
C3' | H3' | sing | 1.09Å | 1.12Å | |
O3' | H2 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C5' | O5' | H5' | 112.6° | 106.8° |
O5' | C5' | C4' | 112.5° | 109.5° |
O5' | C5' | H5'1 | 111.1° | 109.4° |
O5' | C5' | H5'2 | 111.1° | 109.5° |
C4' | C5' | H5'1 | 111.1° | 109.5° |
C4' | C5' | H5'2 | 111.1° | 109.5° |
C5' | C4' | O4' | 114.5° | 110.4° |
C5' | C4' | C3' | 115.5° | 110.5° |
C5' | C4' | H4' | 99.9° | 110.4° |
H5'1 | C5' | H5'2 | 99.3° | 109.4° |
O4' | C4' | C3' | 104.2° | 104.8° |
O4' | C4' | H4' | 112.0° | 110.4° |
C4' | O4' | C1' | 110.1° | 105.3° |
C3' | C4' | H4' | 111.0° | 110.3° |
C4' | C3' | C2' | 103.0° | 104.1° |
C4' | C3' | O3' | 107.9° | 110.5° |
C4' | C3' | H3' | 115.2° | 110.5° |
O4' | C1' | N9 | 108.4° | 110.4° |
O4' | C1' | C2' | 105.8° | 104.9° |
O4' | C1' | H1' | 115.9° | 110.4° |
N9 | C1' | C2' | 117.8° | 110.4° |
N9 | C1' | H1' | 103.4° | 110.3° |
C1' | N9 | C4 | 132.2° | 126.3° |
C1' | N9 | C8 | 124.6° | 126.3° |
C2' | C1' | H1' | 106.0° | 110.3° |
C1' | C2' | O2' | 115.3° | 110.8° |
C1' | C2' | C3' | 104.9° | 104.0° |
C1' | C2' | H2' | 111.4° | 110.4° |
C4 | N9 | C8 | 103.2° | 107.5° |
N9 | C4 | N3 | 128.9° | 134.9° |
N9 | C4 | C5 | 105.7° | 106.0° |
N9 | C8 | N7 | 117.2° | 110.0° |
N9 | C8 | H8 | 123.0° | 125.0° |
N3 | C4 | C5 | 125.4° | 119.1° |
C4 | N3 | C2 | 112.4° | 120.6° |
C4 | C5 | C6 | 116.6° | 118.2° |
C4 | C5 | N7 | 111.0° | 107.1° |
N3 | C2 | F | 118.6° | 118.8° |
N3 | C2 | N1 | 127.3° | 122.4° |
F | C2 | N1 | 114.2° | 118.8° |
C2 | N1 | C6 | 118.7° | 121.2° |
N1 | C6 | N6 | 118.9° | 120.8° |
N1 | C6 | C5 | 119.7° | 118.5° |
N6 | C6 | C5 | 121.4° | 120.8° |
C6 | N6 | HN61 | 108.8° | 120.0° |
C6 | N6 | HN62 | 118.9° | 120.0° |
C6 | C5 | N7 | 132.3° | 134.6° |
HN61 | N6 | HN62 | 108.8° | 120.0° |
C5 | N7 | C8 | 102.8° | 109.4° |
N7 | C8 | H8 | 119.8° | 125.0° |
O2' | C2' | C3' | 116.3° | 110.5° |
O2' | C2' | H2' | 98.6° | 110.5° |
C2' | O2' | H1 | 115.3° | 106.8° |
C3' | C2' | H2' | 110.3° | 110.5° |
C2' | C3' | O3' | 111.4° | 110.5° |
C2' | C3' | H3' | 111.9° | 110.6° |
O3' | C3' | H3' | 107.4° | 110.5° |
C3' | O3' | H2 | 107.9° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O5' | C5' | C4' | H5'1 | 125.3° | 120.0° |
O5' | C5' | C4' | H5'2 | 125.2° | 120.1° |
O5' | C5' | H5'1 | H5'2 | 117.0° | 120.0° |
O5' | C5' | C4' | O4' | 58.1° | 66.5° |
O5' | C5' | C4' | C3' | 179.2° | 178.1° |
O5' | C5' | C4' | H4' | 61.7° | 55.8° |
H5' | O5' | C5' | C4' | 180.0° | 180.0° |
H5' | O5' | C5' | H5'1 | 54.7° | 60.0° |
H5' | O5' | C5' | H5'2 | 54.8° | 59.9° |
C4' | C5' | H5'1 | H5'2 | 116.9° | 120.0° |
C5' | C4' | O4' | C3' | 127.1° | 118.9° |
C5' | C4' | O4' | H4' | 112.8° | 122.3° |
C5' | C4' | C3' | H4' | 112.7° | 122.3° |
C5' | C4' | O4' | C1' | 92.1° | 159.5° |
C5' | C4' | C3' | C2' | 94.2° | 142.9° |
C5' | C4' | C3' | O3' | 148.0° | 98.4° |
C5' | C4' | C3' | H3' | 28.0° | 24.2° |
H5'1 | C5' | C4' | O4' | 176.6° | 173.5° |
H5'1 | C5' | C4' | C3' | 55.5° | 58.1° |
H5'1 | C5' | C4' | H4' | 63.5° | 64.2° |
H5'2 | C5' | C4' | O4' | 67.1° | 53.6° |
H5'2 | C5' | C4' | C3' | 54.0° | 61.8° |
H5'2 | C5' | C4' | H4' | 173.0° | 175.9° |
O4' | C4' | C3' | H4' | 120.8° | 118.8° |
C4' | O4' | C1' | N9 | 105.3° | 159.4° |
C4' | O4' | C1' | C2' | 21.9° | 40.5° |
C4' | O4' | C1' | H1' | 139.0° | 78.4° |
O4' | C4' | C3' | C2' | 32.3° | 24.1° |
O4' | C4' | C3' | O3' | 85.5° | 142.7° |
O4' | C4' | C3' | H3' | 154.5° | 94.7° |
C3' | C4' | O4' | C1' | 35.0° | 40.5° |
C4' | C3' | C2' | C1' | 19.5° | 0.2° |
C4' | C3' | C2' | O2' | 148.3° | 118.8° |
C4' | C3' | C2' | O3' | 115.4° | 118.6° |
C4' | C3' | C2' | H3' | 124.4° | 118.7° |
C4' | C3' | C2' | H2' | 100.5° | 118.6° |
C4' | C3' | O3' | H3' | 124.8° | 122.6° |
C4' | C3' | O3' | H2 | 180.0° | 61.5° |
H4' | C4' | O4' | C1' | 155.1° | 78.3° |
H4' | C4' | C3' | C2' | 153.1° | 94.7° |
H4' | C4' | C3' | O3' | 35.2° | 23.9° |
H4' | C4' | C3' | H3' | 84.7° | 146.5° |
O4' | C1' | N9 | C2' | 120.0° | 115.5° |
O4' | C1' | N9 | H1' | 123.5° | 122.3° |
O4' | C1' | C2' | H1' | 123.6° | 118.9° |
O4' | C1' | N9 | C4 | 106.4° | 158.0° |
O4' | C1' | N9 | C8 | 73.3° | 22.1° |
O4' | C1' | C2' | O2' | 129.1° | 142.6° |
O4' | C1' | C2' | C3' | 0.3° | 23.8° |
O4' | C1' | C2' | H2' | 119.6° | 94.7° |
N9 | C1' | C2' | H1' | 115.1° | 122.2° |
C1' | N9 | C4 | C8 | 179.8° | 179.9° |
C1' | N9 | C4 | N3 | 0.3° | 0.1° |
C1' | N9 | C4 | C5 | 179.6° | 179.7° |
C1' | N9 | C8 | N7 | 179.7° | 180.0° |
C1' | N9 | C8 | H8 | 0.3° | 0.1° |
N9 | C1' | C2' | O2' | 109.6° | 98.5° |
N9 | C1' | C2' | C3' | 121.0° | 142.7° |
N9 | C1' | C2' | H2' | 1.7° | 24.2° |
C2' | C1' | N9 | C4 | 13.6° | 86.5° |
C2' | C1' | N9 | C8 | 166.7° | 93.4° |
C1' | C2' | O2' | C3' | 123.6° | 114.7° |
C1' | C2' | O2' | H2' | 118.7° | 122.7° |
C1' | C2' | C3' | H2' | 120.1° | 118.5° |
C1' | C2' | O2' | H1 | 180.0° | 176.2° |
C1' | C2' | C3' | O3' | 95.8° | 118.8° |
C1' | C2' | C3' | H3' | 143.9° | 118.5° |
H1' | C1' | N9 | C4 | 130.1° | 35.7° |
H1' | C1' | N9 | C8 | 50.2° | 144.4° |
H1' | C1' | C2' | O2' | 5.5° | 23.6° |
H1' | C1' | C2' | C3' | 123.9° | 95.1° |
H1' | C1' | C2' | H2' | 116.8° | 146.4° |
N9 | C4 | N3 | C5 | 179.9° | 179.8° |
N9 | C4 | N3 | C2 | 179.9° | 180.0° |
N9 | C4 | C5 | C6 | 179.9° | 179.7° |
N9 | C4 | C5 | N7 | 0.1° | 0.4° |
C4 | N9 | C8 | N7 | 0.1° | 0.1° |
C4 | N9 | C8 | H8 | 179.9° | 179.9° |
C8 | N9 | C4 | N3 | 180.0° | 180.0° |
C8 | N9 | C4 | C5 | 0.1° | 0.2° |
N9 | C8 | N7 | C5 | 0.0° | 0.3° |
N9 | C8 | N7 | H8 | 180.0° | 179.9° |
C4 | N3 | C2 | F | 179.8° | 180.0° |
C4 | N3 | C2 | N1 | 0.0° | 0.1° |
N3 | C4 | C5 | C6 | 0.0° | 0.5° |
N3 | C4 | C5 | N7 | 179.9° | 179.8° |
C5 | C4 | N3 | C2 | 0.0° | 0.2° |
C4 | C5 | C6 | N1 | 0.0° | 0.5° |
C4 | C5 | C6 | N6 | 180.0° | 179.8° |
C4 | C5 | C6 | N7 | 179.9° | 179.1° |
C4 | C5 | N7 | C8 | 0.1° | 0.4° |
N3 | C2 | F | N1 | 179.9° | 180.0° |
N3 | C2 | N1 | C6 | 0.0° | 0.0° |
F | C2 | N1 | C6 | 179.8° | 180.0° |
C2 | N1 | C6 | N6 | 180.0° | 179.9° |
C2 | N1 | C6 | C5 | 0.0° | 0.3° |
N1 | C6 | N6 | C5 | 180.0° | 179.7° |
N1 | C6 | N6 | HN61 | 54.7° | 0.0° |
N1 | C6 | N6 | HN62 | 180.0° | 179.8° |
N1 | C6 | C5 | N7 | 179.9° | 179.6° |
C6 | N6 | HN61 | HN62 | 131.0° | 179.8° |
N6 | C6 | C5 | N7 | 0.1° | 0.7° |
C5 | C6 | N6 | HN61 | 125.2° | 179.7° |
C5 | C6 | N6 | HN62 | 0.0° | 0.6° |
C6 | C5 | N7 | C8 | 180.0° | 179.6° |
C5 | N7 | C8 | H8 | 180.0° | 179.8° |
O2' | C2' | C3' | H2' | 111.1° | 122.6° |
O2' | C2' | C3' | O3' | 33.0° | 0.2° |
O2' | C2' | C3' | H3' | 87.3° | 122.5° |
C3' | C2' | O2' | H1 | 56.4° | 61.4° |
C2' | C3' | O3' | H3' | 122.9° | 122.8° |
C2' | C3' | O3' | H2 | 67.7° | 176.1° |
H2' | C2' | O2' | H1 | 61.3° | 61.1° |
H2' | C2' | C3' | O3' | 144.1° | 122.7° |
H2' | C2' | C3' | H3' | 23.8° | 0.0° |
H3' | C3' | O3' | H2 | 55.2° | 61.1° |