Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C2 | doub | 1.33Å | 1.35Å | Aromatic |
N1 | C6 | sing | 1.33Å | 1.37Å | Aromatic |
C2 | N2 | sing | 1.39Å | 1.35Å | |
C2 | N3 | sing | 1.32Å | 1.35Å | Aromatic |
C4 | C5 | sing | 1.40Å | 1.35Å | Aromatic |
C4 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
C4 | N9 | sing | 1.37Å | 1.38Å | Aromatic |
C5 | C6 | doub | 1.41Å | 1.43Å | Aromatic |
C5 | N7 | sing | 1.36Å | 1.39Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.32Å | |
C8 | N9 | sing | 1.36Å | 1.37Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.33Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
N2 | CH2 | sing | 1.46Å | 1.47Å | |
N2 | H2 | sing | 0.97Å | 1.02Å | |
N9 | C1' | sing | 1.46Å | 1.47Å | |
N6 | H6N1 | sing | 0.97Å | 1.02Å | |
N6 | H6N2 | sing | 0.97Å | 1.02Å | |
P | O1P | doub | 1.48Å | 1.43Å | |
P | O2P | sing | 1.61Å | 1.59Å | |
P | O5' | sing | 1.61Å | 1.60Å | |
P | O3P | sing | 1.61Å | 1.53Å | |
O2P | H2P | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.41Å | |
C5' | C4' | sing | 1.53Å | 1.50Å | |
C5' | H5'1 | sing | 1.09Å | 1.11Å | |
C5' | H5'2 | sing | 1.09Å | 1.11Å | |
C4' | O4' | sing | 1.45Å | 1.40Å | |
C4' | C3' | sing | 1.55Å | 1.55Å | |
C4' | H4' | sing | 1.09Å | 1.12Å | |
O4' | C1' | sing | 1.44Å | 1.47Å | |
C1' | C2' | sing | 1.54Å | 1.48Å | |
C1' | H1' | sing | 1.09Å | 1.11Å | |
C2' | C3' | sing | 1.55Å | 1.50Å | |
C2' | H2'1 | sing | 1.09Å | 1.12Å | |
C2' | H2'2 | sing | 1.09Å | 1.11Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
C3' | H3' | sing | 1.09Å | 1.11Å | |
O3' | HA | sing | 0.97Å | 0.95Å | |
O3P | H3P | sing | 0.97Å | 0.95Å | |
CH2 | HH21 | sing | 1.09Å | 1.11Å | |
CH2 | HH22 | sing | 1.09Å | 1.12Å | |
CH2 | HH23 | sing | 1.09Å | 1.12Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | N1 | C6 | 121.8° | 121.2° |
N1 | C2 | N2 | 115.5° | 118.9° |
N1 | C2 | N3 | 128.8° | 122.2° |
N1 | C6 | C5 | 113.0° | 118.5° |
N1 | C6 | N6 | 122.1° | 120.8° |
N2 | C2 | N3 | 115.7° | 118.9° |
C2 | N2 | CH2 | 110.5° | 120.0° |
C2 | N2 | H2 | 124.7° | 120.0° |
C2 | N3 | C4 | 107.9° | 120.6° |
C5 | C4 | N3 | 129.6° | 119.2° |
C5 | C4 | N9 | 106.6° | 106.0° |
C4 | C5 | C6 | 118.8° | 118.3° |
C4 | C5 | N7 | 110.8° | 107.2° |
N3 | C4 | N9 | 123.7° | 134.8° |
C4 | N9 | C8 | 106.3° | 107.4° |
C4 | N9 | C1' | 123.5° | 126.3° |
C6 | C5 | N7 | 130.3° | 134.6° |
C5 | C6 | N6 | 124.9° | 120.7° |
C5 | N7 | C8 | 103.9° | 109.4° |
C6 | N6 | H6N1 | 122.1° | 120.0° |
C6 | N6 | H6N2 | 124.9° | 120.0° |
N9 | C8 | N7 | 112.2° | 110.0° |
N9 | C8 | H8 | 123.9° | 125.0° |
C8 | N9 | C1' | 130.1° | 126.3° |
N7 | C8 | H8 | 123.9° | 125.0° |
CH2 | N2 | H2 | 124.7° | 120.0° |
N2 | CH2 | HH21 | 110.5° | 109.5° |
N2 | CH2 | HH22 | 111.8° | 109.4° |
N2 | CH2 | HH23 | 111.8° | 109.5° |
N9 | C1' | O4' | 107.8° | 109.9° |
N9 | C1' | C2' | 113.7° | 109.9° |
N9 | C1' | H1' | 109.6° | 109.8° |
H6N1 | N6 | H6N2 | 113.0° | 120.1° |
O1P | P | O2P | 107.9° | 109.5° |
O1P | P | O5' | 111.8° | 109.5° |
O1P | P | O3P | 122.2° | 109.4° |
O2P | P | O5' | 107.1° | 109.5° |
O2P | P | O3P | 105.1° | 109.4° |
P | O2P | H2P | 107.9° | 106.8° |
O5' | P | O3P | 101.8° | 109.5° |
P | O5' | C5' | 121.9° | 106.8° |
P | O3P | H3P | 122.2° | 106.8° |
O5' | C5' | C4' | 108.4° | 109.5° |
O5' | C5' | H5'1 | 112.6° | 109.4° |
O5' | C5' | H5'2 | 112.6° | 109.5° |
C4' | C5' | H5'1 | 112.6° | 109.4° |
C4' | C5' | H5'2 | 112.6° | 109.5° |
C5' | C4' | O4' | 114.6° | 110.8° |
C5' | C4' | C3' | 114.1° | 110.6° |
C5' | C4' | H4' | 107.5° | 110.6° |
H5'1 | C5' | H5'2 | 97.8° | 109.5° |
O4' | C4' | C3' | 105.4° | 103.6° |
O4' | C4' | H4' | 107.5° | 110.5° |
C4' | O4' | C1' | 109.4° | 106.8° |
C3' | C4' | H4' | 107.5° | 110.6° |
C4' | C3' | C2' | 103.2° | 102.1° |
C4' | C3' | O3' | 105.5° | 110.9° |
C4' | C3' | H3' | 110.7° | 110.9° |
O4' | C1' | C2' | 106.5° | 107.5° |
O4' | C1' | H1' | 109.6° | 109.9° |
C2' | C1' | H1' | 109.6° | 109.9° |
C1' | C2' | C3' | 101.7° | 104.2° |
C1' | C2' | H2'1 | 115.2° | 110.5° |
C1' | C2' | H2'2 | 115.2° | 110.5° |
C3' | C2' | H2'1 | 115.2° | 110.5° |
C3' | C2' | H2'2 | 115.1° | 110.5° |
C2' | C3' | O3' | 115.7° | 110.9° |
C2' | C3' | H3' | 110.7° | 110.9° |
H2'1 | C2' | H2'2 | 95.3° | 110.5° |
O3' | C3' | H3' | 110.7° | 110.8° |
C3' | O3' | HA | 115.7° | 106.8° |
HH21 | CH2 | HH22 | 111.8° | 109.5° |
HH21 | CH2 | HH23 | 111.8° | 109.5° |
HH22 | CH2 | HH23 | 98.6° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N1 | C2 | N2 | N3 | 179.5° | 179.7° |
N1 | C2 | N3 | C4 | 2.1° | 0.6° |
C2 | N1 | C6 | C5 | 1.0° | 0.0° |
C2 | N1 | C6 | N6 | 179.0° | 180.0° |
N1 | C2 | N2 | CH2 | 176.4° | 0.0° |
N1 | C2 | N2 | H2 | 3.7° | 179.9° |
C6 | N1 | C2 | N2 | 178.2° | 180.0° |
C6 | N1 | C2 | N3 | 1.3° | 0.3° |
N1 | C6 | C5 | C4 | 1.9° | 0.0° |
N1 | C6 | C5 | N6 | 179.9° | 179.9° |
N1 | C6 | C5 | N7 | 179.2° | 180.0° |
N1 | C6 | N6 | H6N1 | 180.0° | 0.0° |
N1 | C6 | N6 | H6N2 | 0.1° | 180.0° |
N2 | C2 | N3 | C4 | 177.3° | 179.7° |
C2 | N2 | CH2 | H2 | 180.0° | 179.9° |
C2 | N2 | CH2 | HH21 | 180.0° | 60.0° |
C2 | N2 | CH2 | HH22 | 54.7° | 179.9° |
C2 | N2 | CH2 | HH23 | 54.7° | 60.0° |
C2 | N3 | C4 | C5 | 0.9° | 0.6° |
C2 | N3 | C4 | N9 | 179.2° | 179.7° |
N3 | C2 | N2 | CH2 | 4.1° | 179.7° |
N3 | C2 | N2 | H2 | 175.9° | 0.2° |
C5 | C4 | N3 | N9 | 179.9° | 179.7° |
C4 | C5 | C6 | N7 | 177.3° | 179.9° |
C4 | C5 | C6 | N6 | 178.0° | 180.0° |
C5 | C4 | N9 | C8 | 1.1° | 0.0° |
C4 | C5 | N7 | C8 | 0.7° | 0.0° |
C5 | C4 | N9 | C1' | 176.7° | 180.0° |
N3 | C4 | C5 | C6 | 1.1° | 0.3° |
N3 | C4 | C5 | N7 | 178.8° | 179.8° |
N3 | C4 | N9 | C8 | 178.9° | 179.7° |
N3 | C4 | N9 | C1' | 3.4° | 0.3° |
N9 | C4 | C5 | C6 | 178.9° | 179.9° |
N9 | C4 | C5 | N7 | 1.1° | 0.0° |
C4 | N9 | C8 | C1' | 177.5° | 180.0° |
C4 | N9 | C8 | N7 | 0.7° | 0.0° |
C4 | N9 | C8 | H8 | 179.3° | 180.0° |
C4 | N9 | C1' | O4' | 99.7° | 156.7° |
C4 | N9 | C1' | C2' | 142.5° | 85.3° |
C4 | N9 | C1' | H1' | 19.5° | 35.7° |
C6 | C5 | N7 | C8 | 178.1° | 179.9° |
C5 | C6 | N6 | H6N1 | 0.1° | 179.9° |
C5 | C6 | N6 | H6N2 | 180.0° | 0.1° |
N7 | C5 | C6 | N6 | 0.7° | 0.1° |
C5 | N7 | C8 | N9 | 0.0° | 0.0° |
C5 | N7 | C8 | H8 | 180.0° | 180.0° |
C6 | N6 | H6N1 | H6N2 | 179.9° | 180.0° |
N9 | C8 | N7 | H8 | 180.0° | 180.0° |
C8 | N9 | C1' | O4' | 77.4° | 23.3° |
C8 | N9 | C1' | C2' | 40.3° | 94.7° |
C8 | N9 | C1' | H1' | 163.4° | 144.3° |
N7 | C8 | N9 | C1' | 176.9° | 180.0° |
H8 | C8 | N9 | C1' | 3.1° | 0.0° |
N2 | CH2 | HH21 | HH22 | 125.3° | 120.0° |
N2 | CH2 | HH21 | HH23 | 125.3° | 120.0° |
N2 | CH2 | HH22 | HH23 | 117.7° | 119.9° |
H2 | N2 | CH2 | HH21 | 0.0° | 120.1° |
H2 | N2 | CH2 | HH22 | 125.2° | 0.0° |
H2 | N2 | CH2 | HH23 | 125.3° | 119.9° |
N9 | C1' | O4' | C4' | 138.9° | 145.8° |
N9 | C1' | O4' | C2' | 122.4° | 119.5° |
N9 | C1' | O4' | H1' | 119.2° | 120.9° |
N9 | C1' | C2' | H1' | 123.0° | 121.0° |
N9 | C1' | C2' | C3' | 151.6° | 121.4° |
N9 | C1' | C2' | H2'1 | 26.3° | 119.9° |
N9 | C1' | C2' | H2'2 | 83.2° | 2.8° |
O1P | P | O2P | O5' | 120.5° | 120.1° |
O1P | P | O2P | O3P | 131.8° | 120.0° |
O1P | P | O5' | O3P | 131.9° | 120.0° |
O1P | P | O2P | H2P | 180.0° | 180.0° |
O1P | P | O5' | C5' | 174.7° | 55.1° |
O1P | P | O3P | H3P | 180.0° | 60.0° |
O2P | P | O5' | O3P | 110.0° | 120.0° |
O2P | P | O5' | C5' | 67.2° | 65.0° |
O2P | P | O3P | H3P | 56.9° | 60.0° |
O5' | P | O2P | H2P | 59.5° | 59.9° |
P | O5' | C5' | C4' | 167.9° | 180.0° |
P | O5' | C5' | H5'1 | 66.8° | 60.1° |
P | O5' | C5' | H5'2 | 42.6° | 60.0° |
O5' | P | O3P | H3P | 54.7° | 180.0° |
O3P | P | O2P | H2P | 48.2° | 60.0° |
O3P | P | O5' | C5' | 42.8° | 175.0° |
O5' | C5' | C4' | H5'1 | 125.3° | 119.9° |
O5' | C5' | C4' | H5'2 | 125.3° | 120.1° |
O5' | C5' | H5'1 | H5'2 | 118.5° | 120.0° |
O5' | C5' | C4' | O4' | 77.5° | 70.7° |
O5' | C5' | C4' | C3' | 44.1° | 175.0° |
O5' | C5' | C4' | H4' | 163.1° | 52.1° |
C4' | C5' | H5'1 | H5'2 | 118.5° | 120.0° |
C5' | C4' | O4' | C3' | 126.2° | 118.7° |
C5' | C4' | O4' | H4' | 119.3° | 122.8° |
C5' | C4' | C3' | H4' | 119.0° | 122.9° |
C5' | C4' | O4' | C1' | 119.3° | 158.5° |
C5' | C4' | C3' | C2' | 99.2° | 155.7° |
C5' | C4' | C3' | O3' | 139.0° | 86.1° |
C5' | C4' | C3' | H3' | 19.2° | 37.5° |
H5'1 | C5' | C4' | O4' | 47.7° | 169.4° |
H5'1 | C5' | C4' | C3' | 169.4° | 55.0° |
H5'1 | C5' | C4' | H4' | 71.6° | 67.9° |
H5'2 | C5' | C4' | O4' | 157.2° | 49.3° |
H5'2 | C5' | C4' | C3' | 81.2° | 65.0° |
H5'2 | C5' | C4' | H4' | 37.9° | 172.1° |
O4' | C4' | C3' | H4' | 114.4° | 118.4° |
C4' | O4' | C1' | C2' | 16.5° | 26.3° |
C4' | O4' | C1' | H1' | 101.9° | 93.2° |
O4' | C4' | C3' | C2' | 27.3° | 36.9° |
O4' | C4' | C3' | O3' | 94.5° | 155.2° |
O4' | C4' | C3' | H3' | 145.8° | 81.2° |
C3' | C4' | O4' | C1' | 6.9° | 39.8° |
C4' | C3' | C2' | C1' | 36.2° | 20.9° |
C4' | C3' | C2' | O3' | 114.6° | 118.2° |
C4' | C3' | C2' | H3' | 118.4° | 118.2° |
C4' | C3' | C2' | H2'1 | 89.1° | 97.8° |
C4' | C3' | C2' | H2'2 | 161.5° | 139.6° |
C4' | C3' | O3' | H3' | 119.7° | 123.7° |
C4' | C3' | O3' | HA | 66.7° | 174.1° |
H4' | C4' | O4' | C1' | 121.3° | 78.7° |
H4' | C4' | C3' | C2' | 141.8° | 81.4° |
H4' | C4' | C3' | O3' | 20.0° | 36.8° |
H4' | C4' | C3' | H3' | 99.8° | 160.4° |
O4' | C1' | C2' | H1' | 118.4° | 119.5° |
O4' | C1' | C2' | C3' | 33.0° | 1.9° |
O4' | C1' | C2' | H2'1 | 92.3° | 120.6° |
O4' | C1' | C2' | H2'2 | 158.3° | 116.7° |
C1' | C2' | C3' | H2'1 | 125.3° | 118.7° |
C1' | C2' | C3' | H2'2 | 125.3° | 118.7° |
C1' | C2' | H2'1 | H2'2 | 121.0° | 122.6° |
C1' | C2' | C3' | O3' | 78.4° | 139.1° |
C1' | C2' | C3' | H3' | 154.7° | 97.3° |
H1' | C1' | C2' | C3' | 85.4° | 117.6° |
H1' | C1' | C2' | H2'1 | 149.3° | 1.1° |
H1' | C1' | C2' | H2'2 | 39.8° | 123.8° |
C3' | C2' | H2'1 | H2'2 | 121.0° | 122.6° |
C2' | C3' | O3' | H3' | 126.9° | 123.6° |
C2' | C3' | O3' | HA | 180.0° | 61.4° |
H2'1 | C2' | C3' | O3' | 156.3° | 20.4° |
H2'1 | C2' | C3' | H3' | 29.4° | 144.0° |
H2'2 | C2' | C3' | O3' | 46.8° | 102.2° |
H2'2 | C2' | C3' | H3' | 80.1° | 21.4° |
H3' | C3' | O3' | HA | 53.1° | 62.2° |
HH21 | CH2 | HH22 | HH23 | 117.7° | 120.0° |