G31
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3P | P | doub | 1.48Å | 1.41Å | |
P | O1P | sing | 1.61Å | 1.46Å | |
P | O2P | sing | 1.61Å | 1.63Å | |
P | O5' | sing | 1.61Å | 1.62Å | |
O1P | H1P | sing | 0.97Å | 0.95Å | |
O2P | H2P | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.45Å | |
C5' | C4' | sing | 1.53Å | 1.54Å | |
C5' | H5'1 | sing | 1.09Å | 1.12Å | |
C5' | H5'2 | sing | 1.09Å | 1.11Å | |
C4' | O4' | sing | 1.45Å | 1.40Å | |
C4' | C3' | sing | 1.54Å | 1.51Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
O4' | C1' | sing | 1.44Å | 1.44Å | |
C3' | C2' | sing | 1.54Å | 1.51Å | |
C3' | C3M | sing | 1.53Å | 1.53Å | |
C3' | H3' | sing | 1.09Å | 1.11Å | |
C2' | C1' | sing | 1.54Å | 1.50Å | |
C2' | H2'1 | sing | 1.09Å | 1.12Å | |
C2' | H2'2 | sing | 1.09Å | 1.12Å | |
C1' | N9 | sing | 1.46Å | 1.47Å | |
C1' | H1' | sing | 1.09Å | 1.11Å | |
N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
N7 | C5 | sing | 1.36Å | 1.39Å | Aromatic |
C5 | C6 | sing | 1.41Å | 1.41Å | |
C5 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
C6 | O6 | doub | 1.22Å | 1.23Å | |
C6 | N1 | sing | 1.35Å | 1.38Å | |
N1 | C2 | sing | 1.36Å | 1.36Å | |
N1 | H1 | sing | 0.97Å | 1.02Å | |
C2 | N2 | sing | 1.37Å | 1.35Å | |
C2 | N3 | doub | 1.31Å | 1.34Å | |
N2 | H2N1 | sing | 0.97Å | 1.02Å | |
N2 | H2N2 | sing | 0.97Å | 1.02Å | |
N3 | C4 | sing | 1.34Å | 1.35Å | |
C3M | H3M1 | sing | 1.09Å | 1.12Å | |
C3M | H3M2 | sing | 1.09Å | 1.12Å | |
C3M | H3M3 | sing | 1.09Å | 1.11Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3P | P | O1P | 127.6° | 109.5° |
O3P | P | O2P | 105.7° | 109.5° |
O3P | P | O5' | 108.1° | 109.5° |
O1P | P | O2P | 102.9° | 109.4° |
O1P | P | O5' | 108.6° | 109.4° |
P | O1P | H1P | 127.5° | 106.8° |
O2P | P | O5' | 100.6° | 109.5° |
P | O2P | H2P | 105.7° | 106.8° |
P | O5' | C5' | 122.8° | 106.8° |
O5' | C5' | C4' | 103.8° | 109.5° |
O5' | C5' | H5'1 | 114.3° | 109.4° |
O5' | C5' | H5'2 | 114.3° | 109.5° |
C4' | C5' | H5'1 | 114.4° | 109.4° |
C4' | C5' | H5'2 | 114.3° | 109.5° |
C5' | C4' | O4' | 109.5° | 110.3° |
C5' | C4' | C3' | 111.9° | 110.7° |
C5' | C4' | H4' | 109.5° | 110.3° |
H5'1 | C5' | H5'2 | 96.2° | 109.5° |
O4' | C4' | C3' | 106.9° | 104.7° |
O4' | C4' | H4' | 109.5° | 110.3° |
C4' | O4' | C1' | 111.6° | 105.4° |
C3' | C4' | H4' | 109.5° | 110.3° |
C4' | C3' | C2' | 104.2° | 104.2° |
C4' | C3' | C3M | 108.7° | 110.5° |
C4' | C3' | H3' | 109.4° | 110.4° |
O4' | C1' | C2' | 105.7° | 104.8° |
O4' | C1' | N9 | 112.7° | 110.5° |
O4' | C1' | H1' | 109.7° | 110.4° |
C2' | C3' | C3M | 115.6° | 110.5° |
C2' | C3' | H3' | 109.4° | 110.5° |
C3' | C2' | C1' | 103.9° | 104.1° |
C3' | C2' | H2'1 | 114.3° | 110.6° |
C3' | C2' | H2'2 | 114.3° | 110.5° |
C3M | C3' | H3' | 109.4° | 110.5° |
C3' | C3M | H3M1 | 108.8° | 109.4° |
C3' | C3M | H3M2 | 112.5° | 109.5° |
C3' | C3M | H3M3 | 112.5° | 109.5° |
C1' | C2' | H2'1 | 114.3° | 110.5° |
C1' | C2' | H2'2 | 114.3° | 110.5° |
C2' | C1' | N9 | 109.3° | 110.4° |
C2' | C1' | H1' | 109.7° | 110.3° |
H2'1 | C2' | H2'2 | 96.2° | 110.6° |
N9 | C1' | H1' | 109.7° | 110.3° |
C1' | N9 | C8 | 129.4° | 126.2° |
C1' | N9 | C4 | 124.2° | 126.3° |
C8 | N9 | C4 | 106.1° | 107.5° |
N9 | C8 | N7 | 113.7° | 109.8° |
N9 | C8 | H8 | 123.2° | 125.1° |
N9 | C4 | C5 | 105.8° | 106.1° |
N9 | C4 | N3 | 125.3° | 134.2° |
N7 | C8 | H8 | 123.1° | 125.1° |
C8 | N7 | C5 | 103.6° | 109.3° |
N7 | C5 | C6 | 131.7° | 134.2° |
N7 | C5 | C4 | 110.5° | 107.2° |
C6 | C5 | C4 | 117.6° | 118.6° |
C5 | C6 | O6 | 128.5° | 120.9° |
C5 | C6 | N1 | 115.4° | 118.4° |
C5 | C4 | N3 | 128.8° | 119.7° |
O6 | C6 | N1 | 116.1° | 120.8° |
C6 | N1 | C2 | 119.8° | 120.3° |
C6 | N1 | H1 | 120.1° | 119.9° |
C2 | N1 | H1 | 120.1° | 119.8° |
N1 | C2 | N2 | 113.2° | 119.0° |
N1 | C2 | N3 | 128.8° | 122.0° |
N2 | C2 | N3 | 118.0° | 119.0° |
C2 | N2 | H2N1 | 113.2° | 120.0° |
C2 | N2 | H2N2 | 118.0° | 120.0° |
C2 | N3 | C4 | 109.4° | 121.1° |
H2N1 | N2 | H2N2 | 128.8° | 120.0° |
H3M1 | C3M | H3M2 | 112.4° | 109.5° |
H3M1 | C3M | H3M3 | 112.5° | 109.4° |
H3M2 | C3M | H3M3 | 97.9° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3P | P | O1P | O2P | 121.7° | 120.0° |
O3P | P | O1P | O5' | 132.2° | 120.0° |
O3P | P | O2P | O5' | 112.4° | 120.1° |
O3P | P | O1P | H1P | 180.0° | 60.0° |
O3P | P | O2P | H2P | 180.0° | 180.0° |
O3P | P | O5' | C5' | 40.4° | 60.0° |
O1P | P | O2P | O5' | 112.1° | 119.9° |
O1P | P | O2P | H2P | 44.5° | 60.0° |
O1P | P | O5' | C5' | 101.5° | 180.0° |
O2P | P | O1P | H1P | 58.3° | 60.0° |
O2P | P | O5' | C5' | 151.0° | 60.1° |
O5' | P | O1P | H1P | 47.8° | 180.0° |
O5' | P | O2P | H2P | 67.6° | 59.9° |
P | O5' | C5' | C4' | 176.6° | 180.0° |
P | O5' | C5' | H5'1 | 58.2° | 60.1° |
P | O5' | C5' | H5'2 | 51.3° | 59.9° |
O5' | C5' | C4' | H5'1 | 125.2° | 119.9° |
O5' | C5' | C4' | H5'2 | 125.3° | 120.1° |
O5' | C5' | H5'1 | H5'2 | 120.2° | 120.0° |
O5' | C5' | C4' | O4' | 62.2° | 61.5° |
O5' | C5' | C4' | C3' | 179.4° | 176.9° |
O5' | C5' | C4' | H4' | 57.8° | 60.7° |
C4' | C5' | H5'1 | H5'2 | 120.2° | 120.0° |
C5' | C4' | O4' | C3' | 121.5° | 119.2° |
C5' | C4' | O4' | H4' | 120.0° | 122.2° |
C5' | C4' | C3' | H4' | 121.6° | 122.4° |
C5' | C4' | O4' | C1' | 126.4° | 159.5° |
C5' | C4' | C3' | C2' | 140.4° | 142.7° |
C5' | C4' | C3' | C3M | 95.8° | 98.6° |
C5' | C4' | C3' | H3' | 23.6° | 24.0° |
H5'1 | C5' | C4' | O4' | 172.6° | 178.6° |
H5'1 | C5' | C4' | C3' | 54.2° | 63.2° |
H5'1 | C5' | C4' | H4' | 67.4° | 59.3° |
H5'2 | C5' | C4' | O4' | 63.1° | 58.6° |
H5'2 | C5' | C4' | C3' | 55.3° | 56.8° |
H5'2 | C5' | C4' | H4' | 176.9° | 179.3° |
O4' | C4' | C3' | H4' | 118.5° | 118.7° |
O4' | C4' | C3' | C2' | 20.5° | 23.8° |
O4' | C4' | C3' | C3M | 144.3° | 142.5° |
O4' | C4' | C3' | H3' | 96.3° | 94.9° |
C4' | O4' | C1' | C2' | 12.8° | 40.4° |
C4' | O4' | C1' | N9 | 106.5° | 159.3° |
C4' | O4' | C1' | H1' | 131.0° | 78.4° |
C3' | C4' | O4' | C1' | 5.0° | 40.3° |
C4' | C3' | C2' | C3M | 119.2° | 118.7° |
C4' | C3' | C2' | H3' | 116.8° | 118.7° |
C4' | C3' | C3M | H3' | 119.4° | 122.5° |
C4' | C3' | C2' | C1' | 27.4° | 0.1° |
C4' | C3' | C2' | H2'1 | 97.8° | 118.6° |
C4' | C3' | C2' | H2'2 | 152.7° | 118.7° |
C4' | C3' | C3M | H3M1 | 180.0° | 178.1° |
C4' | C3' | C3M | H3M2 | 54.7° | 61.9° |
C4' | C3' | C3M | H3M3 | 54.7° | 58.2° |
H4' | C4' | O4' | C1' | 113.5° | 78.3° |
H4' | C4' | C3' | C2' | 98.0° | 94.9° |
H4' | C4' | C3' | C3M | 25.8° | 23.9° |
H4' | C4' | C3' | H3' | 145.2° | 146.4° |
O4' | C1' | C2' | C3' | 24.9° | 24.0° |
O4' | C1' | C2' | N9 | 121.6° | 119.0° |
O4' | C1' | C2' | H1' | 118.2° | 118.8° |
O4' | C1' | C2' | H2'1 | 100.4° | 94.7° |
O4' | C1' | C2' | H2'2 | 150.2° | 142.6° |
O4' | C1' | N9 | H1' | 122.5° | 122.3° |
O4' | C1' | N9 | C8 | 2.7° | 25.5° |
O4' | C1' | N9 | C4 | 171.5° | 154.9° |
C2' | C3' | C3M | H3' | 123.9° | 122.7° |
C3' | C2' | C1' | H2'1 | 125.3° | 118.7° |
C3' | C2' | C1' | H2'2 | 125.3° | 118.6° |
C3' | C2' | H2'1 | H2'2 | 120.3° | 122.7° |
C3' | C2' | C1' | N9 | 96.7° | 143.0° |
C3' | C2' | C1' | H1' | 143.1° | 94.8° |
C2' | C3' | C3M | H3M1 | 63.3° | 63.3° |
C2' | C3' | C3M | H3M2 | 61.9° | 176.7° |
C2' | C3' | C3M | H3M3 | 171.4° | 56.6° |
C3M | C3' | C2' | C1' | 146.7° | 118.6° |
C3M | C3' | C2' | H2'1 | 21.4° | 122.7° |
C3M | C3' | C2' | H2'2 | 88.1° | 0.0° |
C3' | C3M | H3M1 | H3M2 | 125.3° | 120.0° |
C3' | C3M | H3M1 | H3M3 | 125.3° | 120.0° |
C3' | C3M | H3M2 | H3M3 | 118.4° | 120.1° |
H3' | C3' | C2' | C1' | 89.4° | 118.7° |
H3' | C3' | C2' | H2'1 | 145.4° | 0.1° |
H3' | C3' | C2' | H2'2 | 35.9° | 122.6° |
H3' | C3' | C3M | H3M1 | 60.6° | 59.3° |
H3' | C3' | C3M | H3M2 | 174.1° | 60.6° |
H3' | C3' | C3M | H3M3 | 64.7° | 179.3° |
C1' | C2' | H2'1 | H2'2 | 120.2° | 122.6° |
C2' | C1' | N9 | H1' | 120.3° | 122.2° |
C2' | C1' | N9 | C8 | 114.5° | 90.0° |
C2' | C1' | N9 | C4 | 71.3° | 89.7° |
H2'1 | C2' | C1' | N9 | 138.1° | 24.3° |
H2'1 | C2' | C1' | H1' | 17.8° | 146.5° |
H2'2 | C2' | C1' | N9 | 28.6° | 98.4° |
H2'2 | C2' | C1' | H1' | 91.7° | 23.8° |
C1' | N9 | C8 | C4 | 175.1° | 179.7° |
C1' | N9 | C8 | N7 | 179.8° | 180.0° |
C1' | N9 | C8 | H8 | 0.2° | 0.0° |
C1' | N9 | C4 | C5 | 180.0° | 179.9° |
C1' | N9 | C4 | N3 | 2.9° | 0.8° |
H1' | C1' | N9 | C8 | 125.2° | 147.8° |
H1' | C1' | N9 | C4 | 49.0° | 32.5° |
N9 | C8 | N7 | H8 | 180.0° | 180.0° |
N9 | C8 | N7 | C5 | 2.7° | 0.0° |
C8 | N9 | C4 | C5 | 4.6° | 0.4° |
C8 | N9 | C4 | N3 | 178.3° | 179.5° |
C4 | N9 | C8 | N7 | 4.8° | 0.3° |
C4 | N9 | C8 | H8 | 175.2° | 179.7° |
N9 | C4 | C5 | N7 | 3.2° | 0.4° |
N9 | C4 | C5 | C6 | 178.9° | 179.8° |
N9 | C4 | C5 | N3 | 177.0° | 179.2° |
N9 | C4 | N3 | C2 | 178.9° | 179.5° |
C8 | N7 | C5 | C6 | 175.3° | 179.9° |
C8 | N7 | C5 | C4 | 0.4° | 0.3° |
H8 | C8 | N7 | C5 | 177.3° | 180.0° |
N7 | C5 | C6 | C4 | 174.6° | 179.6° |
N7 | C5 | C6 | O6 | 4.7° | 0.0° |
N7 | C5 | C6 | N1 | 178.0° | 179.9° |
N7 | C5 | C4 | N3 | 179.8° | 179.7° |
C5 | C6 | O6 | N1 | 177.3° | 180.0° |
C5 | C6 | N1 | C2 | 1.9° | 0.0° |
C5 | C6 | N1 | H1 | 178.2° | 179.9° |
C6 | C5 | C4 | N3 | 4.1° | 0.6° |
C4 | C5 | C6 | O6 | 179.3° | 179.7° |
C4 | C5 | C6 | N1 | 3.4° | 0.3° |
C5 | C4 | N3 | C2 | 2.5° | 0.6° |
O6 | C6 | N1 | C2 | 179.5° | 180.0° |
O6 | C6 | N1 | H1 | 0.5° | 0.1° |
C6 | N1 | C2 | H1 | 180.0° | 179.9° |
C6 | N1 | C2 | N2 | 177.8° | 180.0° |
C6 | N1 | C2 | N3 | 0.5° | 0.1° |
N1 | C2 | N2 | N3 | 178.4° | 180.0° |
N1 | C2 | N2 | H2N1 | 180.0° | 179.9° |
N1 | C2 | N2 | H2N2 | 1.6° | 0.0° |
N1 | C2 | N3 | C4 | 0.6° | 0.3° |
H1 | N1 | C2 | N2 | 2.2° | 0.1° |
H1 | N1 | C2 | N3 | 179.6° | 180.0° |
C2 | N2 | H2N1 | H2N2 | 178.2° | 180.0° |
N2 | C2 | N3 | C4 | 177.6° | 179.7° |
N3 | C2 | N2 | H2N1 | 1.6° | 0.0° |
N3 | C2 | N2 | H2N2 | 180.0° | 180.0° |
H3M1 | C3M | H3M2 | H3M3 | 118.3° | 120.0° |