DG3
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
PG | O1G | doub | 1.48Å | 1.48Å | |
PG | O2G | sing | 1.61Å | 1.48Å | |
PG | O3G | sing | 1.61Å | 1.61Å | |
PG | O3B | sing | 1.61Å | 1.62Å | |
O2G | HOG2 | sing | 0.97Å | 0.95Å | |
O3G | HOG3 | sing | 0.97Å | 0.95Å | |
O3B | PB | sing | 1.61Å | 1.61Å | |
PB | O1B | doub | 1.48Å | 1.48Å | |
PB | O2B | sing | 1.61Å | 1.48Å | |
PB | O3A | sing | 1.61Å | 1.62Å | |
O2B | HOB2 | sing | 0.97Å | 0.95Å | |
O3A | PA | sing | 1.61Å | 1.61Å | |
PA | O1A | doub | 1.48Å | 1.48Å | |
PA | O2A | sing | 1.61Å | 1.48Å | |
PA | O5' | sing | 1.61Å | 1.59Å | |
O2A | HOA2 | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.44Å | |
C5' | C4' | sing | 1.53Å | 1.51Å | |
C5' | H5'1 | sing | 1.09Å | 1.12Å | |
C5' | H5'2 | sing | 1.09Å | 1.11Å | |
C4' | O4' | sing | 1.45Å | 1.45Å | |
C4' | C3' | sing | 1.55Å | 1.52Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
O4' | C1' | sing | 1.44Å | 1.42Å | |
C3' | C2' | sing | 1.55Å | 1.52Å | |
C3' | H3'1 | sing | 1.09Å | 1.12Å | |
C3' | H3'2 | sing | 1.09Å | 1.12Å | |
C2' | C1' | sing | 1.54Å | 1.53Å | |
C2' | H2'1 | sing | 1.09Å | 1.12Å | |
C2' | H2'2 | sing | 1.09Å | 1.11Å | |
C1' | N9 | sing | 1.46Å | 1.46Å | |
C1' | H1' | sing | 1.09Å | 1.11Å | |
N9 | C8 | sing | 1.37Å | 1.38Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
N7 | C5 | sing | 1.36Å | 1.39Å | Aromatic |
C5 | C6 | sing | 1.41Å | 1.42Å | |
C5 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
C6 | O6 | doub | 1.22Å | 1.24Å | |
C6 | N1 | sing | 1.35Å | 1.39Å | |
N1 | C2 | sing | 1.36Å | 1.37Å | |
N1 | HN1 | sing | 0.97Å | 1.02Å | |
C2 | N2 | sing | 1.37Å | 1.34Å | |
C2 | N3 | doub | 1.31Å | 1.32Å | |
N2 | HN21 | sing | 0.97Å | 1.02Å | |
N2 | HN22 | sing | 0.97Å | 1.02Å | |
N3 | C4 | sing | 1.34Å | 1.35Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1G | PG | O2G | 119.6° | 109.5° |
O1G | PG | O3G | 107.4° | 109.5° |
O1G | PG | O3B | 109.8° | 109.4° |
O2G | PG | O3G | 104.2° | 109.5° |
O2G | PG | O3B | 110.7° | 109.5° |
PG | O2G | HOG2 | 119.6° | 106.8° |
O3G | PG | O3B | 103.7° | 109.4° |
PG | O3G | HOG3 | 107.4° | 106.9° |
PG | O3B | PB | 135.7° | 106.8° |
O3B | PB | O1B | 101.6° | 109.4° |
O3B | PB | O2B | 107.4° | 109.4° |
O3B | PB | O3A | 106.7° | 109.5° |
O1B | PB | O2B | 119.4° | 109.5° |
O1B | PB | O3A | 109.2° | 109.5° |
O2B | PB | O3A | 111.3° | 109.5° |
PB | O2B | HOB2 | 107.4° | 106.8° |
PB | O3A | PA | 135.4° | 106.8° |
O3A | PA | O1A | 107.6° | 109.5° |
O3A | PA | O2A | 110.7° | 109.5° |
O3A | PA | O5' | 96.9° | 109.5° |
O1A | PA | O2A | 119.8° | 109.5° |
O1A | PA | O5' | 109.4° | 109.5° |
O2A | PA | O5' | 109.9° | 109.5° |
PA | O2A | HOA2 | 110.8° | 106.8° |
PA | O5' | C5' | 121.3° | 106.8° |
O5' | C5' | C4' | 110.4° | 109.5° |
O5' | C5' | H5'1 | 111.8° | 109.6° |
O5' | C5' | H5'2 | 111.9° | 109.4° |
C4' | C5' | H5'1 | 111.9° | 109.4° |
C4' | C5' | H5'2 | 111.9° | 109.4° |
C5' | C4' | O4' | 109.4° | 110.8° |
C5' | C4' | C3' | 116.0° | 110.6° |
C5' | C4' | H4' | 103.6° | 110.5° |
H5'1 | C5' | H5'2 | 98.5° | 109.5° |
O4' | C4' | C3' | 104.7° | 103.6° |
O4' | C4' | H4' | 115.2° | 110.6° |
C4' | O4' | C1' | 109.6° | 106.9° |
C3' | C4' | H4' | 108.4° | 110.6° |
C4' | C3' | C2' | 102.2° | 102.1° |
C4' | C3' | H3'1 | 115.0° | 110.9° |
C4' | C3' | H3'2 | 115.0° | 110.9° |
O4' | C1' | C2' | 107.6° | 107.4° |
O4' | C1' | N9 | 108.7° | 109.9° |
O4' | C1' | H1' | 112.4° | 109.9° |
C2' | C3' | H3'1 | 115.0° | 110.9° |
C2' | C3' | H3'2 | 115.0° | 110.9° |
C3' | C2' | C1' | 101.7° | 104.2° |
C3' | C2' | H2'1 | 115.2° | 110.5° |
C3' | C2' | H2'2 | 115.2° | 110.5° |
H3'1 | C3' | H3'2 | 95.4° | 110.8° |
C1' | C2' | H2'1 | 115.2° | 110.6° |
C1' | C2' | H2'2 | 115.2° | 110.4° |
C2' | C1' | N9 | 112.7° | 110.0° |
C2' | C1' | H1' | 108.4° | 109.9° |
H2'1 | C2' | H2'2 | 95.3° | 110.5° |
N9 | C1' | H1' | 107.2° | 109.8° |
C1' | N9 | C8 | 127.6° | 126.2° |
C1' | N9 | C4 | 126.0° | 126.3° |
C8 | N9 | C4 | 106.4° | 107.5° |
N9 | C8 | N7 | 113.1° | 109.8° |
N9 | C8 | H8 | 125.8° | 125.1° |
N9 | C4 | C5 | 105.4° | 106.1° |
N9 | C4 | N3 | 125.9° | 134.2° |
N7 | C8 | H8 | 121.2° | 125.1° |
C8 | N7 | C5 | 104.3° | 109.3° |
N7 | C5 | C6 | 130.4° | 134.1° |
N7 | C5 | C4 | 110.8° | 107.3° |
C6 | C5 | C4 | 118.7° | 118.6° |
C5 | C6 | O6 | 128.5° | 120.9° |
C5 | C6 | N1 | 111.5° | 118.3° |
C5 | C4 | N3 | 128.7° | 119.7° |
O6 | C6 | N1 | 120.0° | 120.8° |
C6 | N1 | C2 | 125.2° | 120.3° |
C6 | N1 | HN1 | 118.1° | 119.8° |
C2 | N1 | HN1 | 116.7° | 119.9° |
N1 | C2 | N2 | 116.4° | 119.0° |
N1 | C2 | N3 | 123.9° | 121.9° |
N2 | C2 | N3 | 119.7° | 119.1° |
C2 | N2 | HN21 | 116.4° | 119.9° |
C2 | N2 | HN22 | 109.6° | 120.1° |
C2 | N3 | C4 | 112.0° | 121.2° |
HN21 | N2 | HN22 | 109.7° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1G | PG | O2G | O3G | 119.9° | 120.1° |
O1G | PG | O2G | O3B | 129.2° | 120.0° |
O1G | PG | O3G | O3B | 116.2° | 120.0° |
O1G | PG | O2G | HOG2 | 180.0° | 60.1° |
O1G | PG | O3G | HOG3 | 179.9° | 180.0° |
O1G | PG | O3B | PB | 67.1° | 60.0° |
O2G | PG | O3G | O3B | 116.0° | 120.0° |
O2G | PG | O3G | HOG3 | 52.2° | 59.9° |
O2G | PG | O3B | PB | 67.1° | 180.0° |
O3G | PG | O2G | HOG2 | 60.1° | 60.0° |
O3G | PG | O3B | PB | 178.4° | 60.0° |
O3B | PG | O2G | HOG2 | 50.9° | 180.0° |
O3B | PG | O3G | HOG3 | 63.8° | 60.1° |
PG | O3B | PB | O1B | 174.3° | 60.0° |
PG | O3B | PB | O2B | 59.6° | 60.0° |
PG | O3B | PB | O3A | 59.9° | 180.0° |
O3B | PB | O1B | O2B | 117.8° | 119.9° |
O3B | PB | O1B | O3A | 112.5° | 120.0° |
O3B | PB | O2B | O3A | 116.5° | 120.0° |
O3B | PB | O2B | HOB2 | 180.0° | 60.1° |
O3B | PB | O3A | PA | 118.8° | 180.0° |
O1B | PB | O2B | O3A | 128.8° | 120.1° |
O1B | PB | O2B | HOB2 | 65.2° | 180.0° |
O1B | PB | O3A | PA | 132.1° | 60.1° |
O2B | PB | O3A | PA | 1.9° | 60.0° |
O3A | PB | O2B | HOB2 | 63.5° | 59.9° |
PB | O3A | PA | O1A | 164.2° | 60.0° |
PB | O3A | PA | O2A | 31.5° | 60.0° |
PB | O3A | PA | O5' | 82.9° | 180.0° |
O3A | PA | O1A | O2A | 127.6° | 120.0° |
O3A | PA | O1A | O5' | 104.2° | 120.0° |
O3A | PA | O2A | O5' | 105.9° | 120.0° |
O3A | PA | O2A | HOA2 | 179.9° | 60.0° |
O3A | PA | O5' | C5' | 91.4° | 180.0° |
O1A | PA | O2A | O5' | 127.9° | 120.0° |
O1A | PA | O2A | HOA2 | 53.8° | 180.0° |
O1A | PA | O5' | C5' | 157.2° | 60.0° |
O2A | PA | O5' | C5' | 23.7° | 60.0° |
O5' | PA | O2A | HOA2 | 74.1° | 60.0° |
PA | O5' | C5' | C4' | 137.2° | 180.0° |
PA | O5' | C5' | H5'1 | 12.0° | 60.0° |
PA | O5' | C5' | H5'2 | 97.5° | 60.0° |
O5' | C5' | C4' | H5'1 | 125.2° | 120.1° |
O5' | C5' | C4' | H5'2 | 125.3° | 119.9° |
O5' | C5' | H5'1 | H5'2 | 117.7° | 120.0° |
O5' | C5' | C4' | O4' | 61.9° | 65.7° |
O5' | C5' | C4' | C3' | 56.1° | 180.0° |
O5' | C5' | C4' | H4' | 174.8° | 57.2° |
C4' | C5' | H5'1 | H5'2 | 117.9° | 119.9° |
C5' | C4' | O4' | C3' | 124.9° | 118.7° |
C5' | C4' | O4' | H4' | 116.2° | 122.8° |
C5' | C4' | C3' | H4' | 116.0° | 122.8° |
C5' | C4' | O4' | C1' | 145.1° | 158.6° |
C5' | C4' | C3' | C2' | 155.9° | 155.7° |
C5' | C4' | C3' | H3'1 | 30.6° | 86.1° |
C5' | C4' | C3' | H3'2 | 78.8° | 37.5° |
H5'1 | C5' | C4' | O4' | 172.9° | 174.2° |
H5'1 | C5' | C4' | C3' | 69.1° | 59.9° |
H5'1 | C5' | C4' | H4' | 49.6° | 62.9° |
H5'2 | C5' | C4' | O4' | 63.4° | 54.2° |
H5'2 | C5' | C4' | C3' | 178.6° | 60.0° |
H5'2 | C5' | C4' | H4' | 59.9° | 177.1° |
O4' | C4' | C3' | H4' | 123.4° | 118.5° |
O4' | C4' | C3' | C2' | 35.3° | 37.0° |
O4' | C4' | C3' | H3'1 | 90.0° | 155.2° |
O4' | C4' | C3' | H3'2 | 160.6° | 81.2° |
C4' | O4' | C1' | C2' | 3.4° | 26.3° |
C4' | O4' | C1' | N9 | 119.0° | 145.9° |
C4' | O4' | C1' | H1' | 122.5° | 93.1° |
C3' | C4' | O4' | C1' | 20.2° | 39.9° |
C4' | C3' | C2' | H3'1 | 125.3° | 118.2° |
C4' | C3' | C2' | H3'2 | 125.3° | 118.2° |
C4' | C3' | H3'1 | H3'2 | 120.8° | 123.6° |
C4' | C3' | C2' | C1' | 36.2° | 20.9° |
C4' | C3' | C2' | H2'1 | 161.4° | 97.9° |
C4' | C3' | C2' | H2'2 | 89.1° | 139.5° |
H4' | C4' | O4' | C1' | 98.7° | 78.6° |
H4' | C4' | C3' | C2' | 88.1° | 81.5° |
H4' | C4' | C3' | H3'1 | 146.6° | 36.7° |
H4' | C4' | C3' | H3'2 | 37.2° | 160.3° |
O4' | C1' | C2' | C3' | 25.2° | 1.9° |
O4' | C1' | C2' | N9 | 119.8° | 119.6° |
O4' | C1' | C2' | H1' | 121.7° | 119.5° |
O4' | C1' | C2' | H2'1 | 150.5° | 120.7° |
O4' | C1' | C2' | H2'2 | 100.0° | 116.7° |
O4' | C1' | N9 | H1' | 121.7° | 121.0° |
O4' | C1' | N9 | C8 | 30.4° | 28.3° |
O4' | C1' | N9 | C4 | 150.2° | 151.8° |
C2' | C3' | H3'1 | H3'2 | 120.9° | 123.6° |
C3' | C2' | C1' | H2'1 | 125.2° | 118.8° |
C3' | C2' | C1' | H2'2 | 125.3° | 118.6° |
C3' | C2' | H2'1 | H2'2 | 121.0° | 122.6° |
C3' | C2' | C1' | N9 | 94.6° | 121.5° |
C3' | C2' | C1' | H1' | 146.9° | 117.6° |
H3'1 | C3' | C2' | C1' | 89.1° | 139.1° |
H3'1 | C3' | C2' | H2'1 | 36.1° | 20.4° |
H3'1 | C3' | C2' | H2'2 | 145.6° | 102.3° |
H3'2 | C3' | C2' | C1' | 161.5° | 97.3° |
H3'2 | C3' | C2' | H2'1 | 73.3° | 143.9° |
H3'2 | C3' | C2' | H2'2 | 36.2° | 21.3° |
C1' | C2' | H2'1 | H2'2 | 121.1° | 122.6° |
C2' | C1' | N9 | H1' | 119.1° | 121.0° |
C2' | C1' | N9 | C8 | 88.8° | 89.7° |
C2' | C1' | N9 | C4 | 90.7° | 90.2° |
H2'1 | C2' | C1' | N9 | 30.6° | 119.8° |
H2'1 | C2' | C1' | H1' | 87.8° | 1.2° |
H2'2 | C2' | C1' | N9 | 140.1° | 2.9° |
H2'2 | C2' | C1' | H1' | 21.7° | 123.8° |
C1' | N9 | C8 | C4 | 179.5° | 179.9° |
C1' | N9 | C8 | N7 | 179.3° | 180.0° |
C1' | N9 | C8 | H8 | 0.7° | 0.1° |
C1' | N9 | C4 | C5 | 179.3° | 180.0° |
C1' | N9 | C4 | N3 | 0.6° | 0.2° |
H1' | C1' | N9 | C8 | 152.1° | 149.3° |
H1' | C1' | N9 | C4 | 28.4° | 30.8° |
N9 | C8 | N7 | H8 | 180.0° | 179.9° |
N9 | C8 | N7 | C5 | 0.1° | 0.0° |
C8 | N9 | C4 | C5 | 0.2° | 0.1° |
C8 | N9 | C4 | N3 | 179.9° | 179.9° |
C4 | N9 | C8 | N7 | 0.2° | 0.1° |
C4 | N9 | C8 | H8 | 179.8° | 180.0° |
N9 | C4 | C5 | N7 | 0.2° | 0.1° |
N9 | C4 | C5 | C6 | 179.8° | 179.9° |
N9 | C4 | C5 | N3 | 179.9° | 179.8° |
N9 | C4 | N3 | C2 | 179.8° | 179.9° |
C8 | N7 | C5 | C6 | 179.9° | 180.0° |
C8 | N7 | C5 | C4 | 0.1° | 0.0° |
H8 | C8 | N7 | C5 | 179.9° | 180.0° |
N7 | C5 | C6 | C4 | 180.0° | 180.0° |
N7 | C5 | C6 | O6 | 0.1° | 0.0° |
N7 | C5 | C6 | N1 | 180.0° | 179.7° |
N7 | C5 | C4 | N3 | 179.9° | 179.9° |
C5 | C6 | O6 | N1 | 179.9° | 179.6° |
C5 | C6 | N1 | C2 | 0.0° | 0.6° |
C5 | C6 | N1 | HN1 | 180.0° | 179.9° |
C6 | C5 | C4 | N3 | 0.1° | 0.1° |
C4 | C5 | C6 | O6 | 179.9° | 179.9° |
C4 | C5 | C6 | N1 | 0.1° | 0.3° |
C5 | C4 | N3 | C2 | 0.0° | 0.1° |
O6 | C6 | N1 | C2 | 179.9° | 179.7° |
O6 | C6 | N1 | HN1 | 0.1° | 0.4° |
C6 | N1 | C2 | HN1 | 180.0° | 179.3° |
C6 | N1 | C2 | N2 | 179.9° | 179.6° |
C6 | N1 | C2 | N3 | 0.1° | 0.6° |
N1 | C2 | N2 | N3 | 179.9° | 179.8° |
N1 | C2 | N2 | HN21 | 180.0° | 179.7° |
N1 | C2 | N2 | HN22 | 54.8° | 0.5° |
N1 | C2 | N3 | C4 | 0.0° | 0.2° |
HN1 | N1 | C2 | N2 | 0.2° | 0.3° |
HN1 | N1 | C2 | N3 | 179.9° | 179.9° |
C2 | N2 | HN21 | HN22 | 125.2° | 179.8° |
N2 | C2 | N3 | C4 | 179.9° | 180.0° |
N3 | C2 | N2 | HN21 | 0.1° | 0.1° |
N3 | C2 | N2 | HN22 | 125.3° | 179.7° |