8GT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
PG | O1G | doub | 1.48Å | 1.50Å | |
PG | O2G | sing | 1.61Å | 1.50Å | |
PG | O3G | sing | 1.61Å | 1.52Å | |
PG | O3B | sing | 1.61Å | 1.61Å | |
O2G | HOG2 | sing | 0.97Å | 0.95Å | |
O3G | H3G | sing | 0.97Å | 0.95Å | |
O3B | PB | sing | 1.61Å | 1.62Å | |
PB | O1B | doub | 1.48Å | 1.48Å | |
PB | O2B | sing | 1.61Å | 1.47Å | |
PB | O3A | sing | 1.61Å | 1.59Å | |
O2B | HOB2 | sing | 0.97Å | 0.95Å | |
O3A | PA | sing | 1.61Å | 1.62Å | |
PA | O1A | doub | 1.48Å | 1.49Å | |
PA | O2A | sing | 1.61Å | 1.50Å | |
PA | O5' | sing | 1.61Å | 1.59Å | |
O2A | HOA2 | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.43Å | |
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 | 1.44Å | 1.47Å | |
C4' | C3' | sing | 1.54Å | 1.55Å | |
C4' | H4' | sing | 1.09Å | 1.12Å | |
O4' | C1' | sing | 1.44Å | 1.41Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
C3' | C2' | sing | 1.55Å | 1.50Å | |
C3' | H3' | sing | 1.09Å | 1.11Å | |
O3' | H2 | sing | 0.97Å | 0.95Å | |
C2' | O2' | sing | 1.43Å | 1.43Å | |
C2' | C1' | sing | 1.54Å | 1.47Å | |
C2' | H1 | sing | 1.09Å | 1.11Å | |
O2' | H2' | sing | 0.97Å | 0.95Å | |
C1' | N9 | sing | 1.47Å | 1.46Å | |
C1' | H1' | sing | 1.09Å | 1.12Å | |
N9 | C8 | sing | 1.35Å | 1.38Å | |
N9 | C4 | sing | 1.38Å | 1.35Å | |
C8 | N7 | sing | 1.35Å | 1.32Å | |
C8 | O8 | doub | 1.22Å | 1.23Å | |
N7 | C5 | sing | 1.40Å | 1.39Å | |
N7 | HN7 | sing | 0.97Å | 1.02Å | |
C5 | C6 | sing | 1.40Å | 1.42Å | |
C5 | C4 | doub | 1.39Å | 1.37Å | |
C6 | O6 | doub | 1.22Å | 1.23Å | |
C6 | N1 | sing | 1.35Å | 1.41Å | |
N1 | C2 | sing | 1.36Å | 1.39Å | |
N1 | HN1 | sing | 0.97Å | 1.02Å | |
C2 | N2 | sing | 1.37Å | 1.34Å | |
C2 | N3 | doub | 1.32Å | 1.31Å | |
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 | 112.6° | 109.5° |
O1G | PG | O3G | 109.3° | 109.5° |
O1G | PG | O3B | 108.6° | 109.4° |
O2G | PG | O3G | 109.8° | 109.5° |
O2G | PG | O3B | 106.9° | 109.5° |
PG | O2G | HOG2 | 112.6° | 106.8° |
O3G | PG | O3B | 109.5° | 109.5° |
PG | O3G | H3G | 109.3° | 106.8° |
PG | O3B | PB | 130.0° | 106.8° |
O3B | PB | O1B | 110.2° | 109.5° |
O3B | PB | O2B | 110.3° | 109.5° |
O3B | PB | O3A | 103.8° | 109.5° |
O1B | PB | O2B | 112.7° | 109.4° |
O1B | PB | O3A | 109.1° | 109.5° |
O2B | PB | O3A | 110.4° | 109.5° |
PB | O2B | HOB2 | 110.3° | 106.8° |
PB | O3A | PA | 135.2° | 106.8° |
O3A | PA | O1A | 107.6° | 109.4° |
O3A | PA | O2A | 108.0° | 109.5° |
O3A | PA | O5' | 101.2° | 109.4° |
O1A | PA | O2A | 115.7° | 109.5° |
O1A | PA | O5' | 111.9° | 109.5° |
O2A | PA | O5' | 111.2° | 109.5° |
PA | O2A | HOA2 | 108.0° | 106.8° |
PA | O5' | C5' | 123.3° | 106.8° |
O5' | C5' | C4' | 108.0° | 109.4° |
O5' | C5' | H5'1 | 112.8° | 109.5° |
O5' | C5' | H5'2 | 112.8° | 109.5° |
C4' | C5' | H5'1 | 112.8° | 109.4° |
C4' | C5' | H5'2 | 112.8° | 109.5° |
C5' | C4' | O4' | 113.0° | 110.3° |
C5' | C4' | C3' | 114.2° | 110.4° |
C5' | C4' | H4' | 102.2° | 110.4° |
H5'1 | C5' | H5'2 | 97.7° | 109.5° |
O4' | C4' | C3' | 105.1° | 104.8° |
O4' | C4' | H4' | 111.9° | 110.3° |
C4' | O4' | C1' | 103.5° | 105.3° |
C3' | C4' | H4' | 110.6° | 110.4° |
C4' | C3' | O3' | 109.8° | 110.5° |
C4' | C3' | C2' | 102.0° | 104.1° |
C4' | C3' | H3' | 115.8° | 110.5° |
O4' | C1' | C2' | 103.0° | 104.9° |
O4' | C1' | N9 | 111.6° | 110.4° |
O4' | C1' | H1' | 114.7° | 110.4° |
O3' | C3' | C2' | 114.3° | 110.5° |
O3' | C3' | H3' | 103.8° | 110.5° |
C3' | O3' | H2 | 109.8° | 106.8° |
C2' | C3' | H3' | 111.4° | 110.6° |
C3' | C2' | O2' | 111.4° | 110.5° |
C3' | C2' | C1' | 101.8° | 104.0° |
C3' | C2' | H1 | 113.8° | 110.5° |
O2' | C2' | C1' | 111.1° | 110.8° |
O2' | C2' | H1 | 104.9° | 110.5° |
C2' | O2' | H2' | 111.4° | 106.8° |
C1' | C2' | H1 | 114.1° | 110.4° |
C2' | C1' | N9 | 115.5° | 110.4° |
C2' | C1' | H1' | 110.7° | 110.4° |
N9 | C1' | H1' | 102.0° | 110.3° |
C1' | N9 | C8 | 128.5° | 125.6° |
C1' | N9 | C4 | 125.2° | 125.6° |
C8 | N9 | C4 | 106.2° | 108.8° |
N9 | C8 | N7 | 112.9° | 109.4° |
N9 | C8 | O8 | 120.3° | 125.3° |
N9 | C4 | C5 | 106.8° | 106.9° |
N9 | C4 | N3 | 124.5° | 133.5° |
N7 | C8 | O8 | 126.8° | 125.3° |
C8 | N7 | C5 | 103.9° | 107.9° |
C8 | N7 | HN7 | 125.9° | 126.1° |
C5 | N7 | HN7 | 130.2° | 126.0° |
N7 | C5 | C6 | 131.1° | 134.0° |
N7 | C5 | C4 | 110.1° | 106.9° |
C6 | C5 | C4 | 118.8° | 119.0° |
C5 | C6 | O6 | 129.5° | 120.7° |
C5 | C6 | N1 | 111.7° | 118.5° |
C5 | C4 | N3 | 128.7° | 119.6° |
O6 | C6 | N1 | 118.8° | 120.8° |
C6 | N1 | C2 | 124.1° | 120.1° |
C6 | N1 | HN1 | 118.8° | 120.0° |
C2 | N1 | HN1 | 117.2° | 119.9° |
N1 | C2 | N2 | 116.1° | 119.1° |
N1 | C2 | N3 | 124.2° | 121.7° |
N2 | C2 | N3 | 119.7° | 119.2° |
C2 | N2 | HN21 | 109.8° | 120.0° |
C2 | N2 | HN22 | 116.1° | 120.0° |
C2 | N3 | C4 | 112.5° | 121.1° |
HN21 | N2 | HN22 | 109.8° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1G | PG | O2G | O3G | 122.0° | 120.0° |
O1G | PG | O2G | O3B | 119.2° | 120.0° |
O1G | PG | O3G | O3B | 118.8° | 120.0° |
O1G | PG | O2G | HOG2 | 180.0° | 60.0° |
O1G | PG | O3G | H3G | 180.0° | 180.0° |
O1G | PG | O3B | PB | 20.7° | 45.0° |
O2G | PG | O3G | O3B | 117.2° | 120.0° |
O2G | PG | O3G | H3G | 56.0° | 60.0° |
O2G | PG | O3B | PB | 142.5° | 165.0° |
O3G | PG | O2G | HOG2 | 58.0° | 60.0° |
O3G | PG | O3B | PB | 98.6° | 75.0° |
O3B | PG | O2G | HOG2 | 60.8° | 180.0° |
O3B | PG | O3G | H3G | 61.2° | 60.0° |
PG | O3B | PB | O1B | 52.6° | 45.0° |
PG | O3B | PB | O2B | 72.5° | 75.0° |
PG | O3B | PB | O3A | 169.3° | 165.0° |
O3B | PB | O1B | O2B | 123.7° | 120.0° |
O3B | PB | O1B | O3A | 113.3° | 120.0° |
O3B | PB | O2B | O3A | 114.1° | 120.0° |
O3B | PB | O2B | HOB2 | 180.0° | 60.0° |
O3B | PB | O3A | PA | 48.3° | 160.0° |
O1B | PB | O2B | O3A | 122.3° | 120.0° |
O1B | PB | O2B | HOB2 | 56.4° | 180.0° |
O1B | PB | O3A | PA | 165.8° | 40.0° |
O2B | PB | O3A | PA | 69.9° | 80.0° |
O3A | PB | O2B | HOB2 | 65.9° | 60.0° |
PB | O3A | PA | O1A | 160.8° | 45.0° |
PB | O3A | PA | O2A | 35.3° | 75.0° |
PB | O3A | PA | O5' | 81.7° | 165.0° |
O3A | PA | O1A | O2A | 120.8° | 120.0° |
O3A | PA | O1A | O5' | 110.4° | 119.9° |
O3A | PA | O2A | O5' | 110.2° | 120.0° |
O3A | PA | O2A | HOA2 | 180.0° | 60.0° |
O3A | PA | O5' | C5' | 73.9° | 175.0° |
O1A | PA | O2A | O5' | 129.2° | 120.0° |
O1A | PA | O2A | HOA2 | 59.4° | 180.0° |
O1A | PA | O5' | C5' | 40.5° | 55.1° |
O2A | PA | O5' | C5' | 171.6° | 65.0° |
O5' | PA | O2A | HOA2 | 69.8° | 60.0° |
PA | O5' | C5' | C4' | 177.0° | 180.0° |
PA | O5' | C5' | H5'1 | 57.8° | 60.1° |
PA | O5' | C5' | H5'2 | 51.7° | 60.0° |
O5' | C5' | C4' | H5'1 | 125.3° | 120.0° |
O5' | C5' | C4' | H5'2 | 125.3° | 120.0° |
O5' | C5' | H5'1 | H5'2 | 118.7° | 120.0° |
O5' | C5' | C4' | O4' | 179.7° | 66.5° |
O5' | C5' | C4' | C3' | 59.6° | 178.1° |
O5' | C5' | C4' | H4' | 59.9° | 55.7° |
C4' | C5' | H5'1 | H5'2 | 118.7° | 120.0° |
C5' | C4' | O4' | C3' | 125.2° | 118.9° |
C5' | C4' | O4' | H4' | 114.7° | 122.2° |
C5' | C4' | C3' | H4' | 114.6° | 122.3° |
C5' | C4' | O4' | C1' | 151.4° | 159.4° |
C5' | C4' | C3' | O3' | 117.4° | 98.4° |
C5' | C4' | C3' | C2' | 121.0° | 143.0° |
C5' | C4' | C3' | H3' | 0.2° | 24.2° |
H5'1 | C5' | C4' | O4' | 54.4° | 173.5° |
H5'1 | C5' | C4' | C3' | 65.7° | 58.1° |
H5'1 | C5' | C4' | H4' | 174.9° | 64.2° |
H5'2 | C5' | C4' | O4' | 55.0° | 53.5° |
H5'2 | C5' | C4' | C3' | 175.1° | 61.9° |
H5'2 | C5' | C4' | H4' | 65.4° | 175.7° |
O4' | C4' | C3' | H4' | 120.9° | 118.8° |
O4' | C4' | C3' | O3' | 118.1° | 142.8° |
O4' | C4' | C3' | C2' | 3.5° | 24.1° |
O4' | C4' | C3' | H3' | 124.7° | 94.6° |
C4' | O4' | C1' | C2' | 46.9° | 40.5° |
C4' | O4' | C1' | N9 | 171.4° | 159.4° |
C4' | O4' | C1' | H1' | 73.4° | 78.4° |
C3' | C4' | O4' | C1' | 26.2° | 40.5° |
C4' | C3' | O3' | C2' | 113.9° | 114.7° |
C4' | C3' | O3' | H3' | 124.4° | 122.6° |
C4' | C3' | C2' | H3' | 124.2° | 118.7° |
C4' | C3' | O3' | H2 | 180.0° | 180.0° |
C4' | C3' | C2' | O2' | 149.0° | 118.8° |
C4' | C3' | C2' | C1' | 30.5° | 0.2° |
C4' | C3' | C2' | H1 | 92.6° | 118.7° |
H4' | C4' | O4' | C1' | 93.8° | 78.3° |
H4' | C4' | C3' | O3' | 2.8° | 24.0° |
H4' | C4' | C3' | C2' | 124.4° | 94.7° |
H4' | C4' | C3' | H3' | 114.4° | 146.5° |
O4' | C1' | C2' | C3' | 49.1° | 23.8° |
O4' | C1' | C2' | O2' | 167.8° | 142.6° |
O4' | C1' | C2' | N9 | 121.8° | 118.9° |
O4' | C1' | C2' | H1' | 123.0° | 118.9° |
O4' | C1' | C2' | H1 | 73.9° | 94.7° |
O4' | C1' | N9 | H1' | 122.8° | 122.2° |
O4' | C1' | N9 | C8 | 72.1° | 52.0° |
O4' | C1' | N9 | C4 | 108.8° | 128.0° |
O3' | C3' | C2' | H3' | 117.4° | 122.7° |
O3' | C3' | C2' | O2' | 30.6° | 0.1° |
O3' | C3' | C2' | C1' | 87.9° | 118.8° |
O3' | C3' | C2' | H1 | 148.9° | 122.7° |
C2' | C3' | O3' | H2 | 66.1° | 65.3° |
C3' | C2' | O2' | C1' | 112.7° | 114.7° |
C3' | C2' | O2' | H1 | 123.5° | 122.6° |
C3' | C2' | C1' | H1 | 123.0° | 118.5° |
C3' | C2' | O2' | H2' | 180.0° | 61.4° |
C3' | C2' | C1' | N9 | 170.9° | 142.7° |
C3' | C2' | C1' | H1' | 73.9° | 95.1° |
H3' | C3' | O3' | H2 | 55.6° | 57.4° |
H3' | C3' | C2' | O2' | 86.8° | 122.5° |
H3' | C3' | C2' | C1' | 154.7° | 118.5° |
H3' | C3' | C2' | H1 | 31.5° | 0.0° |
O2' | C2' | C1' | H1 | 118.3° | 122.7° |
O2' | C2' | C1' | N9 | 70.4° | 98.5° |
O2' | C2' | C1' | H1' | 44.8° | 23.7° |
C1' | C2' | O2' | H2' | 67.2° | 176.1° |
C2' | C1' | N9 | H1' | 120.1° | 122.2° |
C2' | C1' | N9 | C8 | 45.0° | 63.5° |
C2' | C1' | N9 | C4 | 134.1° | 116.5° |
H1 | C2' | O2' | H2' | 56.5° | 61.1° |
H1 | C2' | C1' | N9 | 47.9° | 24.2° |
H1 | C2' | C1' | H1' | 163.1° | 146.4° |
C1' | N9 | C8 | C4 | 179.3° | 180.0° |
C1' | N9 | C8 | N7 | 178.8° | 180.0° |
C1' | N9 | C8 | O8 | 0.9° | 0.1° |
C1' | N9 | C4 | C5 | 178.7° | 180.0° |
C1' | N9 | C4 | N3 | 0.9° | 0.0° |
H1' | C1' | N9 | C8 | 165.1° | 174.2° |
H1' | C1' | N9 | C4 | 14.1° | 5.7° |
N9 | C8 | N7 | O8 | 179.6° | 179.9° |
N9 | C8 | N7 | C5 | 0.1° | 0.1° |
N9 | C8 | N7 | HN7 | 179.9° | 180.0° |
C8 | N9 | C4 | C5 | 0.6° | 0.0° |
C8 | N9 | C4 | N3 | 179.8° | 180.0° |
C4 | N9 | C8 | N7 | 0.5° | 0.0° |
C4 | N9 | C8 | O8 | 179.9° | 179.9° |
N9 | C4 | C5 | N7 | 0.6° | 0.0° |
N9 | C4 | C5 | C6 | 179.2° | 180.0° |
N9 | C4 | C5 | N3 | 179.6° | 180.0° |
N9 | C4 | N3 | C2 | 179.6° | 180.0° |
C8 | N7 | C5 | HN7 | 180.0° | 179.9° |
C8 | N7 | C5 | C6 | 179.4° | 180.0° |
C8 | N7 | C5 | C4 | 0.3° | 0.1° |
O8 | C8 | N7 | C5 | 179.7° | 180.0° |
O8 | C8 | N7 | HN7 | 0.3° | 0.1° |
N7 | C5 | C6 | C4 | 179.7° | 179.9° |
N7 | C5 | C6 | O6 | 0.3° | 0.1° |
N7 | C5 | C6 | N1 | 179.8° | 179.7° |
N7 | C5 | C4 | N3 | 179.8° | 180.0° |
HN7 | N7 | C5 | C6 | 0.6° | 0.1° |
HN7 | N7 | C5 | C4 | 179.7° | 180.0° |
C5 | C6 | O6 | N1 | 179.9° | 179.7° |
C5 | C6 | N1 | C2 | 0.2° | 0.5° |
C5 | C6 | N1 | HN1 | 179.8° | 180.0° |
C6 | C5 | C4 | N3 | 0.4° | 0.0° |
C4 | C5 | C6 | O6 | 179.4° | 180.0° |
C4 | C5 | C6 | N1 | 0.5° | 0.2° |
C5 | C4 | N3 | C2 | 0.1° | 0.0° |
O6 | C6 | N1 | C2 | 179.7° | 179.7° |
O6 | C6 | N1 | HN1 | 0.3° | 0.3° |
C6 | N1 | C2 | HN1 | 180.0° | 179.4° |
C6 | N1 | C2 | N2 | 179.8° | 179.7° |
C6 | N1 | C2 | N3 | 0.3° | 0.5° |
N1 | C2 | N2 | N3 | 179.9° | 179.7° |
N1 | C2 | N2 | HN21 | 54.7° | 179.7° |
N1 | C2 | N2 | HN22 | 180.0° | 0.6° |
N1 | C2 | N3 | C4 | 0.5° | 0.3° |
HN1 | N1 | C2 | N2 | 0.2° | 0.3° |
HN1 | N1 | C2 | N3 | 179.7° | 180.0° |
C2 | N2 | HN21 | HN22 | 128.8° | 179.7° |
N2 | C2 | N3 | C4 | 179.7° | 180.0° |
N3 | C2 | N2 | HN21 | 125.2° | 0.0° |
N3 | C2 | N2 | HN22 | 0.1° | 179.7° |