GAV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O6 | C6 | doub | 1.22Å | 1.22Å | |
C6 | C5 | sing | 1.41Å | 1.40Å | |
C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
C4 | N3 | sing | 1.34Å | 1.37Å | |
N3 | C2 | doub | 1.31Å | 1.38Å | |
C2 | N2 | sing | 1.37Å | 1.33Å | |
C6 | N1 | sing | 1.35Å | 1.38Å | |
C2 | N1 | sing | 1.36Å | 1.38Å | |
C5 | N7 | sing | 1.36Å | 1.36Å | Aromatic |
N7 | C8 | doub | 1.30Å | 1.36Å | Aromatic |
C4 | N9 | sing | 1.37Å | 1.39Å | Aromatic |
C8 | N9 | sing | 1.37Å | 1.38Å | Aromatic |
N9 | C1' | sing | 1.46Å | 1.49Å | |
C1' | C2' | sing | 1.55Å | 1.53Å | |
C2' | O2' | sing | 1.43Å | 1.41Å | |
C2' | C3' | sing | 1.55Å | 1.52Å | |
C3' | O3' | sing | 1.43Å | 1.41Å | |
C1' | O4' | sing | 1.44Å | 1.41Å | |
C3' | C4' | sing | 1.54Å | 1.53Å | |
O4' | C4' | sing | 1.44Å | 1.42Å | |
C4' | C5' | sing | 1.53Å | 1.52Å | |
C5' | O5' | sing | 1.43Å | 1.42Å | |
O5' | PA | sing | 1.61Å | 1.62Å | |
PA | S1A | sing | 2.12Å | 1.71Å | |
PA | O2A | doub | 1.48Å | 1.52Å | |
PA | O3A | sing | 1.61Å | 1.62Å | |
O3A | PB | sing | 1.61Å | 1.61Å | |
PB | O1B | sing | 1.61Å | 1.51Å | |
PB | O2B | doub | 1.48Å | 1.51Å | |
PB | O3B | sing | 1.61Å | 1.62Å | |
O3B | PG | sing | 1.61Å | 1.62Å | |
PG | O1G | sing | 1.61Å | 1.52Å | |
PG | O3G | doub | 1.48Å | 1.50Å | |
PG | O2G | sing | 1.61Å | 1.51Å | |
N1 | H1 | sing | 0.97Å | 1.00Å | |
N2 | H2N1 | sing | 0.97Å | 1.00Å | |
N2 | H2N2 | sing | 0.97Å | 1.00Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
O2' | HA | sing | 0.97Å | 0.95Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
O3' | HB | sing | 0.97Å | 0.95Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
C5' | H5'1 | sing | 1.09Å | 1.10Å | |
C5' | H5'2 | sing | 1.09Å | 1.10Å | |
S1A | H1A | sing | 1.34Å | 1.30Å | |
O1B | H1B | sing | 0.97Å | 0.95Å | |
O1G | H1G | sing | 0.97Å | 0.95Å | |
O2G | H2G | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O6 | C6 | C5 | 120.9° | 120.8° |
O6 | C6 | N1 | 117.5° | 120.8° |
C6 | C5 | C4 | 118.0° | 118.6° |
C5 | C6 | N1 | 121.6° | 118.4° |
C6 | C5 | N7 | 134.8° | 134.1° |
C5 | C4 | N3 | 120.2° | 119.7° |
C4 | C5 | N7 | 107.3° | 107.3° |
C5 | C4 | N9 | 107.8° | 106.1° |
C4 | N3 | C2 | 121.5° | 121.2° |
N3 | C4 | N9 | 132.0° | 134.2° |
N3 | C2 | N2 | 119.8° | 119.1° |
N3 | C2 | N1 | 119.6° | 121.9° |
N2 | C2 | N1 | 120.6° | 119.0° |
C2 | N2 | H2N1 | 120.0° | 120.0° |
C2 | N2 | H2N2 | 120.0° | 120.0° |
C6 | N1 | C2 | 119.2° | 120.3° |
C6 | N1 | H1 | 120.4° | 119.8° |
C2 | N1 | H1 | 120.4° | 119.9° |
C5 | N7 | C8 | 109.3° | 109.3° |
N7 | C8 | N9 | 108.1° | 109.8° |
N7 | C8 | H8 | 125.9° | 125.1° |
C4 | N9 | C8 | 107.4° | 107.5° |
C4 | N9 | C1' | 122.2° | 126.3° |
C8 | N9 | C1' | 130.3° | 126.2° |
N9 | C8 | H8 | 126.0° | 125.1° |
N9 | C1' | C2' | 113.4° | 110.6° |
N9 | C1' | O4' | 117.7° | 110.7° |
N9 | C1' | H1' | 106.6° | 110.6° |
C1' | C2' | O2' | 110.7° | 110.9° |
C1' | C2' | C3' | 102.6° | 102.1° |
C2' | C1' | O4' | 104.8° | 103.5° |
C2' | C1' | H1' | 106.1° | 110.6° |
C1' | C2' | H2' | 109.3° | 110.8° |
O2' | C2' | C3' | 113.4° | 111.0° |
O2' | C2' | H2' | 111.0° | 110.8° |
C2' | O2' | HA | 109.5° | 114.0° |
C2' | C3' | O3' | 113.2° | 110.5° |
C2' | C3' | C4' | 104.2° | 104.2° |
C3' | C2' | H2' | 109.4° | 111.0° |
C2' | C3' | H3' | 109.2° | 110.5° |
O3' | C3' | C4' | 110.0° | 110.5° |
O3' | C3' | H3' | 110.9° | 110.5° |
C3' | O3' | HB | 109.5° | 114.0° |
C1' | O4' | C4' | 105.6° | 107.0° |
O4' | C1' | H1' | 107.5° | 110.7° |
C3' | C4' | O4' | 106.5° | 107.3° |
C3' | C4' | C5' | 114.2° | 109.9° |
C4' | C3' | H3' | 109.1° | 110.6° |
C3' | C4' | H4' | 108.3° | 109.9° |
O4' | C4' | C5' | 109.6° | 109.9° |
O4' | C4' | H4' | 109.7° | 109.8° |
C4' | C5' | O5' | 113.6° | 109.5° |
C5' | C4' | H4' | 108.4° | 110.0° |
C4' | C5' | H5'1 | 108.4° | 109.5° |
C4' | C5' | H5'2 | 108.4° | 109.5° |
C5' | O5' | PA | 117.8° | 123.0° |
O5' | C5' | H5'1 | 108.5° | 109.4° |
O5' | C5' | H5'2 | 108.4° | 109.5° |
O5' | PA | S1A | 107.6° | 109.5° |
O5' | PA | O2A | 113.0° | 109.5° |
O5' | PA | O3A | 104.3° | 109.5° |
S1A | PA | O2A | 112.9° | 109.5° |
S1A | PA | O3A | 104.8° | 109.4° |
PA | S1A | H1A | 102.0° | 103.0° |
O2A | PA | O3A | 113.6° | 109.4° |
PA | O3A | PB | 127.4° | 134.0° |
O3A | PB | O1B | 111.2° | 109.5° |
O3A | PB | O2B | 106.2° | 109.5° |
O3A | PB | O3B | 104.4° | 109.5° |
O1B | PB | O2B | 111.1° | 109.5° |
O1B | PB | O3B | 113.3° | 109.5° |
PB | O1B | H1B | 109.5° | 114.0° |
O2B | PB | O3B | 110.2° | 109.4° |
PB | O3B | PG | 126.0° | 134.0° |
O3B | PG | O1G | 108.9° | 109.5° |
O3B | PG | O3G | 115.1° | 109.5° |
O3B | PG | O2G | 107.8° | 109.4° |
O1G | PG | O3G | 107.4° | 109.5° |
O1G | PG | O2G | 113.3° | 109.4° |
PG | O1G | H1G | 109.5° | 114.0° |
O3G | PG | O2G | 104.5° | 109.5° |
PG | O2G | H2G | 109.5° | 114.0° |
H2N1 | N2 | H2N2 | 120.0° | 120.0° |
H5'1 | C5' | H5'2 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O6 | C6 | C5 | N1 | 179.4° | 179.8° |
O6 | C6 | C5 | C4 | 179.8° | 180.0° |
O6 | C6 | N1 | C2 | 179.7° | 179.8° |
O6 | C6 | C5 | N7 | 0.5° | 0.1° |
O6 | C6 | N1 | H1 | 0.3° | 0.0° |
C6 | C5 | C4 | N7 | 179.7° | 179.9° |
C6 | C5 | C4 | N3 | 0.2° | 0.1° |
C5 | C6 | N1 | C2 | 0.9° | 0.4° |
C6 | C5 | N7 | C8 | 179.8° | 180.0° |
C6 | C5 | C4 | N9 | 179.3° | 180.0° |
C5 | C6 | N1 | H1 | 179.1° | 179.8° |
C5 | C4 | N3 | N9 | 179.4° | 179.9° |
C5 | C4 | N3 | C2 | 0.5° | 0.1° |
C4 | C5 | C6 | N1 | 0.4° | 0.2° |
C4 | C5 | N7 | C8 | 0.1° | 0.0° |
C5 | C4 | N9 | C8 | 0.8° | 0.1° |
C5 | C4 | N9 | C1' | 177.7° | 180.0° |
C4 | N3 | C2 | N2 | 179.9° | 180.0° |
C4 | N3 | C2 | N1 | 1.0° | 0.1° |
N3 | C4 | C5 | N7 | 179.9° | 180.0° |
N3 | C4 | N9 | C8 | 179.7° | 180.0° |
N3 | C4 | N9 | C1' | 2.9° | 0.1° |
N3 | C2 | N2 | N1 | 179.0° | 179.9° |
N3 | C2 | N1 | C6 | 1.2° | 0.4° |
C2 | N3 | C4 | N9 | 178.9° | 180.0° |
N3 | C2 | N1 | H1 | 178.8° | 179.8° |
N3 | C2 | N2 | H2N1 | 0.0° | 0.1° |
N3 | C2 | N2 | H2N2 | 180.0° | 180.0° |
N2 | C2 | N1 | C6 | 179.8° | 179.7° |
N2 | C2 | N1 | H1 | 0.2° | 0.1° |
C2 | N2 | H2N1 | H2N2 | 180.0° | 179.9° |
C6 | N1 | C2 | H1 | 180.0° | 179.8° |
N1 | C6 | C5 | N7 | 179.9° | 179.7° |
N1 | C2 | N2 | H2N1 | 179.1° | 179.8° |
N1 | C2 | N2 | H2N2 | 0.9° | 0.1° |
N7 | C5 | C4 | N9 | 0.4° | 0.1° |
C5 | N7 | C8 | N9 | 0.7° | 0.0° |
C5 | N7 | C8 | H8 | 179.3° | 179.9° |
N7 | C8 | N9 | C4 | 0.9° | 0.0° |
N7 | C8 | N9 | H8 | 180.0° | 180.0° |
N7 | C8 | N9 | C1' | 177.4° | 180.0° |
C4 | N9 | C8 | C1' | 176.5° | 179.9° |
C4 | N9 | C1' | C2' | 138.0° | 85.0° |
C4 | N9 | C1' | O4' | 99.3° | 160.9° |
C4 | N9 | C8 | H8 | 179.1° | 180.0° |
C4 | N9 | C1' | H1' | 21.5° | 37.8° |
C8 | N9 | C1' | C2' | 38.1° | 95.1° |
C8 | N9 | C1' | O4' | 84.7° | 19.0° |
C8 | N9 | C1' | H1' | 154.5° | 142.1° |
N9 | C1' | C2' | O4' | 129.7° | 118.6° |
N9 | C1' | C2' | H1' | 116.7° | 122.8° |
N9 | C1' | C2' | O2' | 75.8° | 86.2° |
N9 | C1' | C2' | C3' | 162.9° | 155.5° |
N9 | C1' | O4' | H1' | 120.3° | 123.0° |
N9 | C1' | O4' | C4' | 169.0° | 158.5° |
C1' | N9 | C8 | H8 | 2.5° | 0.1° |
N9 | C1' | C2' | H2' | 46.9° | 37.3° |
C1' | C2' | O2' | C3' | 114.7° | 112.7° |
C1' | C2' | O2' | H2' | 121.6° | 123.5° |
C1' | C2' | C3' | H2' | 116.0° | 118.2° |
C1' | C2' | C3' | O3' | 106.8° | 97.8° |
C2' | C1' | O4' | H1' | 112.6° | 118.5° |
C1' | C2' | C3' | C4' | 12.7° | 20.9° |
C2' | C1' | O4' | C4' | 41.9° | 40.0° |
C1' | C2' | O2' | HA | 180.0° | 180.0° |
C1' | C2' | C3' | H3' | 129.2° | 139.7° |
O2' | C2' | C3' | H2' | 124.5° | 123.6° |
O2' | C2' | C3' | O3' | 12.7° | 20.4° |
O2' | C2' | C1' | O4' | 154.5° | 155.2° |
O2' | C2' | C3' | C4' | 132.2° | 139.1° |
O2' | C2' | C1' | H1' | 40.9° | 36.6° |
O2' | C2' | C3' | H3' | 111.3° | 102.1° |
C2' | C3' | O3' | C4' | 116.1° | 114.8° |
C2' | C3' | O3' | H3' | 123.1° | 122.5° |
C3' | C2' | C1' | O4' | 33.2° | 37.0° |
C2' | C3' | C4' | H3' | 116.6° | 118.7° |
C2' | C3' | C4' | O4' | 11.4° | 2.0° |
C2' | C3' | C4' | C5' | 132.5° | 121.4° |
C3' | C2' | C1' | H1' | 80.4° | 81.6° |
C3' | C2' | O2' | HA | 65.2° | 67.2° |
C2' | C3' | O3' | HB | 180.0° | 61.5° |
C2' | C3' | C4' | H4' | 106.5° | 117.4° |
O3' | C3' | C4' | H3' | 121.8° | 122.6° |
O3' | C3' | C4' | O4' | 133.0° | 120.6° |
O3' | C3' | C4' | C5' | 105.8° | 119.9° |
O3' | C3' | C2' | H2' | 137.2° | 144.0° |
O3' | C3' | C4' | H4' | 15.1° | 1.3° |
C1' | O4' | C4' | C3' | 33.4° | 26.5° |
C1' | O4' | C4' | C5' | 157.4° | 145.9° |
O4' | C1' | C2' | H2' | 82.8° | 81.2° |
C1' | O4' | C4' | H4' | 83.6° | 92.9° |
C3' | C4' | O4' | C5' | 124.1° | 119.5° |
C3' | C4' | O4' | H4' | 117.0° | 119.4° |
C3' | C4' | C5' | H4' | 120.9° | 121.1° |
C3' | C4' | C5' | O5' | 43.3° | 174.9° |
C4' | C3' | C2' | H2' | 103.3° | 97.3° |
C4' | C3' | O3' | HB | 63.9° | 176.2° |
C3' | C4' | C5' | H5'1 | 77.3° | 55.0° |
C3' | C4' | C5' | H5'2 | 163.9° | 65.0° |
O4' | C4' | C5' | H4' | 119.7° | 121.0° |
O4' | C4' | C5' | O5' | 162.7° | 67.2° |
C4' | O4' | C1' | H1' | 70.7° | 78.5° |
O4' | C4' | C3' | H3' | 105.2° | 116.7° |
O4' | C4' | C5' | H5'1 | 42.1° | 172.9° |
O4' | C4' | C5' | H5'2 | 76.7° | 52.9° |
C4' | C5' | O5' | H5'1 | 120.6° | 120.0° |
C4' | C5' | O5' | H5'2 | 120.6° | 120.1° |
C4' | C5' | O5' | PA | 160.3° | 180.0° |
C5' | C4' | C3' | H3' | 16.0° | 2.7° |
C4' | C5' | H5'1 | H5'2 | 118.1° | 120.0° |
C5' | O5' | PA | S1A | 74.5° | 64.9° |
C5' | O5' | PA | O2A | 160.2° | 55.1° |
C5' | O5' | PA | O3A | 36.4° | 175.1° |
O5' | C5' | C4' | H4' | 77.5° | 53.8° |
O5' | C5' | H5'1 | H5'2 | 118.2° | 120.0° |
O5' | PA | S1A | O2A | 125.4° | 120.1° |
O5' | PA | S1A | O3A | 110.6° | 120.0° |
O5' | PA | O2A | O3A | 118.6° | 120.0° |
O5' | PA | O3A | PB | 103.2° | 180.0° |
PA | O5' | C5' | H5'1 | 39.8° | 60.0° |
PA | O5' | C5' | H5'2 | 79.1° | 59.9° |
O5' | PA | S1A | H1A | 125.4° | 60.0° |
S1A | PA | O2A | O3A | 119.1° | 120.0° |
S1A | PA | O3A | PB | 143.9° | 60.0° |
O2A | PA | O3A | PB | 20.3° | 60.0° |
O2A | PA | S1A | H1A | 0.0° | 180.0° |
PA | O3A | PB | O1B | 42.4° | 80.0° |
PA | O3A | PB | O2B | 163.4° | 40.0° |
PA | O3A | PB | O3B | 80.1° | 160.0° |
O3A | PA | S1A | H1A | 124.1° | 60.0° |
O3A | PB | O1B | O2B | 118.1° | 120.0° |
O3A | PB | O1B | O3B | 117.2° | 120.0° |
O3A | PB | O2B | O3B | 112.5° | 120.0° |
O3A | PB | O3B | PG | 140.3° | 165.0° |
O3A | PB | O1B | H1B | 118.1° | 60.0° |
O1B | PB | O2B | O3B | 126.4° | 120.0° |
O1B | PB | O3B | PG | 98.6° | 75.0° |
O2B | PB | O3B | PG | 26.6° | 45.0° |
O2B | PB | O1B | H1B | 0.0° | 179.9° |
PB | O3B | PG | O1G | 63.1° | 75.1° |
PB | O3B | PG | O3G | 57.5° | 45.0° |
PB | O3B | PG | O2G | 173.6° | 165.0° |
O3B | PB | O1B | H1B | 124.7° | 60.0° |
O3B | PG | O1G | O3G | 125.2° | 120.0° |
O3B | PG | O1G | O2G | 119.9° | 119.9° |
O3B | PG | O3G | O2G | 118.0° | 120.0° |
O3B | PG | O1G | H1G | 125.2° | 59.9° |
O3B | PG | O2G | H2G | 122.9° | 180.0° |
O1G | PG | O3G | O2G | 120.7° | 120.0° |
O1G | PG | O2G | H2G | 116.6° | 60.0° |
O3G | PG | O1G | H1G | 0.0° | 180.0° |
O3G | PG | O2G | H2G | 0.0° | 60.0° |
O2G | PG | O1G | H1G | 114.9° | 60.0° |
H1' | C1' | C2' | H2' | 163.6° | 160.1° |
H2' | C2' | O2' | HA | 58.4° | 56.5° |
H2' | C2' | C3' | H3' | 13.2° | 21.5° |
H3' | C3' | O3' | HB | 56.9° | 61.0° |
H3' | C3' | C4' | H4' | 136.9° | 123.9° |
H4' | C4' | C5' | H5'1 | 161.9° | 66.1° |
H4' | C4' | C5' | H5'2 | 43.1° | 173.9° |