GMV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
VB | O1B | sing | 1.84Å | 1.69Å | |
VB | O2B | sing | 1.84Å | 1.73Å | |
VB | O3B | sing | 1.84Å | 1.87Å | |
VB | O4B | sing | 1.84Å | 2.18Å | |
VB | O3A | sing | 1.84Å | 2.01Å | |
O3A | PA | sing | 1.61Å | 1.57Å | |
PA | O1A | doub | 1.48Å | 1.49Å | |
PA | O2A | sing | 1.61Å | 1.52Å | |
PA | O5' | sing | 1.61Å | 1.59Å | |
O5' | C5' | sing | 1.43Å | 1.46Å | |
C5' | C4' | sing | 1.53Å | 1.50Å | |
C4' | O4' | sing | 1.44Å | 1.44Å | |
C4' | C3' | sing | 1.54Å | 1.55Å | |
O4' | C1' | sing | 1.44Å | 1.42Å | |
C3' | O3' | sing | 1.43Å | 1.44Å | |
C3' | C2' | sing | 1.55Å | 1.51Å | |
C2' | O2' | sing | 1.43Å | 1.44Å | |
C2' | C1' | sing | 1.55Å | 1.52Å | |
C1' | N9 | sing | 1.47Å | 1.46Å | |
N9 | C8 | sing | 1.37Å | 1.37Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.36Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.37Å | Aromatic |
N7 | C5 | sing | 1.36Å | 1.38Å | Aromatic |
C5 | C6 | sing | 1.41Å | 1.51Å | |
C5 | C4 | doub | 1.40Å | 1.48Å | Aromatic |
C6 | O6 | doub | 1.22Å | 1.26Å | |
C6 | N1 | sing | 1.35Å | 1.38Å | |
N1 | C2 | sing | 1.36Å | 1.37Å | |
C2 | N2 | sing | 1.37Å | 1.32Å | |
C2 | N3 | doub | 1.31Å | 1.40Å | |
C4 | N3 | sing | 1.34Å | 1.37Å | |
O1B | H1B | sing | 0.97Å | 0.95Å | |
O2B | H2B | sing | 0.97Å | 0.95Å | |
O3B | H3B | sing | 0.97Å | 0.95Å | |
O4B | H4B | sing | 0.97Å | 0.95Å | |
O2A | H2A | sing | 0.97Å | 0.95Å | |
C5' | H5'1 | sing | 1.09Å | 1.10Å | |
C5' | H5'2 | sing | 1.09Å | 1.10Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
O3' | HA | sing | 0.97Å | 0.95Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
O2' | HB | sing | 0.97Å | 0.95Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
N1 | H1 | sing | 0.97Å | 1.00Å | |
N2 | H21N | sing | 0.97Å | 1.00Å | |
N2 | H22N | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1B | VB | O2B | 114.8° | 120.0° |
O1B | VB | O3B | 120.4° | 120.0° |
O1B | VB | O4B | 89.2° | 90.0° |
O1B | VB | O3A | 97.2° | 90.0° |
VB | O1B | H1B | 109.5° | 114.0° |
O2B | VB | O3B | 124.2° | 120.0° |
O2B | VB | O4B | 88.9° | 90.0° |
O2B | VB | O3A | 91.2° | 90.0° |
VB | O2B | H2B | 109.5° | 114.0° |
O3B | VB | O4B | 84.0° | 90.0° |
O3B | VB | O3A | 90.1° | 90.0° |
VB | O3B | H3B | 109.5° | 114.0° |
O4B | VB | O3A | 172.9° | 180.0° |
VB | O4B | H4B | 109.5° | 114.1° |
VB | O3A | PA | 135.5° | 114.0° |
O3A | PA | O1A | 110.1° | 109.4° |
O3A | PA | O2A | 111.0° | 109.5° |
O3A | PA | O5' | 104.1° | 109.5° |
O1A | PA | O2A | 112.9° | 109.5° |
O1A | PA | O5' | 109.7° | 109.5° |
O2A | PA | O5' | 108.6° | 109.5° |
PA | O2A | H2A | 109.5° | 114.0° |
PA | O5' | C5' | 124.5° | 123.0° |
O5' | C5' | C4' | 105.5° | 109.5° |
O5' | C5' | H5'1 | 110.5° | 109.5° |
O5' | C5' | H5'2 | 110.5° | 109.5° |
C5' | C4' | O4' | 107.1° | 109.8° |
C5' | C4' | C3' | 111.9° | 109.9° |
C4' | C5' | H5'1 | 110.4° | 109.4° |
C4' | C5' | H5'2 | 110.5° | 109.4° |
C5' | C4' | H4' | 110.4° | 109.9° |
O4' | C4' | C3' | 106.3° | 107.3° |
C4' | O4' | C1' | 110.1° | 106.9° |
O4' | C4' | H4' | 111.3° | 109.8° |
C4' | C3' | O3' | 110.7° | 110.5° |
C4' | C3' | C2' | 103.9° | 104.2° |
C3' | C4' | H4' | 109.8° | 110.0° |
C4' | C3' | H3' | 110.1° | 110.5° |
O4' | C1' | C2' | 106.2° | 103.5° |
O4' | C1' | N9 | 109.7° | 110.6° |
O4' | C1' | H1' | 112.1° | 110.6° |
O3' | C3' | C2' | 109.5° | 110.5° |
O3' | C3' | H3' | 111.7° | 110.5° |
C3' | O3' | HA | 109.5° | 114.0° |
C3' | C2' | O2' | 114.0° | 110.9° |
C3' | C2' | C1' | 102.9° | 102.1° |
C2' | C3' | H3' | 110.7° | 110.6° |
C3' | C2' | H2' | 108.2° | 110.9° |
O2' | C2' | C1' | 114.1° | 111.0° |
O2' | C2' | H2' | 109.1° | 110.8° |
C2' | O2' | HB | 109.5° | 114.0° |
C2' | C1' | N9 | 106.4° | 110.6° |
C2' | C1' | H1' | 110.6° | 110.6° |
C1' | C2' | H2' | 108.1° | 111.0° |
C1' | N9 | C8 | 129.1° | 126.3° |
C1' | N9 | C4 | 120.5° | 126.2° |
N9 | C1' | H1' | 111.5° | 110.7° |
C8 | N9 | C4 | 110.3° | 107.5° |
N9 | C8 | N7 | 108.9° | 109.8° |
N9 | C8 | H8 | 125.5° | 125.1° |
N9 | C4 | C5 | 105.5° | 106.1° |
N9 | C4 | N3 | 135.1° | 134.2° |
C8 | N7 | C5 | 109.2° | 109.3° |
N7 | C8 | H8 | 125.6° | 125.1° |
N7 | C5 | C6 | 137.7° | 134.1° |
N7 | C5 | C4 | 106.0° | 107.3° |
C6 | C5 | C4 | 116.4° | 118.6° |
C5 | C6 | O6 | 118.7° | 120.8° |
C5 | C6 | N1 | 120.4° | 118.4° |
C5 | C4 | N3 | 119.4° | 119.7° |
O6 | C6 | N1 | 120.9° | 120.8° |
C6 | N1 | C2 | 119.4° | 120.3° |
C6 | N1 | H1 | 120.3° | 119.9° |
N1 | C2 | N2 | 119.4° | 119.1° |
N1 | C2 | N3 | 123.8° | 121.9° |
C2 | N1 | H1 | 120.3° | 119.8° |
N2 | C2 | N3 | 116.7° | 119.0° |
C2 | N2 | H21N | 120.0° | 120.0° |
C2 | N2 | H22N | 120.0° | 120.0° |
C2 | N3 | C4 | 120.7° | 121.1° |
H5'1 | C5' | H5'2 | 109.5° | 109.4° |
H21N | N2 | H22N | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1B | VB | O2B | O3B | 170.6° | 179.9° |
O1B | VB | O2B | O4B | 88.6° | 90.1° |
O1B | VB | O2B | O3A | 98.5° | 90.0° |
O1B | VB | O3B | O4B | 85.5° | 90.0° |
O1B | VB | O3B | O3A | 98.4° | 90.0° |
O1B | VB | O4B | O3A | 154.5° | 155.3° |
O1B | VB | O3A | PA | 147.1° | 60.0° |
O1B | VB | O2B | H2B | 180.0° | 180.0° |
O1B | VB | O3B | H3B | 180.0° | 90.1° |
O1B | VB | O4B | H4B | 180.0° | 180.0° |
O2B | VB | O3B | O4B | 84.6° | 90.0° |
O2B | VB | O3B | O3A | 91.5° | 89.9° |
O2B | VB | O4B | O3A | 90.7° | 84.7° |
O2B | VB | O3A | PA | 97.8° | 60.0° |
O2B | VB | O1B | H1B | 180.0° | 179.9° |
O2B | VB | O3B | H3B | 9.8° | 90.0° |
O2B | VB | O4B | H4B | 65.2° | 59.9° |
O3B | VB | O4B | O3A | 33.8° | 35.3° |
O3B | VB | O3A | PA | 26.4° | 180.0° |
O3B | VB | O1B | H1B | 9.0° | 0.0° |
O3B | VB | O2B | H2B | 9.4° | 0.1° |
O3B | VB | O4B | H4B | 59.3° | 60.0° |
O4B | VB | O3A | PA | 7.3° | 144.7° |
O4B | VB | O1B | H1B | 91.6° | 90.0° |
O4B | VB | O2B | H2B | 91.4° | 89.9° |
O4B | VB | O3B | H3B | 94.5° | 0.0° |
VB | O3A | PA | O1A | 135.5° | 60.0° |
VB | O3A | PA | O2A | 9.7° | 60.0° |
VB | O3A | PA | O5' | 107.0° | 180.0° |
O3A | VB | O1B | H1B | 85.4° | 90.0° |
O3A | VB | O2B | H2B | 81.5° | 90.0° |
O3A | VB | O3B | H3B | 81.6° | 179.9° |
O3A | VB | O4B | H4B | 25.5° | 24.8° |
O3A | PA | O1A | O2A | 124.7° | 120.0° |
O3A | PA | O1A | O5' | 114.1° | 120.0° |
O3A | PA | O2A | O5' | 113.9° | 120.0° |
O3A | PA | O5' | C5' | 176.7° | 175.0° |
O3A | PA | O2A | H2A | 124.2° | 60.0° |
O1A | PA | O2A | O5' | 121.8° | 120.0° |
O1A | PA | O5' | C5' | 65.5° | 55.1° |
O1A | PA | O2A | H2A | 0.0° | 180.0° |
O2A | PA | O5' | C5' | 58.3° | 65.0° |
PA | O5' | C5' | C4' | 163.4° | 180.0° |
O5' | PA | O2A | H2A | 121.9° | 60.0° |
PA | O5' | C5' | H5'1 | 77.2° | 60.0° |
PA | O5' | C5' | H5'2 | 44.0° | 60.0° |
O5' | C5' | C4' | H5'1 | 119.4° | 120.0° |
O5' | C5' | C4' | H5'2 | 119.4° | 120.0° |
O5' | C5' | C4' | O4' | 174.8° | 66.4° |
O5' | C5' | C4' | C3' | 58.8° | 175.7° |
O5' | C5' | H5'1 | H5'2 | 121.9° | 120.0° |
O5' | C5' | C4' | H4' | 63.8° | 54.5° |
C5' | C4' | O4' | C3' | 119.7° | 119.4° |
C5' | C4' | O4' | H4' | 120.8° | 121.0° |
C5' | C4' | C3' | H4' | 122.9° | 121.1° |
C5' | C4' | O4' | C1' | 123.7° | 145.9° |
C5' | C4' | C3' | O3' | 142.5° | 119.9° |
C5' | C4' | C3' | C2' | 100.0° | 121.5° |
C4' | C5' | H5'1 | H5'2 | 121.8° | 119.9° |
C5' | C4' | C3' | H3' | 18.5° | 2.7° |
O4' | C4' | C3' | H4' | 120.5° | 119.5° |
O4' | C4' | C3' | O3' | 100.9° | 120.7° |
O4' | C4' | C3' | C2' | 16.5° | 2.0° |
C4' | O4' | C1' | C2' | 23.0° | 40.0° |
C4' | O4' | C1' | N9 | 137.6° | 158.5° |
O4' | C4' | C5' | H5'1 | 65.8° | 53.6° |
O4' | C4' | C5' | H5'2 | 55.4° | 173.5° |
O4' | C4' | C3' | H3' | 135.1° | 116.7° |
C4' | O4' | C1' | H1' | 97.9° | 78.4° |
C3' | C4' | O4' | C1' | 4.0° | 26.5° |
C4' | C3' | O3' | C2' | 114.0° | 114.7° |
C4' | C3' | O3' | H3' | 123.1° | 122.6° |
C4' | C3' | C2' | H3' | 118.2° | 118.7° |
C4' | C3' | C2' | O2' | 153.3° | 139.1° |
C4' | C3' | C2' | C1' | 29.2° | 20.9° |
C3' | C4' | C5' | H5'1 | 178.1° | 64.3° |
C3' | C4' | C5' | H5'2 | 60.6° | 55.7° |
C4' | C3' | O3' | HA | 180.0° | 180.0° |
C4' | C3' | C2' | H2' | 85.1° | 97.4° |
O4' | C1' | C2' | C3' | 32.6° | 37.0° |
O4' | C1' | C2' | O2' | 156.7° | 155.2° |
O4' | C1' | C2' | N9 | 116.8° | 118.5° |
O4' | C1' | C2' | H1' | 121.9° | 118.5° |
O4' | C1' | N9 | H1' | 124.8° | 123.0° |
O4' | C1' | N9 | C8 | 50.6° | 23.6° |
O4' | C1' | N9 | C4 | 130.9° | 156.7° |
C1' | O4' | C4' | H4' | 115.5° | 93.1° |
O4' | C1' | C2' | H2' | 81.8° | 81.2° |
O3' | C3' | C2' | H3' | 123.5° | 122.6° |
O3' | C3' | C2' | O2' | 34.9° | 20.5° |
O3' | C3' | C2' | C1' | 89.2° | 97.8° |
O3' | C3' | C4' | H4' | 19.6° | 1.2° |
O3' | C3' | C2' | H2' | 156.6° | 144.0° |
C3' | C2' | O2' | C1' | 117.9° | 112.7° |
C3' | C2' | O2' | H2' | 121.2° | 123.6° |
C3' | C2' | C1' | H2' | 114.4° | 118.2° |
C3' | C2' | C1' | N9 | 149.5° | 155.5° |
C2' | C3' | C4' | H4' | 137.0° | 117.4° |
C3' | C2' | C1' | H1' | 89.2° | 81.5° |
C2' | C3' | O3' | HA | 66.0° | 65.3° |
C3' | C2' | O2' | HB | 180.0° | 61.4° |
O2' | C2' | C1' | H2' | 121.5° | 123.6° |
O2' | C2' | C1' | N9 | 86.5° | 86.3° |
O2' | C2' | C3' | H3' | 88.6° | 102.2° |
O2' | C2' | C1' | H1' | 34.8° | 36.7° |
C2' | C1' | N9 | H1' | 120.7° | 122.9° |
C2' | C1' | N9 | C8 | 63.9° | 90.5° |
C2' | C1' | N9 | C4 | 114.6° | 89.2° |
C1' | C2' | C3' | H3' | 147.3° | 139.6° |
C1' | C2' | O2' | HB | 62.1° | 174.2° |
C1' | N9 | C8 | C4 | 178.7° | 179.8° |
C1' | N9 | C8 | N7 | 178.4° | 180.0° |
C1' | N9 | C4 | C5 | 178.5° | 179.9° |
C1' | N9 | C4 | N3 | 1.2° | 0.7° |
N9 | C1' | C2' | H2' | 35.1° | 37.3° |
C1' | N9 | C8 | H8 | 1.6° | 0.0° |
N9 | C8 | N7 | H8 | 180.0° | 180.0° |
N9 | C8 | N7 | C5 | 0.0° | 0.0° |
C8 | N9 | C4 | C5 | 0.3° | 0.4° |
C8 | N9 | C4 | N3 | 180.0° | 179.6° |
C8 | N9 | C1' | H1' | 175.4° | 146.5° |
C4 | N9 | C8 | N7 | 0.2° | 0.3° |
N9 | C4 | C5 | N7 | 0.3° | 0.3° |
N9 | C4 | C5 | C6 | 179.7° | 179.8° |
N9 | C4 | C5 | N3 | 179.7° | 179.3° |
N9 | C4 | N3 | C2 | 178.4° | 179.6° |
C4 | N9 | C1' | H1' | 6.1° | 33.7° |
C4 | N9 | C8 | H8 | 179.8° | 179.8° |
C8 | N7 | C5 | C6 | 179.9° | 180.0° |
C8 | N7 | C5 | C4 | 0.2° | 0.2° |
N7 | C5 | C6 | C4 | 180.0° | 179.8° |
N7 | C5 | C6 | O6 | 0.4° | 0.1° |
N7 | C5 | C6 | N1 | 179.6° | 180.0° |
N7 | C5 | C4 | N3 | 180.0° | 179.7° |
C5 | N7 | C8 | H8 | 180.0° | 180.0° |
C5 | C6 | O6 | N1 | 180.0° | 179.9° |
C5 | C6 | N1 | C2 | 0.3° | 0.0° |
C6 | C5 | C4 | N3 | 0.0° | 0.5° |
C5 | C6 | N1 | H1 | 179.6° | 180.0° |
C4 | C5 | C6 | O6 | 179.6° | 179.7° |
C4 | C5 | C6 | N1 | 0.5° | 0.2° |
C5 | C4 | N3 | C2 | 1.2° | 0.5° |
O6 | C6 | N1 | C2 | 179.6° | 180.0° |
O6 | C6 | N1 | H1 | 0.4° | 0.1° |
C6 | N1 | C2 | H1 | 180.0° | 180.0° |
C6 | N1 | C2 | N2 | 178.9° | 180.0° |
C6 | N1 | C2 | N3 | 1.7° | 0.1° |
N1 | C2 | N2 | N3 | 177.4° | 179.9° |
N1 | C2 | N3 | C4 | 2.2° | 0.2° |
N1 | C2 | N2 | H21N | 177.4° | 0.0° |
N1 | C2 | N2 | H22N | 2.6° | 180.0° |
N2 | C2 | N3 | C4 | 179.5° | 179.7° |
N2 | C2 | N1 | H1 | 1.1° | 0.0° |
C2 | N2 | H21N | H22N | 180.0° | 180.0° |
N3 | C2 | N1 | H1 | 178.3° | 180.0° |
N3 | C2 | N2 | H21N | 0.0° | 180.0° |
N3 | C2 | N2 | H22N | 180.0° | 0.1° |
H5'1 | C5' | C4' | H4' | 55.6° | 174.5° |
H5'2 | C5' | C4' | H4' | 176.8° | 65.5° |
H4' | C4' | C3' | H3' | 104.4° | 123.8° |
H3' | C3' | O3' | HA | 56.9° | 57.4° |
H3' | C3' | C2' | H2' | 33.1° | 21.3° |
H1' | C1' | C2' | H2' | 156.4° | 160.3° |
H2' | C2' | O2' | HB | 58.8° | 62.1° |