0L4
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1G | PG | doub | 1.48Å | 1.51Å | |
O2G | PG | sing | 1.61Å | 1.51Å | |
PG | O3T | sing | 1.61Å | 1.51Å | |
PG | O3B | sing | 1.61Å | 1.61Å | |
O2B | PB | doub | 1.48Å | 1.51Å | |
O2A | PA | doub | 1.48Å | 1.51Å | |
O3B | PB | sing | 1.61Å | 1.61Å | |
PB | O1B | sing | 1.61Å | 1.51Å | |
PB | O3A | sing | 1.61Å | 1.61Å | |
C5' | O5' | sing | 1.43Å | 1.42Å | |
C5' | C4' | sing | 1.53Å | 1.53Å | |
PA | O3A | sing | 1.61Å | 1.61Å | |
PA | O5' | sing | 1.61Å | 1.61Å | |
PA | O1A | sing | 1.61Å | 1.51Å | |
O3' | C3' | sing | 1.43Å | 1.43Å | |
C4' | C3' | sing | 1.55Å | 1.52Å | |
C4' | O4' | sing | 1.44Å | 1.43Å | |
C3' | C2' | sing | 1.55Å | 1.52Å | |
O4' | C1' | sing | 1.44Å | 1.43Å | |
N47 | C46 | sing | 1.47Å | 1.45Å | |
C2' | C1' | sing | 1.54Å | 1.52Å | |
C1' | N9 | sing | 1.46Å | 1.49Å | |
C46 | C45 | sing | 1.53Å | 1.52Å | |
C8 | N9 | sing | 1.37Å | 1.35Å | Aromatic |
C8 | C7 | doub | 1.36Å | 1.37Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.36Å | Aromatic |
C45 | C44 | sing | 1.53Å | 1.53Å | |
C7 | C42 | sing | 1.43Å | 1.34Å | |
C7 | C5 | sing | 1.47Å | 1.47Å | Aromatic |
C4 | N3 | doub | 1.33Å | 1.36Å | Aromatic |
C4 | C5 | sing | 1.41Å | 1.47Å | Aromatic |
C42 | C43 | trip | 1.17Å | 1.18Å | |
C43 | C44 | sing | 1.47Å | 1.47Å | |
N3 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
C5 | C6 | doub | 1.40Å | 1.48Å | Aromatic |
C2 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
C6 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.35Å | |
O1A | H1 | sing | 0.97Å | 0.95Å | |
O2G | H2 | sing | 0.97Å | 0.95Å | |
O3T | H3 | sing | 0.97Å | 0.95Å | |
O1B | H4 | sing | 0.97Å | 0.95Å | |
C5' | H5 | sing | 1.09Å | 1.10Å | |
C5' | H6 | sing | 1.09Å | 1.10Å | |
C4' | H7 | sing | 1.09Å | 1.10Å | |
C1' | H8 | sing | 1.09Å | 1.10Å | |
C2' | H9 | sing | 1.09Å | 1.10Å | |
C2' | H10 | sing | 1.09Å | 1.10Å | |
C3' | H11 | sing | 1.09Å | 1.10Å | |
O3' | H12 | sing | 0.97Å | 0.95Å | |
C8 | H13 | sing | 1.08Å | 1.08Å | |
N6 | H14 | sing | 0.97Å | 1.00Å | |
N6 | H15 | sing | 0.97Å | 1.00Å | |
C2 | H16 | sing | 1.08Å | 1.08Å | |
C44 | H17 | sing | 1.09Å | 1.10Å | |
C44 | H18 | sing | 1.09Å | 1.10Å | |
C45 | H19 | sing | 1.09Å | 1.10Å | |
C45 | H20 | sing | 1.09Å | 1.10Å | |
C46 | H21 | sing | 1.09Å | 1.10Å | |
C46 | H22 | sing | 1.09Å | 1.10Å | |
N47 | H23 | sing | 1.01Å | 1.00Å | |
N47 | H24 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1G | PG | O2G | 116.1° | 109.5° |
O1G | PG | O3T | 112.9° | 109.5° |
O1G | PG | O3B | 103.1° | 109.5° |
O2G | PG | O3T | 114.1° | 109.5° |
O2G | PG | O3B | 105.4° | 109.4° |
PG | O2G | H2 | 109.5° | 114.0° |
O3T | PG | O3B | 103.4° | 109.5° |
PG | O3T | H3 | 109.5° | 114.0° |
PG | O3B | PB | 124.2° | 134.0° |
O2B | PB | O3B | 111.5° | 109.4° |
O2B | PB | O1B | 119.2° | 109.5° |
O2B | PB | O3A | 110.1° | 109.5° |
O2A | PA | O3A | 111.7° | 109.5° |
O2A | PA | O5' | 110.9° | 109.4° |
O2A | PA | O1A | 117.3° | 109.5° |
O3B | PB | O1B | 106.7° | 109.5° |
O3B | PB | O3A | 101.9° | 109.4° |
O1B | PB | O3A | 106.0° | 109.5° |
PB | O1B | H4 | 109.5° | 114.0° |
PB | O3A | PA | 124.4° | 134.0° |
O5' | C5' | C4' | 112.2° | 109.5° |
C5' | O5' | PA | 120.2° | 123.0° |
O5' | C5' | H5 | 108.8° | 109.5° |
O5' | C5' | H6 | 108.8° | 109.5° |
C5' | C4' | C3' | 112.5° | 110.4° |
C5' | C4' | O4' | 112.7° | 110.4° |
C4' | C5' | H5 | 108.8° | 109.5° |
C4' | C5' | H6 | 108.8° | 109.5° |
C5' | C4' | H7 | 108.3° | 110.4° |
O3A | PA | O5' | 100.3° | 109.5° |
O3A | PA | O1A | 107.7° | 109.5° |
O5' | PA | O1A | 107.6° | 109.5° |
PA | O1A | H1 | 109.5° | 114.0° |
O3' | C3' | C4' | 112.2° | 110.6° |
O3' | C3' | C2' | 110.9° | 110.5° |
O3' | C3' | H11 | 111.1° | 110.6° |
C3' | O3' | H12 | 109.5° | 114.0° |
C3' | C4' | O4' | 105.1° | 104.8° |
C4' | C3' | C2' | 102.9° | 104.1° |
C3' | C4' | H7 | 108.5° | 110.3° |
C4' | C3' | H11 | 109.7° | 110.5° |
C4' | O4' | C1' | 109.3° | 105.3° |
O4' | C4' | H7 | 109.6° | 110.5° |
C3' | C2' | C1' | 104.2° | 104.1° |
C3' | C2' | H9 | 110.8° | 110.5° |
C3' | C2' | H10 | 110.8° | 110.7° |
C2' | C3' | H11 | 109.8° | 110.5° |
O4' | C1' | C2' | 107.5° | 104.8° |
O4' | C1' | N9 | 110.0° | 110.4° |
O4' | C1' | H8 | 112.2° | 110.4° |
N47 | C46 | C45 | 110.1° | 109.5° |
N47 | C46 | H21 | 109.3° | 109.5° |
N47 | C46 | H22 | 109.3° | 109.5° |
C46 | N47 | H23 | 109.5° | 111.0° |
C46 | N47 | H24 | 109.5° | 111.0° |
C2' | C1' | N9 | 104.6° | 110.4° |
C2' | C1' | H8 | 110.8° | 110.5° |
C1' | C2' | H9 | 110.8° | 110.5° |
C1' | C2' | H10 | 110.8° | 110.5° |
C1' | N9 | C8 | 123.7° | 124.8° |
C1' | N9 | C4 | 124.0° | 124.8° |
N9 | C1' | H8 | 111.4° | 110.3° |
C46 | C45 | C44 | 111.5° | 109.5° |
C46 | C45 | H19 | 109.0° | 109.5° |
C46 | C45 | H20 | 109.0° | 109.5° |
C45 | C46 | H21 | 109.3° | 109.4° |
C45 | C46 | H22 | 109.3° | 109.5° |
N9 | C8 | C7 | 107.1° | 109.6° |
C8 | N9 | C4 | 112.2° | 110.3° |
N9 | C8 | H13 | 126.4° | 125.2° |
C8 | C7 | C42 | 125.1° | 126.7° |
C8 | C7 | C5 | 111.0° | 106.5° |
C7 | C8 | H13 | 126.4° | 125.2° |
N9 | C4 | N3 | 134.5° | 134.1° |
N9 | C4 | C5 | 108.3° | 107.4° |
C45 | C44 | C43 | 109.7° | 109.5° |
C45 | C44 | H17 | 109.4° | 109.5° |
C45 | C44 | H18 | 109.4° | 109.5° |
C44 | C45 | H19 | 109.0° | 109.5° |
C44 | C45 | H20 | 109.0° | 109.5° |
C42 | C7 | C5 | 123.9° | 126.8° |
C7 | C42 | C43 | 178.0° | 180.0° |
C7 | C5 | C4 | 101.3° | 106.2° |
C7 | C5 | C6 | 139.3° | 135.1° |
N3 | C4 | C5 | 117.2° | 118.5° |
C4 | N3 | C2 | 121.0° | 120.7° |
C4 | C5 | C6 | 119.3° | 118.7° |
C42 | C43 | C44 | 180.0° | 180.0° |
C43 | C44 | H17 | 109.4° | 109.5° |
C43 | C44 | H18 | 109.4° | 109.5° |
N3 | C2 | N1 | 124.1° | 122.7° |
N3 | C2 | H16 | 117.9° | 118.7° |
C5 | C6 | N1 | 116.7° | 118.4° |
C5 | C6 | N6 | 120.4° | 120.8° |
C2 | N1 | C6 | 121.8° | 121.0° |
N1 | C2 | H16 | 117.9° | 118.7° |
N1 | C6 | N6 | 122.9° | 120.8° |
C6 | N6 | H14 | 109.5° | 120.0° |
C6 | N6 | H15 | 109.5° | 120.0° |
H5 | C5' | H6 | 109.5° | 109.5° |
H9 | C2' | H10 | 109.5° | 110.4° |
H14 | N6 | H15 | 109.4° | 120.0° |
H17 | C44 | H18 | 109.5° | 109.4° |
H19 | C45 | H20 | 109.5° | 109.5° |
H21 | C46 | H22 | 109.5° | 109.5° |
H23 | N47 | H24 | 109.5° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1G | PG | O2G | O3T | 133.9° | 120.0° |
O1G | PG | O2G | O3B | 113.3° | 120.0° |
O1G | PG | O3T | O3B | 110.7° | 120.0° |
O1G | PG | O3B | PB | 108.6° | 45.0° |
O1G | PG | O2G | H2 | 92.5° | 60.0° |
O1G | PG | O3T | H3 | 0.0° | 180.0° |
O2G | PG | O3T | O3B | 113.9° | 119.9° |
O2G | PG | O3B | PB | 13.5° | 165.0° |
O2G | PG | O3T | H3 | 135.3° | 60.0° |
O3T | PG | O3B | PB | 133.6° | 75.0° |
O3T | PG | O2G | H2 | 133.6° | 60.1° |
PG | O3B | PB | O2B | 11.3° | 45.0° |
PG | O3B | PB | O1B | 143.1° | 75.0° |
PG | O3B | PB | O3A | 106.1° | 165.0° |
O3B | PG | O2G | H2 | 20.9° | 180.0° |
O3B | PG | O3T | H3 | 110.7° | 60.0° |
O2B | PB | O3B | O1B | 131.7° | 120.0° |
O2B | PB | O3B | O3A | 117.4° | 120.0° |
O2B | PB | O1B | O3A | 124.7° | 120.0° |
O2B | PB | O3A | PA | 25.8° | 40.1° |
O2B | PB | O1B | H4 | 0.0° | 179.9° |
O2A | PA | O3A | PB | 10.3° | 40.0° |
O2A | PA | O5' | C5' | 51.8° | 55.0° |
O2A | PA | O3A | O5' | 117.5° | 120.0° |
O2A | PA | O3A | O1A | 130.1° | 120.0° |
O2A | PA | O5' | O1A | 129.4° | 120.0° |
O2A | PA | O1A | H1 | 0.0° | 180.0° |
O3B | PB | O1B | O3A | 108.0° | 120.0° |
O3B | PB | O3A | PA | 92.7° | 160.0° |
O3B | PB | O1B | H4 | 127.3° | 60.0° |
O1B | PB | O3A | PA | 155.9° | 80.0° |
PB | O3A | PA | O5' | 107.2° | 159.9° |
PB | O3A | PA | O1A | 140.4° | 80.1° |
O3A | PB | O1B | H4 | 124.7° | 60.0° |
O5' | C5' | C4' | H5 | 120.4° | 120.0° |
O5' | C5' | C4' | H6 | 120.4° | 120.0° |
C5' | O5' | PA | O3A | 66.3° | 175.0° |
C5' | O5' | PA | O1A | 178.7° | 65.0° |
O5' | C5' | C4' | C3' | 75.6° | 175.0° |
O5' | C5' | C4' | O4' | 43.0° | 69.7° |
O5' | C5' | H5 | H6 | 118.8° | 120.0° |
O5' | C5' | C4' | H7 | 164.5° | 52.8° |
C4' | C5' | O5' | PA | 130.2° | 180.0° |
C5' | C4' | C3' | O3' | 84.2° | 98.6° |
C5' | C4' | C3' | O4' | 123.0° | 118.8° |
C5' | C4' | C3' | H7 | 119.8° | 122.3° |
C5' | C4' | O4' | H7 | 120.8° | 122.4° |
C5' | C4' | C3' | C2' | 156.6° | 142.8° |
C5' | C4' | O4' | C1' | 150.1° | 159.3° |
C4' | C5' | H5 | H6 | 118.8° | 120.0° |
C5' | C4' | C3' | H11 | 39.8° | 24.2° |
O3A | PA | O5' | O1A | 112.4° | 120.0° |
O3A | PA | O1A | H1 | 127.0° | 59.9° |
O5' | PA | O1A | H1 | 125.7° | 60.1° |
PA | O5' | C5' | H5 | 9.8° | 60.0° |
PA | O5' | C5' | H6 | 109.4° | 60.0° |
O3' | C3' | C4' | C2' | 119.2° | 118.7° |
O3' | C3' | C4' | H11 | 124.0° | 122.7° |
O3' | C3' | C4' | O4' | 152.8° | 142.6° |
O3' | C3' | C2' | H11 | 123.1° | 122.7° |
O3' | C3' | C2' | C1' | 147.5° | 118.7° |
O3' | C3' | C4' | H7 | 35.7° | 23.7° |
O3' | C3' | C2' | H9 | 93.4° | 0.1° |
O3' | C3' | C2' | H10 | 28.3° | 122.6° |
C3' | C4' | O4' | H7 | 116.4° | 118.8° |
C4' | C3' | C2' | H11 | 116.8° | 118.6° |
C3' | C4' | O4' | C1' | 27.2° | 40.5° |
C4' | C3' | C2' | C1' | 27.3° | 0.0° |
C3' | C4' | C5' | H5 | 44.8° | 65.0° |
C3' | C4' | C5' | H6 | 164.0° | 55.0° |
C4' | C3' | C2' | H9 | 146.4° | 118.6° |
C4' | C3' | C2' | H10 | 91.8° | 118.7° |
C4' | C3' | O3' | H12 | 180.0° | 180.0° |
O4' | C4' | C3' | C2' | 33.6° | 23.9° |
C4' | O4' | C1' | C2' | 9.5° | 40.5° |
C4' | O4' | C1' | N9 | 122.8° | 159.4° |
O4' | C4' | C5' | H5 | 163.4° | 50.3° |
O4' | C4' | C5' | H6 | 77.4° | 170.4° |
C4' | O4' | C1' | H8 | 112.6° | 78.4° |
O4' | C4' | C3' | H11 | 83.2° | 94.7° |
C3' | C2' | C1' | O4' | 12.0° | 24.0° |
C3' | C2' | C1' | H9 | 119.1° | 118.6° |
C3' | C2' | C1' | H10 | 119.1° | 118.8° |
C3' | C2' | C1' | N9 | 104.9° | 142.8° |
C2' | C3' | C4' | H7 | 83.6° | 95.0° |
C3' | C2' | C1' | H8 | 135.0° | 94.9° |
C3' | C2' | H9 | H10 | 122.5° | 122.8° |
C2' | C3' | O3' | H12 | 65.6° | 65.3° |
O4' | C1' | C2' | N9 | 116.9° | 118.9° |
O4' | C1' | C2' | H8 | 123.0° | 118.9° |
O4' | C1' | N9 | H8 | 125.1° | 122.3° |
O4' | C1' | N9 | C8 | 23.4° | 23.9° |
O4' | C1' | N9 | C4 | 159.4° | 156.5° |
C1' | O4' | C4' | H7 | 89.2° | 78.3° |
O4' | C1' | C2' | H9 | 131.2° | 142.6° |
O4' | C1' | C2' | H10 | 107.1° | 94.8° |
N47 | C46 | C45 | H21 | 120.1° | 120.0° |
N47 | C46 | C45 | H22 | 120.1° | 120.0° |
N47 | C46 | C45 | C44 | 175.7° | 180.0° |
N47 | C46 | C45 | H19 | 64.0° | 60.1° |
N47 | C46 | C45 | H20 | 55.4° | 60.0° |
N47 | C46 | H21 | H22 | 119.7° | 120.0° |
C46 | N47 | H23 | H24 | 120.0° | 124.0° |
C2' | C1' | N9 | H8 | 119.8° | 122.4° |
C2' | C1' | N9 | C8 | 91.7° | 91.5° |
C2' | C1' | N9 | C4 | 85.4° | 88.1° |
C1' | C2' | H9 | H10 | 122.4° | 122.6° |
C1' | C2' | C3' | H11 | 89.5° | 118.6° |
C1' | N9 | C8 | C4 | 177.4° | 179.7° |
C1' | N9 | C8 | C7 | 178.2° | 180.0° |
C1' | N9 | C4 | N3 | 2.3° | 0.8° |
C1' | N9 | C4 | C5 | 178.3° | 179.8° |
N9 | C1' | C2' | H9 | 14.3° | 98.5° |
N9 | C1' | C2' | H10 | 136.0° | 24.0° |
C1' | N9 | C8 | H13 | 1.8° | 0.0° |
C46 | C45 | C44 | H19 | 120.3° | 120.0° |
C46 | C45 | C44 | H20 | 120.3° | 120.0° |
C46 | C45 | C44 | C43 | 38.0° | 180.0° |
C46 | C45 | C44 | H17 | 158.0° | 60.0° |
C46 | C45 | C44 | H18 | 82.1° | 60.0° |
C46 | C45 | H19 | H20 | 119.1° | 120.0° |
C45 | C46 | H21 | H22 | 119.7° | 120.0° |
C45 | C46 | N47 | H23 | 180.0° | 56.0° |
C45 | C46 | N47 | H24 | 60.0° | 180.0° |
N9 | C8 | C7 | H13 | 180.0° | 180.0° |
N9 | C8 | C7 | C42 | 179.1° | 180.0° |
N9 | C8 | C7 | C5 | 0.4° | 0.0° |
C8 | N9 | C4 | N3 | 179.7° | 179.5° |
C8 | N9 | C4 | C5 | 0.9° | 0.4° |
C8 | N9 | C1' | H8 | 148.6° | 146.1° |
C7 | C8 | N9 | C4 | 0.8° | 0.3° |
C8 | C7 | C42 | C5 | 179.4° | 180.0° |
C8 | C7 | C5 | C4 | 0.2° | 0.3° |
C8 | C7 | C42 | C43 | 119.2° | 133.7° |
C8 | C7 | C5 | C6 | 179.7° | 180.0° |
N9 | C4 | C5 | C7 | 0.6° | 0.4° |
N9 | C4 | N3 | C5 | 179.3° | 179.0° |
N9 | C4 | N3 | C2 | 179.3° | 179.5° |
N9 | C4 | C5 | C6 | 179.2° | 179.8° |
C4 | N9 | C1' | H8 | 34.3° | 34.2° |
C4 | N9 | C8 | H13 | 179.2° | 179.7° |
C45 | C44 | C43 | C42 | 99.4° | 24.5° |
C45 | C44 | C43 | H17 | 120.0° | 120.1° |
C45 | C44 | C43 | H18 | 120.0° | 120.0° |
C45 | C44 | H17 | H18 | 119.9° | 120.0° |
C44 | C45 | H19 | H20 | 119.1° | 120.0° |
C44 | C45 | C46 | H21 | 55.6° | 60.0° |
C44 | C45 | C46 | H22 | 64.2° | 60.0° |
C42 | C7 | C5 | C4 | 179.6° | 179.7° |
C7 | C42 | C43 | C44 | 44.4° | 141.8° |
C42 | C7 | C5 | C6 | 0.2° | 0.0° |
C42 | C7 | C8 | H13 | 0.9° | 0.0° |
C7 | C5 | C4 | N3 | 179.9° | 179.7° |
C7 | C5 | C4 | C6 | 179.9° | 179.8° |
C5 | C7 | C42 | C43 | 61.4° | 46.3° |
C7 | C5 | C6 | N1 | 179.9° | 180.0° |
C7 | C5 | C6 | N6 | 0.0° | 0.0° |
C5 | C7 | C8 | H13 | 179.6° | 180.0° |
N3 | C4 | C5 | C6 | 0.2° | 0.6° |
C4 | N3 | C2 | N1 | 0.2° | 0.3° |
C4 | N3 | C2 | H16 | 179.8° | 179.7° |
C5 | C4 | N3 | C2 | 0.0° | 0.6° |
C4 | C5 | C6 | N1 | 0.3° | 0.3° |
C4 | C5 | C6 | N6 | 179.8° | 179.7° |
C42 | C43 | C44 | H17 | 140.6° | 95.6° |
C42 | C43 | C44 | H18 | 20.7° | 144.5° |
C43 | C44 | H17 | H18 | 119.9° | 120.0° |
C43 | C44 | C45 | H19 | 82.3° | 60.0° |
C43 | C44 | C45 | H20 | 158.3° | 60.0° |
N3 | C2 | N1 | H16 | 180.0° | 180.0° |
N3 | C2 | N1 | C6 | 0.1° | 0.0° |
C5 | C6 | N1 | C2 | 0.2° | 0.0° |
C5 | C6 | N1 | N6 | 179.9° | 180.0° |
C5 | C6 | N6 | H14 | 179.9° | 0.0° |
C5 | C6 | N6 | H15 | 60.2° | 180.0° |
C2 | N1 | C6 | N6 | 180.0° | 179.9° |
N1 | C6 | N6 | H14 | 0.0° | 180.0° |
N1 | C6 | N6 | H15 | 120.0° | 0.0° |
C6 | N1 | C2 | H16 | 179.9° | 180.0° |
C6 | N6 | H14 | H15 | 120.0° | 180.0° |
H5 | C5' | C4' | H7 | 75.1° | 172.7° |
H6 | C5' | C4' | H7 | 44.1° | 67.2° |
H7 | C4' | C3' | H11 | 159.6° | 146.4° |
H8 | C1' | C2' | H9 | 105.9° | 23.7° |
H8 | C1' | C2' | H10 | 15.8° | 146.3° |
H9 | C2' | C3' | H11 | 29.7° | 122.8° |
H10 | C2' | C3' | H11 | 151.4° | 0.1° |
H11 | C3' | O3' | H12 | 56.7° | 57.3° |
H17 | C44 | C45 | H19 | 37.7° | 180.0° |
H17 | C44 | C45 | H20 | 81.7° | 60.0° |
H18 | C44 | C45 | H19 | 157.6° | 60.0° |
H18 | C44 | C45 | H20 | 38.2° | 180.0° |
H19 | C45 | C46 | H21 | 175.9° | 180.0° |
H19 | C45 | C46 | H22 | 56.1° | 60.0° |
H20 | C45 | C46 | H21 | 64.7° | 60.0° |
H20 | C45 | C46 | H22 | 175.5° | 180.0° |
H21 | C46 | N47 | H23 | 59.9° | 64.0° |
H21 | C46 | N47 | H24 | 60.1° | 60.0° |
H22 | C46 | N47 | H23 | 59.9° | 176.0° |
H22 | C46 | N47 | H24 | 179.9° | 60.0° |