1U0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1B | PB | doub | 1.48Å | 1.47Å | |
| O9 | C8 | sing | 1.43Å | 1.61Å | |
| O2B | PB | sing | 1.61Å | 1.52Å | |
| PB | O3A | sing | 1.61Å | 1.67Å | |
| PB | O3B | sing | 1.61Å | 1.51Å | |
| O3A | PA | sing | 1.61Å | 1.58Å | |
| C9 | C8 | sing | 1.53Å | 1.45Å | |
| C9 | O10 | sing | 1.43Å | 1.45Å | |
| N4' | C4' | sing | 1.39Å | 1.42Å | |
| C8 | C2 | sing | 1.51Å | 1.54Å | |
| O1A | PA | doub | 1.48Å | 1.46Å | |
| S1 | C2 | sing | 1.76Å | 1.80Å | Aromatic |
| S1 | C5 | sing | 1.76Å | 1.73Å | Aromatic |
| PA | O2A | sing | 1.61Å | 1.52Å | |
| PA | O7 | sing | 1.61Å | 1.58Å | |
| N3' | C4' | doub | 1.33Å | 1.33Å | Aromatic |
| N3' | C2' | sing | 1.32Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.33Å | 1.34Å | Aromatic |
| C4' | C5' | sing | 1.40Å | 1.43Å | Aromatic |
| C7 | O7 | sing | 1.43Å | 1.47Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| CM2 | C2' | sing | 1.51Å | 1.47Å | |
| C2' | N1' | doub | 1.32Å | 1.36Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.53Å | |
| C5 | C4 | doub | 1.33Å | 1.35Å | Aromatic |
| C3 | C7' | sing | 1.51Å | 1.57Å | |
| C3 | C4 | sing | 1.38Å | 1.52Å | Aromatic |
| C5' | C7' | sing | 1.51Å | 1.52Å | |
| C5' | C6' | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | CM4 | sing | 1.51Å | 1.49Å | |
| N1' | C6' | sing | 1.33Å | 1.31Å | Aromatic |
| O3B | H1 | sing | 0.97Å | 0.95Å | |
| O2B | H2 | sing | 0.97Å | 0.95Å | |
| O2A | H3 | sing | 0.97Å | 0.95Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| CM4 | H8 | sing | 1.09Å | 1.10Å | |
| CM4 | H9 | sing | 1.09Å | 1.10Å | |
| CM4 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| O9 | H12 | sing | 0.97Å | 0.95Å | |
| C7' | H13 | sing | 1.09Å | 1.10Å | |
| C7' | H14 | sing | 1.09Å | 1.10Å | |
| C6' | H15 | sing | 1.08Å | 1.08Å | |
| CM2 | H16 | sing | 1.09Å | 1.10Å | |
| CM2 | H17 | sing | 1.09Å | 1.10Å | |
| CM2 | H18 | sing | 1.09Å | 1.10Å | |
| N4' | H19 | sing | 0.97Å | 1.00Å | |
| N4' | H20 | sing | 0.97Å | 1.00Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| C9 | H22 | sing | 1.09Å | 1.10Å | |
| O10 | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1B | PB | O2B | 118.0° | 109.4° |
| O1B | PB | O3A | 100.5° | 109.5° |
| O1B | PB | O3B | 111.2° | 109.5° |
| O9 | C8 | C9 | 96.1° | 109.4° |
| O9 | C8 | C2 | 107.8° | 109.5° |
| O9 | C8 | H11 | 110.3° | 109.5° |
| C8 | O9 | H12 | 109.5° | 114.0° |
| O2B | PB | O3A | 108.8° | 109.5° |
| O2B | PB | O3B | 109.8° | 109.5° |
| PB | O2B | H2 | 109.5° | 113.9° |
| O3A | PB | O3B | 107.6° | 109.5° |
| PB | O3A | PA | 136.2° | 134.0° |
| PB | O3B | H1 | 109.5° | 114.0° |
| O3A | PA | O1A | 109.1° | 109.5° |
| O3A | PA | O2A | 108.1° | 109.5° |
| O3A | PA | O7 | 104.8° | 109.4° |
| C8 | C9 | O10 | 104.3° | 109.4° |
| C9 | C8 | C2 | 117.4° | 109.5° |
| C9 | C8 | H11 | 112.7° | 109.5° |
| C8 | C9 | H21 | 110.8° | 109.4° |
| C8 | C9 | H22 | 110.7° | 109.5° |
| O10 | C9 | H21 | 110.8° | 109.5° |
| O10 | C9 | H22 | 110.7° | 109.5° |
| C9 | O10 | H23 | 109.5° | 113.9° |
| N4' | C4' | N3' | 111.6° | 120.5° |
| N4' | C4' | C5' | 122.8° | 120.5° |
| C4' | N4' | H19 | 109.5° | 120.0° |
| C4' | N4' | H20 | 109.5° | 120.0° |
| C8 | C2 | S1 | 115.5° | 125.2° |
| C8 | C2 | C3 | 133.9° | 125.2° |
| C2 | C8 | H11 | 111.3° | 109.5° |
| O1A | PA | O2A | 118.5° | 109.4° |
| O1A | PA | O7 | 111.6° | 109.4° |
| C2 | S1 | C5 | 91.2° | 91.0° |
| S1 | C2 | C3 | 110.0° | 109.6° |
| S1 | C5 | C6 | 118.3° | 125.2° |
| S1 | C5 | C4 | 115.2° | 109.6° |
| O2A | PA | O7 | 103.8° | 109.5° |
| PA | O2A | H3 | 109.5° | 114.0° |
| PA | O7 | C7 | 117.3° | 123.0° |
| C4' | N3' | C2' | 119.8° | 120.7° |
| N3' | C4' | C5' | 124.7° | 119.0° |
| N3' | C2' | CM2 | 122.4° | 119.1° |
| N3' | C2' | N1' | 117.5° | 121.9° |
| C2 | C3 | C7' | 123.0° | 122.6° |
| C2 | C3 | C4 | 114.4° | 114.9° |
| C4' | C5' | C7' | 120.5° | 120.9° |
| C4' | C5' | C6' | 110.4° | 118.3° |
| O7 | C7 | C6 | 105.4° | 109.5° |
| O7 | C7 | H4 | 110.4° | 109.5° |
| O7 | C7 | H5 | 110.5° | 109.5° |
| C7 | C6 | C5 | 108.2° | 109.4° |
| C6 | C7 | H4 | 110.5° | 109.5° |
| C6 | C7 | H5 | 110.5° | 109.5° |
| C7 | C6 | H6 | 109.8° | 109.5° |
| C7 | C6 | H7 | 109.8° | 109.5° |
| CM2 | C2' | N1' | 120.1° | 119.1° |
| C2' | CM2 | H16 | 109.5° | 109.5° |
| C2' | CM2 | H17 | 109.5° | 109.4° |
| C2' | CM2 | H18 | 109.5° | 109.5° |
| C2' | N1' | C6' | 121.2° | 121.0° |
| C6 | C5 | C4 | 126.5° | 125.2° |
| C5 | C6 | H6 | 109.8° | 109.4° |
| C5 | C6 | H7 | 109.8° | 109.5° |
| C5 | C4 | C3 | 108.9° | 114.9° |
| C5 | C4 | CM4 | 130.4° | 122.6° |
| C7' | C3 | C4 | 122.6° | 122.5° |
| C3 | C7' | C5' | 109.2° | 109.5° |
| C3 | C7' | H13 | 109.5° | 109.5° |
| C3 | C7' | H14 | 109.6° | 109.4° |
| C3 | C4 | CM4 | 120.3° | 122.5° |
| C7' | C5' | C6' | 129.0° | 120.8° |
| C5' | C7' | H13 | 109.6° | 109.4° |
| C5' | C7' | H14 | 109.5° | 109.5° |
| C5' | C6' | N1' | 126.0° | 119.2° |
| C5' | C6' | H15 | 117.0° | 120.4° |
| C4 | CM4 | H8 | 109.5° | 109.5° |
| C4 | CM4 | H9 | 109.5° | 109.5° |
| C4 | CM4 | H10 | 109.5° | 109.5° |
| N1' | C6' | H15 | 117.0° | 120.4° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| H8 | CM4 | H9 | 109.5° | 109.5° |
| H8 | CM4 | H10 | 109.5° | 109.4° |
| H9 | CM4 | H10 | 109.5° | 109.5° |
| H13 | C7' | H14 | 109.5° | 109.5° |
| H16 | CM2 | H17 | 109.5° | 109.5° |
| H16 | CM2 | H18 | 109.4° | 109.5° |
| H17 | CM2 | H18 | 109.5° | 109.5° |
| H19 | N4' | H20 | 109.5° | 120.0° |
| H21 | C9 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1B | PB | O2B | O3A | 113.6° | 120.0° |
| O1B | PB | O2B | O3B | 128.9° | 120.0° |
| O1B | PB | O3A | O3B | 116.4° | 120.0° |
| O1B | PB | O3A | PA | 131.7° | 45.0° |
| O1B | PB | O3B | H1 | 0.0° | 60.0° |
| O1B | PB | O2B | H2 | 0.0° | 180.0° |
| O9 | C8 | C9 | C2 | 113.7° | 120.0° |
| O9 | C8 | C9 | H11 | 115.0° | 120.0° |
| O9 | C8 | C9 | O10 | 168.7° | 65.0° |
| O9 | C8 | C2 | H11 | 121.0° | 120.0° |
| O9 | C8 | C2 | S1 | 75.2° | 44.9° |
| O9 | C8 | C2 | C3 | 114.8° | 135.3° |
| O9 | C8 | C9 | H21 | 49.5° | 175.0° |
| O9 | C8 | C9 | H22 | 72.1° | 55.0° |
| O2B | PB | O3A | O3B | 118.9° | 120.0° |
| O2B | PB | O3A | PA | 103.7° | 74.9° |
| O2B | PB | O3B | H1 | 132.5° | 60.0° |
| PB | O3A | PA | O1A | 170.0° | 40.1° |
| PB | O3A | PA | O2A | 39.9° | 79.9° |
| PB | O3A | PA | O7 | 70.3° | 160.0° |
| O3A | PB | O3B | H1 | 109.2° | 180.0° |
| O3A | PB | O2B | H2 | 113.6° | 60.0° |
| O3B | PB | O3A | PA | 15.3° | 165.0° |
| O3B | PB | O2B | H2 | 128.9° | 60.0° |
| O3A | PA | O1A | O2A | 124.2° | 120.0° |
| O3A | PA | O1A | O7 | 115.4° | 120.0° |
| O3A | PA | O2A | O7 | 110.9° | 120.0° |
| O3A | PA | O7 | C7 | 73.6° | 175.0° |
| O3A | PA | O2A | H3 | 124.6° | 60.0° |
| C8 | C9 | O10 | H21 | 119.2° | 120.0° |
| C8 | C9 | O10 | H22 | 119.2° | 120.0° |
| C9 | C8 | C2 | H11 | 132.0° | 120.0° |
| C9 | C8 | C2 | S1 | 31.8° | 75.0° |
| C9 | C8 | C2 | C3 | 138.2° | 104.8° |
| C9 | C8 | O9 | H12 | 180.0° | 60.0° |
| C8 | C9 | H21 | H22 | 122.4° | 120.0° |
| C8 | C9 | O10 | H23 | 180.0° | 180.0° |
| O10 | C9 | C8 | C2 | 55.0° | 175.0° |
| O10 | C9 | C8 | H11 | 76.3° | 55.0° |
| O10 | C9 | H21 | H22 | 122.4° | 120.0° |
| N4' | C4' | N3' | C5' | 169.0° | 179.5° |
| N4' | C4' | N3' | C2' | 173.5° | 180.0° |
| N4' | C4' | C5' | C7' | 3.1° | 0.3° |
| N4' | C4' | C5' | C6' | 174.5° | 180.0° |
| C4' | N4' | H19 | H20 | 120.0° | 179.9° |
| C8 | C2 | S1 | C3 | 172.4° | 179.8° |
| C8 | C2 | S1 | C5 | 167.8° | 180.0° |
| C8 | C2 | C3 | C7' | 15.6° | 0.2° |
| C8 | C2 | C3 | C4 | 166.5° | 179.9° |
| C2 | C8 | O9 | H12 | 58.6° | 60.0° |
| C2 | C8 | C9 | H21 | 64.2° | 55.0° |
| C2 | C8 | C9 | H22 | 174.2° | 65.0° |
| O1A | PA | O2A | O7 | 124.4° | 120.0° |
| O1A | PA | O7 | C7 | 44.3° | 55.0° |
| O1A | PA | O2A | H3 | 0.0° | 180.0° |
| C2 | S1 | C5 | C6 | 176.9° | 180.0° |
| C2 | S1 | C5 | C4 | 4.4° | 0.3° |
| S1 | C2 | C3 | C7' | 174.0° | 180.0° |
| S1 | C2 | C3 | C4 | 3.9° | 0.1° |
| S1 | C2 | C8 | H11 | 163.8° | 165.0° |
| C5 | S1 | C2 | C3 | 4.6° | 0.2° |
| S1 | C5 | C6 | C7 | 61.2° | 90.3° |
| S1 | C5 | C6 | C4 | 178.6° | 179.7° |
| S1 | C5 | C4 | C3 | 2.9° | 0.3° |
| S1 | C5 | C4 | CM4 | 175.4° | 179.7° |
| S1 | C5 | C6 | H6 | 179.0° | 149.7° |
| S1 | C5 | C6 | H7 | 58.6° | 29.7° |
| O2A | PA | O7 | C7 | 173.1° | 64.9° |
| PA | O7 | C7 | C6 | 177.5° | 180.0° |
| O7 | PA | O2A | H3 | 124.4° | 60.0° |
| PA | O7 | C7 | H4 | 58.1° | 60.0° |
| PA | O7 | C7 | H5 | 63.2° | 60.0° |
| C4' | N3' | C2' | CM2 | 179.6° | 179.7° |
| C4' | N3' | C2' | N1' | 0.2° | 0.2° |
| N3' | C4' | C5' | C7' | 170.9° | 179.8° |
| N3' | C4' | C5' | C6' | 6.7° | 0.5° |
| N3' | C4' | N4' | H19 | 0.0° | 5.5° |
| N3' | C4' | N4' | H20 | 120.0° | 174.4° |
| C2' | N3' | C4' | C5' | 4.6° | 0.5° |
| N3' | C2' | CM2 | N1' | 179.8° | 180.0° |
| N3' | C2' | N1' | C6' | 1.2° | 0.0° |
| N3' | C2' | CM2 | H16 | 0.0° | 90.0° |
| N3' | C2' | CM2 | H17 | 120.0° | 30.1° |
| N3' | C2' | CM2 | H18 | 120.0° | 150.0° |
| C2 | C3 | C4 | C5 | 0.8° | 0.1° |
| C2 | C3 | C7' | C4 | 177.7° | 179.9° |
| C2 | C3 | C7' | C5' | 107.9° | 87.7° |
| C2 | C3 | C4 | CM4 | 172.6° | 179.9° |
| C3 | C2 | C8 | H11 | 6.3° | 15.2° |
| C2 | C3 | C7' | H13 | 132.1° | 152.3° |
| C2 | C3 | C7' | H14 | 12.0° | 32.2° |
| C4' | C5' | C7' | C3 | 67.7° | 174.7° |
| C4' | C5' | C7' | C6' | 177.1° | 179.7° |
| C4' | C5' | C6' | N1' | 5.3° | 0.3° |
| C4' | C5' | C7' | H13 | 172.3° | 65.3° |
| C4' | C5' | C7' | H14 | 52.2° | 54.8° |
| C4' | C5' | C6' | H15 | 174.7° | 179.8° |
| C5' | C4' | N4' | H19 | 169.2° | 174.0° |
| C5' | C4' | N4' | H20 | 49.2° | 6.1° |
| O7 | C7 | C6 | H4 | 119.3° | 120.0° |
| O7 | C7 | C6 | H5 | 119.4° | 120.0° |
| O7 | C7 | C6 | C5 | 179.9° | 180.0° |
| O7 | C7 | H4 | H5 | 121.9° | 120.0° |
| O7 | C7 | C6 | H6 | 60.3° | 60.1° |
| O7 | C7 | C6 | H7 | 60.1° | 60.0° |
| C7 | C6 | C5 | H6 | 119.8° | 120.0° |
| C7 | C6 | C5 | H7 | 119.8° | 120.0° |
| C7 | C6 | C5 | C4 | 117.4° | 90.0° |
| C6 | C7 | H4 | H5 | 121.9° | 120.0° |
| C7 | C6 | H6 | H7 | 120.6° | 120.0° |
| CM2 | C2' | N1' | C6' | 178.9° | 180.0° |
| C2' | CM2 | H16 | H17 | 120.0° | 120.0° |
| C2' | CM2 | H16 | H18 | 120.0° | 120.0° |
| C2' | CM2 | H17 | H18 | 120.0° | 120.0° |
| C2' | N1' | C6' | C5' | 1.7° | 0.0° |
| C2' | N1' | C6' | H15 | 178.3° | 180.0° |
| N1' | C2' | CM2 | H16 | 179.8° | 90.0° |
| N1' | C2' | CM2 | H17 | 59.8° | 150.0° |
| N1' | C2' | CM2 | H18 | 60.2° | 30.0° |
| C6 | C5 | C4 | C3 | 178.5° | 180.0° |
| C6 | C5 | C4 | CM4 | 6.0° | 0.0° |
| C5 | C6 | C7 | H4 | 60.6° | 60.0° |
| C5 | C6 | C7 | H5 | 60.7° | 60.0° |
| C5 | C6 | H6 | H7 | 120.6° | 120.0° |
| C5 | C4 | C3 | C7' | 177.1° | 179.8° |
| C5 | C4 | C3 | CM4 | 173.4° | 180.0° |
| C4 | C5 | C6 | H6 | 2.4° | 30.0° |
| C4 | C5 | C6 | H7 | 122.8° | 150.0° |
| C5 | C4 | CM4 | H8 | 85.1° | 85.8° |
| C5 | C4 | CM4 | H9 | 154.9° | 154.2° |
| C5 | C4 | CM4 | H10 | 34.9° | 34.2° |
| C3 | C7' | C5' | H13 | 119.9° | 120.0° |
| C3 | C7' | C5' | H14 | 120.0° | 120.0° |
| C3 | C7' | C5' | C6' | 115.1° | 5.6° |
| C7' | C3 | C4 | CM4 | 9.5° | 0.3° |
| C3 | C7' | H13 | H14 | 120.2° | 120.0° |
| C4 | C3 | C7' | C5' | 69.8° | 92.1° |
| C3 | C4 | CM4 | H8 | 86.7° | 94.2° |
| C3 | C4 | CM4 | H9 | 33.3° | 25.8° |
| C3 | C4 | CM4 | H10 | 153.3° | 145.8° |
| C4 | C3 | C7' | H13 | 50.1° | 27.9° |
| C4 | C3 | C7' | H14 | 170.2° | 147.9° |
| C7' | C5' | C6' | N1' | 172.1° | 180.0° |
| C5' | C7' | H13 | H14 | 120.1° | 120.0° |
| C7' | C5' | C6' | H15 | 7.9° | 0.1° |
| C5' | C6' | N1' | H15 | 180.0° | 179.9° |
| C6' | C5' | C7' | H13 | 4.8° | 114.4° |
| C6' | C5' | C7' | H14 | 124.9° | 125.5° |
| C4 | CM4 | H8 | H9 | 120.0° | 120.0° |
| C4 | CM4 | H8 | H10 | 120.0° | 120.0° |
| C4 | CM4 | H9 | H10 | 120.0° | 120.0° |
| H4 | C7 | C6 | H6 | 179.6° | 180.0° |
| H4 | C7 | C6 | H7 | 59.2° | 60.0° |
| H5 | C7 | C6 | H6 | 59.1° | 59.9° |
| H5 | C7 | C6 | H7 | 179.5° | 180.0° |
| H8 | CM4 | H9 | H10 | 120.0° | 120.0° |
| H11 | C8 | O9 | H12 | 63.0° | 179.9° |
| H11 | C8 | C9 | H21 | 164.5° | 65.0° |
| H11 | C8 | C9 | H22 | 42.8° | 175.0° |
| H16 | CM2 | H17 | H18 | 120.0° | 120.0° |
| H21 | C9 | O10 | H23 | 60.8° | 60.0° |
| H22 | C9 | O10 | H23 | 60.8° | 60.0° |
