EJH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | doub | 1.22Å | 1.18Å | |
| C2 | N3 | sing | 1.35Å | 1.33Å | |
| C2 | N1 | sing | 1.35Å | 1.32Å | |
| N3 | C4 | sing | 1.35Å | 1.32Å | |
| C2' | C1' | sing | 1.54Å | 1.30Å | |
| C2' | C3' | sing | 1.55Å | 1.51Å | |
| C1' | N1 | sing | 1.46Å | 1.47Å | |
| C1' | O4' | sing | 1.44Å | 1.60Å | |
| N1 | C6 | sing | 1.37Å | 1.33Å | |
| C4 | O4 | doub | 1.22Å | 1.18Å | |
| C4 | C5 | sing | 1.42Å | 1.38Å | |
| O3' | C3' | sing | 1.43Å | 1.38Å | |
| C3' | C4' | sing | 1.55Å | 1.56Å | |
| O4' | C4' | sing | 1.45Å | 1.25Å | |
| C6 | C5 | doub | 1.35Å | 1.39Å | |
| C5 | C7 | sing | 1.51Å | 1.53Å | |
| C4' | C5' | sing | 1.53Å | 1.58Å | |
| O2B | PB | doub | 1.48Å | 1.51Å | |
| C5' | O5' | sing | 1.43Å | 1.41Å | |
| O5' | PA | sing | 1.61Å | 1.64Å | |
| O3A | PB | sing | 1.61Å | 1.63Å | |
| O3A | PA | sing | 1.61Å | 1.63Å | |
| PB | O1B | sing | 1.61Å | 1.50Å | |
| PB | C3B | sing | 1.82Å | 1.86Å | |
| PA | O2A | doub | 1.48Å | 1.50Å | |
| PA | O1A | sing | 1.61Å | 1.50Å | |
| CL1 | C3B | sing | 1.80Å | 1.77Å | |
| C3B | PG | sing | 1.82Å | 1.85Å | |
| PG | O3G | doub | 1.48Å | 1.51Å | |
| PG | O1G | sing | 1.61Å | 1.51Å | |
| PG | O2G | sing | 1.61Å | 1.51Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| N3 | H5 | sing | 0.97Å | 1.00Å | |
| C1' | H6 | sing | 1.09Å | 1.10Å | |
| O1A | H7 | sing | 0.97Å | 0.95Å | |
| O1G | H8 | sing | 0.97Å | 0.95Å | |
| C2' | H9 | sing | 1.09Å | 1.10Å | |
| C2' | H10 | sing | 1.09Å | 1.10Å | |
| O1B | H11 | sing | 0.97Å | 0.95Å | |
| O2G | H12 | sing | 0.97Å | 0.95Å | |
| C3' | H13 | sing | 1.09Å | 1.10Å | |
| O3' | H14 | sing | 0.97Å | 0.95Å | |
| C3B | H15 | sing | 1.09Å | 1.10Å | |
| C4' | H16 | sing | 1.09Å | 1.10Å | |
| C5' | H17 | sing | 1.09Å | 1.10Å | |
| C5' | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | N3 | 119.3° | 119.5° |
| O2 | C2 | N1 | 118.4° | 119.5° |
| N3 | C2 | N1 | 122.3° | 121.0° |
| C2 | N3 | C4 | 120.1° | 120.2° |
| C2 | N3 | H5 | 120.0° | 119.8° |
| C2 | N1 | C1' | 117.5° | 119.7° |
| C2 | N1 | C6 | 120.5° | 120.6° |
| N3 | C4 | O4 | 119.2° | 120.3° |
| N3 | C4 | C5 | 119.8° | 119.4° |
| C4 | N3 | H5 | 119.9° | 119.9° |
| C1' | C2' | C3' | 105.0° | 104.1° |
| C2' | C1' | N1 | 111.2° | 110.4° |
| C2' | C1' | O4' | 106.3° | 104.8° |
| C2' | C1' | H6 | 112.4° | 110.5° |
| C1' | C2' | H9 | 110.6° | 110.5° |
| C1' | C2' | H10 | 110.6° | 110.5° |
| C2' | C3' | O3' | 113.5° | 110.5° |
| C2' | C3' | C4' | 100.5° | 104.1° |
| C3' | C2' | H9 | 110.6° | 110.5° |
| C3' | C2' | H10 | 110.6° | 110.5° |
| C2' | C3' | H13 | 109.5° | 110.5° |
| N1 | C1' | O4' | 109.3° | 110.4° |
| C1' | N1 | C6 | 122.0° | 119.7° |
| N1 | C1' | H6 | 109.5° | 110.4° |
| C1' | O4' | C4' | 108.0° | 105.3° |
| O4' | C1' | H6 | 107.9° | 110.3° |
| N1 | C6 | C5 | 119.2° | 119.7° |
| N1 | C6 | H1 | 120.4° | 120.2° |
| O4 | C4 | C5 | 120.9° | 120.3° |
| C4 | C5 | C6 | 118.1° | 119.1° |
| C4 | C5 | C7 | 121.1° | 120.4° |
| O3' | C3' | C4' | 112.5° | 110.5° |
| O3' | C3' | H13 | 111.4° | 110.6° |
| C3' | O3' | H14 | 109.5° | 114.0° |
| C3' | C4' | O4' | 103.5° | 104.8° |
| C3' | C4' | C5' | 113.2° | 110.4° |
| C4' | C3' | H13 | 108.9° | 110.5° |
| C3' | C4' | H16 | 109.2° | 110.4° |
| O4' | C4' | C5' | 107.8° | 110.4° |
| O4' | C4' | H16 | 114.2° | 110.4° |
| C6 | C5 | C7 | 120.8° | 120.5° |
| C5 | C6 | H1 | 120.4° | 120.1° |
| C5 | C7 | H2 | 109.5° | 109.5° |
| C5 | C7 | H3 | 109.5° | 109.5° |
| C5 | C7 | H4 | 109.5° | 109.5° |
| C4' | C5' | O5' | 107.5° | 109.4° |
| C5' | C4' | H16 | 108.9° | 110.4° |
| C4' | C5' | H17 | 109.9° | 109.4° |
| C4' | C5' | H18 | 109.9° | 109.5° |
| O2B | PB | O3A | 105.0° | 109.4° |
| O2B | PB | O1B | 114.8° | 109.5° |
| O2B | PB | C3B | 105.0° | 109.5° |
| C5' | O5' | PA | 115.9° | 123.0° |
| O5' | C5' | H17 | 110.0° | 109.5° |
| O5' | C5' | H18 | 110.0° | 109.5° |
| O5' | PA | O3A | 108.1° | 109.4° |
| O5' | PA | O2A | 111.6° | 109.4° |
| O5' | PA | O1A | 107.6° | 109.5° |
| PB | O3A | PA | 131.6° | 134.0° |
| O3A | PB | O1B | 111.2° | 109.5° |
| O3A | PB | C3B | 110.0° | 109.4° |
| O3A | PA | O2A | 104.0° | 109.5° |
| O3A | PA | O1A | 112.5° | 109.5° |
| O1B | PB | C3B | 110.5° | 109.5° |
| PB | O1B | H11 | 109.5° | 113.9° |
| PB | C3B | CL1 | 107.8° | 109.5° |
| PB | C3B | PG | 108.4° | 109.5° |
| PB | C3B | H15 | 109.9° | 109.5° |
| O2A | PA | O1A | 112.9° | 109.5° |
| PA | O1A | H7 | 109.5° | 114.0° |
| CL1 | C3B | PG | 109.7° | 109.5° |
| CL1 | C3B | H15 | 110.9° | 109.5° |
| C3B | PG | O3G | 108.0° | 109.5° |
| C3B | PG | O1G | 108.1° | 109.4° |
| C3B | PG | O2G | 110.9° | 109.5° |
| PG | C3B | H15 | 110.1° | 109.5° |
| O3G | PG | O1G | 110.8° | 109.5° |
| O3G | PG | O2G | 111.0° | 109.5° |
| O1G | PG | O2G | 108.0° | 109.5° |
| PG | O1G | H8 | 109.5° | 114.1° |
| PG | O2G | H12 | 109.5° | 114.0° |
| H2 | C7 | H3 | 109.4° | 109.5° |
| H2 | C7 | H4 | 109.4° | 109.4° |
| H3 | C7 | H4 | 109.5° | 109.5° |
| H9 | C2' | H10 | 109.5° | 110.6° |
| H17 | C5' | H18 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | N3 | N1 | 179.3° | 179.7° |
| O2 | C2 | N3 | C4 | 179.4° | 179.7° |
| O2 | C2 | N1 | C1' | 2.0° | 0.3° |
| O2 | C2 | N1 | C6 | 179.4° | 179.7° |
| O2 | C2 | N3 | H5 | 0.6° | 0.2° |
| C2 | N3 | C4 | H5 | 180.0° | 180.0° |
| N3 | C2 | N1 | C1' | 178.7° | 180.0° |
| N3 | C2 | N1 | C6 | 0.1° | 0.0° |
| C2 | N3 | C4 | O4 | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.1° | 0.0° |
| N1 | C2 | N3 | C4 | 0.2° | 0.0° |
| C2 | N1 | C1' | C2' | 96.3° | 61.8° |
| C2 | N1 | C1' | C6 | 178.6° | 180.0° |
| C2 | N1 | C1' | O4' | 146.7° | 53.6° |
| C2 | N1 | C6 | C5 | 0.1° | 0.1° |
| C2 | N1 | C6 | H1 | 179.9° | 180.0° |
| N1 | C2 | N3 | H5 | 179.8° | 179.9° |
| C2 | N1 | C1' | H6 | 28.6° | 175.8° |
| N3 | C4 | O4 | C5 | 179.9° | 180.0° |
| N3 | C4 | C5 | C6 | 0.1° | 0.1° |
| N3 | C4 | C5 | C7 | 179.5° | 180.0° |
| C1' | C2' | C3' | H9 | 119.3° | 118.7° |
| C1' | C2' | C3' | H10 | 119.3° | 118.6° |
| C2' | C1' | N1 | O4' | 117.0° | 115.4° |
| C2' | C1' | N1 | H6 | 124.9° | 122.4° |
| C2' | C1' | O4' | H6 | 120.8° | 118.9° |
| C2' | C1' | N1 | C6 | 82.3° | 118.1° |
| C1' | C2' | C3' | O3' | 157.6° | 118.6° |
| C1' | C2' | C3' | C4' | 37.2° | 0.0° |
| C2' | C1' | O4' | C4' | 4.2° | 40.5° |
| C1' | C2' | H9 | H10 | 122.1° | 122.6° |
| C1' | C2' | C3' | H13 | 77.3° | 118.6° |
| C3' | C2' | C1' | N1 | 96.8° | 142.8° |
| C3' | C2' | C1' | O4' | 22.1° | 23.9° |
| C2' | C3' | O3' | C4' | 113.3° | 114.6° |
| C2' | C3' | O3' | H13 | 124.2° | 122.7° |
| C2' | C3' | C4' | H13 | 115.0° | 118.6° |
| C2' | C3' | C4' | O4' | 40.0° | 24.0° |
| C2' | C3' | C4' | C5' | 156.4° | 142.8° |
| C3' | C2' | C1' | H6 | 140.0° | 94.8° |
| C3' | C2' | H9 | H10 | 122.1° | 122.7° |
| C2' | C3' | O3' | H14 | 144.7° | 61.4° |
| C2' | C3' | C4' | H16 | 82.1° | 94.9° |
| N1 | C1' | O4' | H6 | 119.1° | 122.2° |
| N1 | C1' | O4' | C4' | 124.4° | 159.3° |
| C1' | N1 | C6 | C5 | 178.5° | 180.0° |
| C1' | N1 | C6 | H1 | 1.5° | 0.0° |
| N1 | C1' | C2' | H9 | 144.0° | 98.5° |
| N1 | C1' | C2' | H10 | 22.5° | 24.2° |
| O4' | C1' | N1 | C6 | 34.7° | 126.4° |
| C1' | O4' | C4' | C3' | 27.3° | 40.5° |
| C1' | O4' | C4' | C5' | 147.4° | 159.3° |
| O4' | C1' | C2' | H9 | 97.1° | 142.6° |
| O4' | C1' | C2' | H10 | 141.4° | 94.7° |
| C1' | O4' | C4' | H16 | 91.4° | 78.4° |
| N1 | C6 | C5 | C4 | 0.2° | 0.1° |
| N1 | C6 | C5 | H1 | 180.0° | 180.0° |
| N1 | C6 | C5 | C7 | 179.5° | 180.0° |
| C6 | N1 | C1' | H6 | 152.8° | 4.3° |
| O4 | C4 | C5 | C6 | 179.8° | 180.0° |
| O4 | C4 | C5 | C7 | 0.6° | 0.0° |
| O4 | C4 | N3 | H5 | 0.0° | 0.0° |
| C4 | C5 | C6 | C7 | 179.6° | 180.0° |
| C4 | C5 | C6 | H1 | 179.9° | 179.9° |
| C4 | C5 | C7 | H2 | 180.0° | 0.1° |
| C4 | C5 | C7 | H3 | 60.0° | 120.0° |
| C4 | C5 | C7 | H4 | 60.0° | 120.0° |
| C5 | C4 | N3 | H5 | 179.9° | 179.9° |
| O3' | C3' | C4' | H13 | 124.0° | 122.7° |
| O3' | C3' | C4' | O4' | 161.0° | 142.6° |
| O3' | C3' | C4' | C5' | 82.6° | 98.6° |
| O3' | C3' | C2' | H9 | 38.3° | 0.0° |
| O3' | C3' | C2' | H10 | 83.1° | 122.7° |
| O3' | C3' | C4' | H16 | 39.0° | 23.7° |
| C3' | C4' | O4' | C5' | 120.2° | 118.8° |
| C3' | C4' | O4' | H16 | 118.7° | 118.8° |
| C3' | C4' | C5' | H16 | 121.7° | 122.3° |
| C3' | C4' | C5' | O5' | 61.0° | 175.0° |
| C4' | C3' | C2' | H9 | 82.1° | 118.7° |
| C4' | C3' | C2' | H10 | 156.5° | 118.6° |
| C4' | C3' | O3' | H14 | 102.1° | 176.1° |
| C3' | C4' | C5' | H17 | 179.3° | 55.0° |
| C3' | C4' | C5' | H18 | 58.7° | 65.0° |
| O4' | C4' | C5' | H16 | 124.4° | 122.3° |
| O4' | C4' | C5' | O5' | 52.8° | 69.6° |
| C4' | O4' | C1' | H6 | 116.5° | 78.4° |
| O4' | C4' | C3' | H13 | 75.0° | 94.7° |
| O4' | C4' | C5' | H17 | 66.9° | 170.4° |
| O4' | C4' | C5' | H18 | 172.6° | 50.4° |
| C6 | C5 | C7 | H2 | 0.4° | 180.0° |
| C6 | C5 | C7 | H3 | 119.6° | 60.0° |
| C6 | C5 | C7 | H4 | 120.4° | 60.1° |
| C7 | C5 | C6 | H1 | 0.5° | 0.0° |
| C5 | C7 | H2 | H3 | 120.0° | 120.1° |
| C5 | C7 | H2 | H4 | 120.0° | 120.0° |
| C5 | C7 | H3 | H4 | 120.0° | 120.0° |
| C4' | C5' | O5' | H17 | 119.7° | 120.0° |
| C4' | C5' | O5' | H18 | 119.7° | 120.0° |
| C4' | C5' | O5' | PA | 133.6° | 180.0° |
| C5' | C4' | C3' | H13 | 41.4° | 24.2° |
| C4' | C5' | H17 | H18 | 120.9° | 120.0° |
| O2B | PB | O3A | O1B | 124.8° | 120.0° |
| O2B | PB | O3A | C3B | 112.5° | 120.0° |
| O2B | PB | O3A | PA | 140.6° | 60.0° |
| O2B | PB | O1B | C3B | 118.5° | 120.0° |
| O2B | PB | C3B | CL1 | 89.2° | 180.0° |
| O2B | PB | C3B | PG | 152.1° | 60.1° |
| O2B | PB | O1B | H11 | 0.0° | 180.0° |
| O2B | PB | C3B | H15 | 31.7° | 59.9° |
| C5' | O5' | PA | O3A | 68.2° | 175.0° |
| C5' | O5' | PA | O2A | 178.0° | 55.0° |
| C5' | O5' | PA | O1A | 53.6° | 65.0° |
| O5' | C5' | C4' | H16 | 177.3° | 52.7° |
| O5' | C5' | H17 | H18 | 120.9° | 120.0° |
| O5' | PA | O3A | PB | 108.4° | 165.0° |
| O5' | PA | O3A | O2A | 118.7° | 120.0° |
| O5' | PA | O3A | O1A | 118.7° | 120.0° |
| O5' | PA | O2A | O1A | 121.4° | 120.0° |
| O5' | PA | O1A | H7 | 123.6° | 60.0° |
| PA | O5' | C5' | H17 | 106.7° | 60.0° |
| PA | O5' | C5' | H18 | 13.9° | 60.0° |
| O3A | PB | O1B | C3B | 122.5° | 120.0° |
| PB | O3A | PA | O2A | 132.9° | 45.0° |
| PB | O3A | PA | O1A | 10.3° | 75.0° |
| O3A | PB | C3B | CL1 | 23.3° | 60.0° |
| O3A | PB | C3B | PG | 95.4° | 180.0° |
| O3A | PB | O1B | H11 | 119.1° | 60.0° |
| O3A | PB | C3B | H15 | 144.3° | 60.0° |
| PA | O3A | PB | O1B | 15.8° | 60.0° |
| PA | O3A | PB | C3B | 107.0° | 180.0° |
| O3A | PA | O2A | O1A | 122.3° | 120.0° |
| O3A | PA | O1A | H7 | 117.4° | 60.0° |
| O1B | PB | C3B | CL1 | 146.5° | 60.0° |
| O1B | PB | C3B | PG | 27.8° | 60.0° |
| O1B | PB | C3B | H15 | 92.6° | 180.0° |
| PB | C3B | CL1 | PG | 117.8° | 120.0° |
| PB | C3B | CL1 | H15 | 120.4° | 120.0° |
| PB | C3B | PG | H15 | 120.3° | 120.0° |
| PB | C3B | PG | O3G | 82.1° | 60.0° |
| PB | C3B | PG | O1G | 37.8° | 60.0° |
| PB | C3B | PG | O2G | 156.1° | 180.0° |
| C3B | PB | O1B | H11 | 118.5° | 60.0° |
| O2A | PA | O1A | H7 | 0.0° | 179.9° |
| CL1 | C3B | PG | H15 | 122.3° | 120.0° |
| CL1 | C3B | PG | O3G | 160.4° | 60.0° |
| CL1 | C3B | PG | O1G | 79.7° | 180.0° |
| CL1 | C3B | PG | O2G | 38.6° | 60.0° |
| C3B | PG | O3G | O1G | 118.2° | 120.0° |
| C3B | PG | O3G | O2G | 121.7° | 120.1° |
| C3B | PG | O1G | O2G | 120.1° | 120.0° |
| C3B | PG | O1G | H8 | 118.1° | 60.0° |
| C3B | PG | O2G | H12 | 120.0° | 180.0° |
| O3G | PG | O1G | O2G | 121.8° | 120.0° |
| O3G | PG | O1G | H8 | 0.0° | 180.0° |
| O3G | PG | O2G | H12 | 0.0° | 60.0° |
| O3G | PG | C3B | H15 | 38.2° | 180.0° |
| O1G | PG | O2G | H12 | 121.7° | 60.0° |
| O1G | PG | C3B | H15 | 158.1° | 60.0° |
| O2G | PG | O1G | H8 | 121.9° | 60.0° |
| O2G | PG | C3B | H15 | 83.7° | 60.0° |
| H2 | C7 | H3 | H4 | 119.9° | 119.9° |
| H6 | C1' | C2' | H9 | 20.7° | 23.8° |
| H6 | C1' | C2' | H10 | 100.8° | 146.5° |
| H9 | C2' | C3' | H13 | 163.5° | 122.7° |
| H10 | C2' | C3' | H13 | 42.0° | 0.0° |
| H13 | C3' | O3' | H14 | 20.5° | 61.3° |
| H13 | C3' | C4' | H16 | 162.9° | 146.5° |
| H16 | C4' | C5' | H17 | 57.5° | 67.3° |
| H16 | C4' | C5' | H18 | 63.0° | 172.7° |
