TAE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1' | N1 | sing | 1.46Å | 1.47Å | |
| C6 | N1 | sing | 1.37Å | 1.40Å | |
| N1 | C2 | sing | 1.35Å | 1.40Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| C2 | N3 | sing | 1.35Å | 1.40Å | |
| C4 | N3 | sing | 1.35Å | 1.40Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C5 | C4 | sing | 1.42Å | 1.39Å | |
| C4 | O4 | doub | 1.22Å | 1.23Å | |
| C6 | C5 | doub | 1.35Å | 1.39Å | |
| C5M | C5 | sing | 1.51Å | 1.52Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| O3A | PA | sing | 1.61Å | 1.60Å | |
| O1A | PA | doub | 1.48Å | 1.48Å | |
| PA | O2A | sing | 1.61Å | 1.48Å | |
| PA | C4' | sing | 1.82Å | 1.82Å | |
| O3B | PB | doub | 1.48Å | 1.62Å | |
| O2B | PB | sing | 1.61Å | 1.48Å | |
| PB | O1B | sing | 1.61Å | 1.61Å | |
| PB | O3A | sing | 1.61Å | 1.60Å | |
| C1' | C2' | sing | 1.51Å | 1.38Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C1' | H1'A | sing | 1.09Å | 1.10Å | |
| O1B | HO1B | sing | 0.97Å | 0.95Å | |
| C3' | C2' | doub | 1.31Å | 1.38Å | |
| C2' | H2' | sing | 1.08Å | 1.08Å | |
| O2A | HO2A | sing | 0.97Å | 0.95Å | |
| O2B | HO2B | sing | 0.97Å | 0.95Å | |
| C3' | C4' | sing | 1.51Å | 1.39Å | |
| C3' | H3' | sing | 1.08Å | 1.08Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C4' | H4'A | sing | 1.09Å | 1.10Å | |
| C5M | H5M | sing | 1.09Å | 1.10Å | |
| C5M | H5MA | sing | 1.09Å | 1.10Å | |
| C5M | H5MB | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1' | N1 | C6 | 119.4° | 119.7° |
| C1' | N1 | C2 | 121.0° | 119.7° |
| N1 | C1' | C2' | 109.4° | 109.5° |
| N1 | C1' | H1' | 109.5° | 109.5° |
| N1 | C1' | H1'A | 109.5° | 109.5° |
| C6 | N1 | C2 | 119.6° | 120.6° |
| N1 | C6 | C5 | 120.4° | 119.7° |
| N1 | C6 | H6 | 119.8° | 120.1° |
| N1 | C2 | O2 | 119.9° | 119.5° |
| N1 | C2 | N3 | 119.6° | 121.0° |
| O2 | C2 | N3 | 120.5° | 119.5° |
| C2 | N3 | C4 | 120.3° | 120.3° |
| C2 | N3 | HN3 | 119.8° | 119.9° |
| C4 | N3 | HN3 | 119.9° | 119.8° |
| N3 | C4 | C5 | 120.1° | 119.4° |
| N3 | C4 | O4 | 120.0° | 120.3° |
| C5 | C4 | O4 | 119.9° | 120.3° |
| C4 | C5 | C6 | 120.0° | 119.1° |
| C4 | C5 | C5M | 120.3° | 120.4° |
| C6 | C5 | C5M | 119.7° | 120.5° |
| C5 | C6 | H6 | 119.8° | 120.2° |
| C5 | C5M | H5M | 109.5° | 109.5° |
| C5 | C5M | H5MA | 109.5° | 109.5° |
| C5 | C5M | H5MB | 109.5° | 109.4° |
| O3A | PA | O1A | 109.5° | 109.4° |
| O3A | PA | O2A | 109.0° | 109.5° |
| O3A | PA | C4' | 100.8° | 109.5° |
| PA | O3A | PB | 129.4° | 134.0° |
| O1A | PA | O2A | 119.9° | 109.5° |
| O1A | PA | C4' | 106.5° | 109.5° |
| O2A | PA | C4' | 109.4° | 109.5° |
| PA | O2A | HO2A | 109.5° | 114.0° |
| PA | C4' | C3' | 110.5° | 109.4° |
| PA | C4' | H4' | 109.1° | 109.4° |
| PA | C4' | H4'A | 108.9° | 109.5° |
| O3B | PB | O2B | 114.7° | 109.5° |
| O3B | PB | O1B | 103.9° | 109.5° |
| O3B | PB | O3A | 111.1° | 109.5° |
| O2B | PB | O1B | 109.9° | 109.5° |
| O2B | PB | O3A | 110.8° | 109.5° |
| PB | O2B | HO2B | 109.5° | 114.0° |
| O1B | PB | O3A | 105.8° | 109.5° |
| PB | O1B | HO1B | 109.5° | 114.0° |
| C2' | C1' | H1' | 109.5° | 109.5° |
| C2' | C1' | H1'A | 109.5° | 109.5° |
| C1' | C2' | C3' | 120.1° | 120.0° |
| C1' | C2' | H2' | 120.0° | 120.0° |
| H1' | C1' | H1'A | 109.5° | 109.4° |
| C3' | C2' | H2' | 119.9° | 120.0° |
| C2' | C3' | C4' | 119.6° | 120.0° |
| C2' | C3' | H3' | 120.2° | 120.0° |
| C4' | C3' | H3' | 120.2° | 120.0° |
| C3' | C4' | H4' | 109.1° | 109.5° |
| C3' | C4' | H4'A | 108.9° | 109.5° |
| H4' | C4' | H4'A | 110.3° | 109.5° |
| H5M | C5M | H5MA | 109.5° | 109.5° |
| H5M | C5M | H5MB | 109.4° | 109.4° |
| H5MA | C5M | H5MB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1' | N1 | C6 | C2 | 179.1° | 179.8° |
| C1' | N1 | C2 | O2 | 0.8° | 0.2° |
| C1' | N1 | C2 | N3 | 179.4° | 179.7° |
| C1' | N1 | C6 | C5 | 179.4° | 179.7° |
| C1' | N1 | C6 | H6 | 0.7° | 0.2° |
| N1 | C1' | C2' | H1' | 120.0° | 120.0° |
| N1 | C1' | C2' | H1'A | 120.0° | 120.0° |
| N1 | C1' | H1' | H1'A | 120.0° | 120.0° |
| N1 | C1' | C2' | C3' | 132.8° | 125.0° |
| N1 | C1' | C2' | H2' | 47.1° | 55.0° |
| C6 | N1 | C2 | O2 | 179.9° | 180.0° |
| C6 | N1 | C2 | N3 | 0.4° | 0.0° |
| N1 | C6 | C5 | C4 | 0.1° | 0.0° |
| N1 | C6 | C5 | H6 | 180.0° | 179.9° |
| N1 | C6 | C5 | C5M | 179.8° | 179.9° |
| C6 | N1 | C1' | C2' | 76.2° | 90.2° |
| C6 | N1 | C1' | H1' | 163.8° | 29.8° |
| C6 | N1 | C1' | H1'A | 43.8° | 149.7° |
| N1 | C2 | O2 | N3 | 179.8° | 180.0° |
| N1 | C2 | N3 | C4 | 0.3° | 0.1° |
| N1 | C2 | N3 | HN3 | 179.7° | 180.0° |
| C2 | N1 | C6 | C5 | 0.3° | 0.0° |
| C2 | N1 | C6 | H6 | 179.7° | 180.0° |
| C2 | N1 | C1' | C2' | 102.8° | 90.0° |
| C2 | N1 | C1' | H1' | 17.2° | 150.0° |
| C2 | N1 | C1' | H1'A | 137.2° | 30.0° |
| O2 | C2 | N3 | C4 | 180.0° | 179.9° |
| O2 | C2 | N3 | HN3 | 0.1° | 0.1° |
| C2 | N3 | C4 | HN3 | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.1° | 0.1° |
| C2 | N3 | C4 | O4 | 179.9° | 180.0° |
| N3 | C4 | C5 | O4 | 180.0° | 179.9° |
| N3 | C4 | C5 | C6 | 0.0° | 0.1° |
| N3 | C4 | C5 | C5M | 179.9° | 180.0° |
| HN3 | N3 | C4 | C5 | 179.9° | 179.9° |
| HN3 | N3 | C4 | O4 | 0.1° | 0.0° |
| C4 | C5 | C6 | C5M | 179.9° | 179.9° |
| C4 | C5 | C6 | H6 | 179.9° | 179.9° |
| C4 | C5 | C5M | H5M | 146.0° | 0.1° |
| C4 | C5 | C5M | H5MA | 26.0° | 120.0° |
| C4 | C5 | C5M | H5MB | 94.0° | 120.0° |
| O4 | C4 | C5 | C6 | 180.0° | 180.0° |
| O4 | C4 | C5 | C5M | 0.1° | 0.1° |
| C6 | C5 | C5M | H5M | 33.9° | 179.9° |
| C6 | C5 | C5M | H5MA | 153.9° | 60.0° |
| C6 | C5 | C5M | H5MB | 86.1° | 60.0° |
| C5M | C5 | C6 | H6 | 0.2° | 0.0° |
| C5 | C5M | H5M | H5MA | 120.0° | 120.1° |
| C5 | C5M | H5M | H5MB | 120.0° | 119.9° |
| C5 | C5M | H5MA | H5MB | 120.0° | 120.0° |
| O3A | PA | O1A | O2A | 127.0° | 120.0° |
| O3A | PA | O1A | C4' | 108.2° | 120.0° |
| O3A | PA | O2A | C4' | 109.4° | 120.0° |
| PA | O3A | PB | O3B | 105.4° | 45.0° |
| PA | O3A | PB | O2B | 125.9° | 75.0° |
| PA | O3A | PB | O1B | 6.8° | 165.0° |
| O3A | PA | O2A | HO2A | 27.5° | 60.0° |
| O3A | PA | C4' | C3' | 91.3° | 175.0° |
| O3A | PA | C4' | H4' | 148.7° | 65.0° |
| O3A | PA | C4' | H4'A | 28.3° | 54.9° |
| O1A | PA | O2A | C4' | 123.4° | 120.0° |
| O1A | PA | O3A | PB | 20.1° | 60.0° |
| O1A | PA | O2A | HO2A | 99.7° | 180.0° |
| O1A | PA | C4' | C3' | 23.0° | 55.0° |
| O1A | PA | C4' | H4' | 97.0° | 175.0° |
| O1A | PA | C4' | H4'A | 142.5° | 65.0° |
| O2A | PA | O3A | PB | 153.1° | 60.0° |
| O2A | PA | C4' | C3' | 154.0° | 65.0° |
| O2A | PA | C4' | H4' | 34.0° | 55.0° |
| O2A | PA | C4' | H4'A | 86.4° | 175.0° |
| C4' | PA | O3A | PB | 91.8° | 180.0° |
| PA | C4' | C3' | C2' | 131.0° | 125.0° |
| C4' | PA | O2A | HO2A | 136.9° | 60.0° |
| PA | C4' | C3' | H4' | 120.0° | 119.9° |
| PA | C4' | C3' | H4'A | 119.6° | 120.0° |
| PA | C4' | C3' | H3' | 49.0° | 55.1° |
| PA | C4' | H4' | H4'A | 119.6° | 120.0° |
| O3B | PB | O2B | O1B | 116.7° | 120.0° |
| O3B | PB | O2B | O3A | 126.7° | 120.0° |
| O3B | PB | O1B | O3A | 117.1° | 120.1° |
| O3B | PB | O1B | HO1B | 124.8° | 60.0° |
| O3B | PB | O2B | HO2B | 23.7° | 179.9° |
| O2B | PB | O1B | O3A | 119.7° | 120.0° |
| O2B | PB | O1B | HO1B | 111.9° | 60.0° |
| O1B | PB | O2B | HO2B | 92.9° | 59.9° |
| O3A | PB | O1B | HO1B | 7.7° | 180.0° |
| O3A | PB | O2B | HO2B | 150.5° | 60.1° |
| C2' | C1' | H1' | H1'A | 120.0° | 120.0° |
| C1' | C2' | C3' | H2' | 180.0° | 180.0° |
| C1' | C2' | C3' | C4' | 180.0° | 180.0° |
| C1' | C2' | C3' | H3' | 0.0° | 0.0° |
| H1' | C1' | C2' | C3' | 107.2° | 5.0° |
| H1' | C1' | C2' | H2' | 72.9° | 175.1° |
| H1'A | C1' | C2' | C3' | 12.8° | 115.0° |
| H1'A | C1' | C2' | H2' | 167.1° | 65.0° |
| C2' | C3' | C4' | H3' | 180.0° | 179.9° |
| C2' | C3' | C4' | H4' | 11.0° | 5.1° |
| C2' | C3' | C4' | H4'A | 109.4° | 115.0° |
| H2' | C2' | C3' | C4' | 0.0° | 0.0° |
| H2' | C2' | C3' | H3' | 180.0° | 179.9° |
| C3' | C4' | H4' | H4'A | 119.6° | 120.1° |
| H3' | C3' | C4' | H4' | 169.0° | 175.0° |
| H3' | C3' | C4' | H4'A | 70.6° | 64.9° |
| H5M | C5M | H5MA | H5MB | 119.9° | 119.9° |
