TTE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.34Å | 1.34Å | |
| N1 | C6 | sing | 1.37Å | 1.36Å | |
| N1 | C1' | sing | 1.46Å | 1.39Å | |
| C2 | O2 | doub | 1.22Å | 1.24Å | |
| C2 | N3 | sing | 1.35Å | 1.33Å | |
| N3 | C4 | sing | 1.35Å | 1.35Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C4 | O4 | doub | 1.22Å | 1.20Å | |
| C4 | C5 | sing | 1.41Å | 1.50Å | |
| C5 | C5M | sing | 1.51Å | 1.49Å | |
| C5 | C6 | doub | 1.35Å | 1.34Å | |
| C5M | H5M1 | sing | 1.09Å | 1.11Å | |
| C5M | H5M2 | sing | 1.09Å | 1.12Å | |
| C5M | H5M3 | sing | 1.09Å | 1.11Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C1' | C2' | sing | 1.54Å | 1.53Å | |
| C1' | O4' | sing | 1.44Å | 1.36Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| C2' | H2'1 | sing | 1.09Å | 1.11Å | |
| C2' | H2'2 | sing | 1.09Å | 1.12Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | C4' | sing | 1.55Å | 1.48Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| O3' | HO'3 | sing | 0.97Å | 0.95Å | |
| C4' | O4' | sing | 1.45Å | 1.64Å | |
| C4' | C5' | sing | 1.53Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| C5' | O5' | sing | 1.43Å | 1.44Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| O5' | PA | sing | 1.61Å | 1.63Å | |
| PA | O1A | doub | 1.48Å | 1.60Å | |
| PA | O2A | sing | 1.61Å | 1.61Å | |
| PA | O3A | sing | 1.61Å | 1.62Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| O3A | PB | sing | 1.61Å | 1.63Å | |
| PB | O1B | doub | 1.48Å | 1.62Å | |
| PB | O2B | sing | 1.61Å | 1.60Å | |
| PB | CC | sing | 1.82Å | 1.85Å | |
| O2B | HOB2 | sing | 0.97Å | 0.95Å | |
| CC | PG | sing | 1.82Å | 1.85Å | |
| CC | HCC1 | sing | 1.09Å | 1.12Å | |
| CC | HCC2 | sing | 1.09Å | 1.12Å | |
| PG | O1G | doub | 1.48Å | 1.62Å | |
| PG | O2G | sing | 1.61Å | 1.60Å | |
| PG | O3G | sing | 1.61Å | 1.62Å | |
| O2G | HOG2 | sing | 0.97Å | 0.95Å | |
| O3G | HOG3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 118.3° | 120.6° |
| C2 | N1 | C1' | 120.8° | 119.7° |
| N1 | C2 | O2 | 119.6° | 119.6° |
| N1 | C2 | N3 | 121.9° | 120.9° |
| C6 | N1 | C1' | 120.9° | 119.7° |
| N1 | C6 | C5 | 123.2° | 119.7° |
| N1 | C6 | H6 | 119.3° | 120.1° |
| N1 | C1' | C2' | 113.7° | 109.8° |
| N1 | C1' | O4' | 113.6° | 109.9° |
| N1 | C1' | H1' | 102.2° | 109.8° |
| O2 | C2 | N3 | 118.5° | 119.5° |
| C2 | N3 | C4 | 124.2° | 120.2° |
| C2 | N3 | HN3 | 116.9° | 119.9° |
| C4 | N3 | HN3 | 118.9° | 119.9° |
| N3 | C4 | O4 | 123.2° | 120.3° |
| N3 | C4 | C5 | 114.2° | 119.4° |
| O4 | C4 | C5 | 122.6° | 120.3° |
| C4 | C5 | C5M | 119.7° | 120.5° |
| C4 | C5 | C6 | 118.2° | 119.1° |
| C5M | C5 | C6 | 122.1° | 120.4° |
| C5 | C5M | H5M1 | 119.7° | 109.5° |
| C5 | C5M | H5M2 | 108.5° | 109.5° |
| C5 | C5M | H5M3 | 108.5° | 109.5° |
| C5 | C6 | H6 | 117.5° | 120.2° |
| H5M1 | C5M | H5M2 | 108.5° | 109.4° |
| H5M1 | C5M | H5M3 | 108.6° | 109.4° |
| H5M2 | C5M | H5M3 | 101.4° | 109.5° |
| C2' | C1' | O4' | 105.4° | 107.4° |
| C2' | C1' | H1' | 111.0° | 109.9° |
| C1' | C2' | C3' | 103.5° | 104.2° |
| C1' | C2' | H2'1 | 114.5° | 110.5° |
| C1' | C2' | H2'2 | 114.5° | 110.5° |
| O4' | C1' | H1' | 111.1° | 109.9° |
| C1' | O4' | C4' | 113.6° | 106.9° |
| C3' | C2' | H2'1 | 114.5° | 110.4° |
| C3' | C2' | H2'2 | 114.5° | 110.6° |
| C2' | C3' | O3' | 109.2° | 110.9° |
| C2' | C3' | C4' | 110.1° | 102.1° |
| C2' | C3' | H3' | 108.9° | 110.9° |
| H2'1 | C2' | H2'2 | 96.0° | 110.6° |
| O3' | C3' | C4' | 108.6° | 111.0° |
| O3' | C3' | H3' | 110.4° | 110.8° |
| C3' | O3' | HO'3 | 109.2° | 106.8° |
| C4' | C3' | H3' | 109.6° | 110.8° |
| C3' | C4' | O4' | 97.8° | 103.6° |
| C3' | C4' | C5' | 114.2° | 110.7° |
| C3' | C4' | H4' | 114.9° | 110.6° |
| O4' | C4' | C5' | 111.7° | 110.8° |
| O4' | C4' | H4' | 117.2° | 110.5° |
| C5' | C4' | H4' | 101.7° | 110.5° |
| C4' | C5' | O5' | 111.6° | 109.5° |
| C4' | C5' | H5'1 | 111.4° | 109.5° |
| C4' | C5' | H5'2 | 111.4° | 109.4° |
| O5' | C5' | H5'1 | 111.4° | 109.5° |
| O5' | C5' | H5'2 | 111.4° | 109.5° |
| C5' | O5' | PA | 123.8° | 106.8° |
| H5'1 | C5' | H5'2 | 99.0° | 109.5° |
| O5' | PA | O1A | 113.5° | 109.4° |
| O5' | PA | O2A | 104.3° | 109.5° |
| O5' | PA | O3A | 102.9° | 109.5° |
| O1A | PA | O2A | 118.4° | 109.5° |
| O1A | PA | O3A | 111.5° | 109.5° |
| O2A | PA | O3A | 104.7° | 109.5° |
| PA | O2A | HOA2 | 104.4° | 106.8° |
| PA | O3A | PB | 133.6° | 106.8° |
| O3A | PB | O1B | 101.5° | 109.4° |
| O3A | PB | O2B | 104.6° | 109.5° |
| O3A | PB | CC | 100.9° | 109.5° |
| O1B | PB | O2B | 106.2° | 109.5° |
| O1B | PB | CC | 102.4° | 109.5° |
| O2B | PB | CC | 136.5° | 109.5° |
| PB | O2B | HOB2 | 104.6° | 106.9° |
| PB | CC | PG | 108.5° | 109.5° |
| PB | CC | HCC1 | 112.6° | 109.4° |
| PB | CC | HCC2 | 112.6° | 109.4° |
| PG | CC | HCC1 | 112.6° | 109.5° |
| PG | CC | HCC2 | 112.6° | 109.5° |
| CC | PG | O1G | 102.0° | 109.5° |
| CC | PG | O2G | 105.5° | 109.5° |
| CC | PG | O3G | 101.4° | 109.5° |
| HCC1 | CC | HCC2 | 97.8° | 109.5° |
| O1G | PG | O2G | 104.6° | 109.4° |
| O1G | PG | O3G | 100.9° | 109.5° |
| O2G | PG | O3G | 137.8° | 109.5° |
| PG | O2G | HOG2 | 105.5° | 106.8° |
| PG | O3G | HOG3 | 101.4° | 106.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | C1' | 179.6° | 179.9° |
| N1 | C2 | O2 | N3 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.2° | 0.2° |
| N1 | C2 | N3 | HN3 | 179.9° | 180.0° |
| C2 | N1 | C6 | C5 | 0.0° | 0.0° |
| C2 | N1 | C6 | H6 | 180.0° | 180.0° |
| C2 | N1 | C1' | C2' | 129.4° | 59.7° |
| C2 | N1 | C1' | O4' | 110.1° | 58.3° |
| C2 | N1 | C1' | H1' | 9.6° | 179.3° |
| C6 | N1 | C2 | O2 | 180.0° | 180.0° |
| C6 | N1 | C2 | N3 | 0.0° | 0.1° |
| N1 | C6 | C5 | C4 | 0.2° | 0.3° |
| N1 | C6 | C5 | C5M | 179.7° | 180.0° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C6 | N1 | C1' | C2' | 50.2° | 120.3° |
| C6 | N1 | C1' | O4' | 70.3° | 121.7° |
| C6 | N1 | C1' | H1' | 169.9° | 0.6° |
| C1' | N1 | C2 | O2 | 0.4° | 0.1° |
| C1' | N1 | C2 | N3 | 179.6° | 180.0° |
| C1' | N1 | C6 | C5 | 179.6° | 180.0° |
| C1' | N1 | C6 | H6 | 0.4° | 0.0° |
| N1 | C1' | C2' | O4' | 125.1° | 119.5° |
| N1 | C1' | C2' | H1' | 114.6° | 120.9° |
| N1 | C1' | O4' | H1' | 114.6° | 121.0° |
| N1 | C1' | C2' | C3' | 96.2° | 121.5° |
| N1 | C1' | C2' | H2'1 | 138.5° | 119.9° |
| N1 | C1' | C2' | H2'2 | 29.0° | 2.8° |
| N1 | C1' | O4' | C4' | 107.9° | 145.8° |
| O2 | C2 | N3 | C4 | 179.8° | 179.8° |
| O2 | C2 | N3 | HN3 | 0.1° | 0.1° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.8° |
| C2 | N3 | C4 | O4 | 179.7° | 180.0° |
| C2 | N3 | C4 | C5 | 0.3° | 0.4° |
| N3 | C4 | O4 | C5 | 180.0° | 179.5° |
| N3 | C4 | C5 | C5M | 179.6° | 179.8° |
| N3 | C4 | C5 | C6 | 0.3° | 0.5° |
| HN3 | N3 | C4 | O4 | 0.3° | 0.2° |
| HN3 | N3 | C4 | C5 | 179.7° | 179.7° |
| O4 | C4 | C5 | C5M | 0.4° | 0.3° |
| O4 | C4 | C5 | C6 | 179.6° | 180.0° |
| C4 | C5 | C5M | C6 | 179.9° | 179.7° |
| C4 | C5 | C5M | H5M1 | 180.0° | 0.3° |
| C4 | C5 | C5M | H5M2 | 54.7° | 119.7° |
| C4 | C5 | C5M | H5M3 | 54.7° | 120.3° |
| C4 | C5 | C6 | H6 | 179.8° | 179.8° |
| C5 | C5M | H5M1 | H5M2 | 125.3° | 120.0° |
| C5 | C5M | H5M1 | H5M3 | 125.3° | 120.0° |
| C5 | C5M | H5M2 | H5M3 | 114.2° | 120.1° |
| C5M | C5 | C6 | H6 | 0.3° | 0.1° |
| C6 | C5 | C5M | H5M1 | 0.1° | 180.0° |
| C6 | C5 | C5M | H5M2 | 125.4° | 60.0° |
| C6 | C5 | C5M | H5M3 | 125.2° | 60.0° |
| H5M1 | C5M | H5M2 | H5M3 | 114.2° | 120.0° |
| C2' | C1' | O4' | H1' | 120.3° | 119.5° |
| C1' | C2' | C3' | H2'1 | 125.3° | 118.6° |
| C1' | C2' | C3' | H2'2 | 125.2° | 118.7° |
| C1' | C2' | H2'1 | H2'2 | 120.4° | 122.6° |
| C1' | C2' | C3' | O3' | 150.9° | 139.1° |
| C1' | C2' | C3' | C4' | 31.7° | 20.8° |
| C1' | C2' | C3' | H3' | 88.4° | 97.3° |
| C2' | C1' | O4' | C4' | 17.2° | 26.3° |
| O4' | C1' | C2' | C3' | 28.8° | 2.0° |
| O4' | C1' | C2' | H2'1 | 96.5° | 120.6° |
| O4' | C1' | C2' | H2'2 | 154.1° | 116.8° |
| C1' | O4' | C4' | C3' | 1.7° | 39.8° |
| C1' | O4' | C4' | C5' | 121.7° | 158.6° |
| C1' | O4' | C4' | H4' | 121.5° | 78.6° |
| H1' | C1' | C2' | C3' | 149.2° | 117.5° |
| H1' | C1' | C2' | H2'1 | 23.9° | 1.0° |
| H1' | C1' | C2' | H2'2 | 85.5° | 123.7° |
| H1' | C1' | O4' | C4' | 137.5° | 93.2° |
| C3' | C2' | H2'1 | H2'2 | 120.4° | 122.7° |
| C2' | C3' | O3' | C4' | 120.1° | 112.8° |
| C2' | C3' | O3' | H3' | 119.7° | 123.6° |
| C2' | C3' | C4' | H3' | 119.7° | 118.1° |
| C2' | C3' | O3' | HO'3 | 180.0° | 61.4° |
| C2' | C3' | C4' | O4' | 20.5° | 36.9° |
| C2' | C3' | C4' | C5' | 138.6° | 155.7° |
| C2' | C3' | C4' | H4' | 104.4° | 81.5° |
| H2'1 | C2' | C3' | O3' | 25.6° | 20.5° |
| H2'1 | C2' | C3' | C4' | 93.6° | 97.8° |
| H2'1 | C2' | C3' | H3' | 146.3° | 144.1° |
| H2'2 | C2' | C3' | O3' | 83.9° | 102.2° |
| H2'2 | C2' | C3' | C4' | 157.0° | 139.5° |
| H2'2 | C2' | C3' | H3' | 36.8° | 21.4° |
| O3' | C3' | C4' | H3' | 120.7° | 123.6° |
| O3' | C3' | C4' | O4' | 140.1° | 155.1° |
| O3' | C3' | C4' | C5' | 101.8° | 86.0° |
| O3' | C3' | C4' | H4' | 15.2° | 36.7° |
| C4' | C3' | O3' | HO'3 | 59.9° | 174.2° |
| C3' | C4' | O4' | C5' | 120.0° | 118.7° |
| C3' | C4' | O4' | H4' | 123.2° | 118.5° |
| C3' | C4' | C5' | H4' | 124.3° | 122.8° |
| C3' | C4' | C5' | O5' | 11.6° | 180.0° |
| C3' | C4' | C5' | H5'1 | 136.8° | 59.9° |
| C3' | C4' | C5' | H5'2 | 113.6° | 60.0° |
| H3' | C3' | O3' | HO'3 | 60.3° | 62.2° |
| H3' | C3' | C4' | O4' | 99.2° | 81.3° |
| H3' | C3' | C4' | C5' | 18.9° | 37.6° |
| H3' | C3' | C4' | H4' | 135.9° | 160.3° |
| O4' | C4' | C5' | H4' | 125.8° | 122.8° |
| O4' | C4' | C5' | O5' | 98.2° | 65.6° |
| O4' | C4' | C5' | H5'1 | 27.0° | 174.3° |
| O4' | C4' | C5' | H5'2 | 136.6° | 54.3° |
| C4' | C5' | O5' | H5'1 | 125.2° | 120.1° |
| C4' | C5' | O5' | H5'2 | 125.2° | 119.9° |
| C4' | C5' | H5'1 | H5'2 | 117.4° | 119.9° |
| C4' | C5' | O5' | PA | 136.4° | 180.0° |
| H4' | C4' | C5' | O5' | 136.0° | 57.2° |
| H4' | C4' | C5' | H5'1 | 98.8° | 62.9° |
| H4' | C4' | C5' | H5'2 | 10.7° | 177.1° |
| O5' | C5' | H5'1 | H5'2 | 117.3° | 120.0° |
| C5' | O5' | PA | O1A | 2.2° | 60.0° |
| C5' | O5' | PA | O2A | 132.5° | 59.9° |
| C5' | O5' | PA | O3A | 118.4° | 180.0° |
| H5'1 | C5' | O5' | PA | 98.4° | 59.9° |
| H5'2 | C5' | O5' | PA | 11.1° | 60.1° |
| O5' | PA | O1A | O2A | 122.8° | 120.0° |
| O5' | PA | O1A | O3A | 115.6° | 120.0° |
| O5' | PA | O2A | O3A | 107.8° | 120.1° |
| O5' | PA | O2A | HOA2 | 180.0° | 60.0° |
| O5' | PA | O3A | PB | 84.7° | 180.0° |
| O1A | PA | O2A | O3A | 125.0° | 120.0° |
| O1A | PA | O2A | HOA2 | 52.7° | 180.0° |
| O1A | PA | O3A | PB | 37.3° | 60.1° |
| O2A | PA | O3A | PB | 166.5° | 59.9° |
| O3A | PA | O2A | HOA2 | 72.2° | 60.0° |
| PA | O3A | PB | O1B | 115.8° | 60.0° |
| PA | O3A | PB | O2B | 5.5° | 60.0° |
| PA | O3A | PB | CC | 139.0° | 180.0° |
| O3A | PB | O1B | O2B | 109.1° | 120.0° |
| O3A | PB | O1B | CC | 104.1° | 120.0° |
| O3A | PB | O2B | CC | 124.0° | 120.0° |
| O3A | PB | O2B | HOB2 | 180.0° | 60.1° |
| O3A | PB | CC | PG | 64.0° | 180.0° |
| O3A | PB | CC | HCC1 | 170.7° | 59.9° |
| O3A | PB | CC | HCC2 | 61.3° | 60.0° |
| O1B | PB | O2B | CC | 129.1° | 120.0° |
| O1B | PB | O2B | HOB2 | 73.2° | 180.0° |
| O1B | PB | CC | PG | 168.4° | 60.0° |
| O1B | PB | CC | HCC1 | 66.3° | 60.0° |
| O1B | PB | CC | HCC2 | 43.2° | 180.0° |
| O2B | PB | CC | PG | 61.3° | 60.0° |
| O2B | PB | CC | HCC1 | 64.0° | 180.0° |
| O2B | PB | CC | HCC2 | 173.5° | 60.0° |
| CC | PB | O2B | HOB2 | 56.0° | 60.0° |
| PB | CC | PG | HCC1 | 125.3° | 120.0° |
| PB | CC | PG | HCC2 | 125.3° | 119.9° |
| PB | CC | HCC1 | HCC2 | 118.5° | 119.9° |
| PB | CC | PG | O1G | 32.0° | 60.1° |
| PB | CC | PG | O2G | 77.0° | 180.0° |
| PB | CC | PG | O3G | 135.9° | 60.0° |
| PG | CC | HCC1 | HCC2 | 118.5° | 120.1° |
| CC | PG | O1G | O2G | 109.8° | 120.0° |
| CC | PG | O1G | O3G | 104.2° | 120.1° |
| CC | PG | O2G | O3G | 127.6° | 120.0° |
| CC | PG | O2G | HOG2 | 180.0° | 180.0° |
| CC | PG | O3G | HOG3 | 180.0° | 60.0° |
| HCC1 | CC | PG | O1G | 157.3° | 59.9° |
| HCC1 | CC | PG | O2G | 48.3° | 60.0° |
| HCC1 | CC | PG | O3G | 98.8° | 180.0° |
| HCC2 | CC | PG | O1G | 93.3° | 180.0° |
| HCC2 | CC | PG | O2G | 157.7° | 60.1° |
| HCC2 | CC | PG | O3G | 10.6° | 59.9° |
| O1G | PG | O2G | O3G | 125.2° | 120.0° |
| O1G | PG | O2G | HOG2 | 72.8° | 60.1° |
| O1G | PG | O3G | HOG3 | 75.2° | 180.0° |
| O2G | PG | O3G | HOG3 | 51.2° | 60.0° |
| O3G | PG | O2G | HOG2 | 52.4° | 60.0° |
