TTP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PA | O1A | doub | 1.48Å | 1.49Å | |
| PA | O2A | sing | 1.61Å | 1.49Å | |
| PA | O3A | sing | 1.61Å | 1.58Å | |
| PA | O5' | sing | 1.61Å | 1.59Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| O3A | PB | sing | 1.61Å | 1.60Å | |
| PB | O1B | doub | 1.48Å | 1.47Å | |
| PB | O2B | sing | 1.61Å | 1.48Å | |
| PB | O3B | sing | 1.61Å | 1.62Å | |
| O2B | HOB2 | sing | 0.97Å | 0.95Å | |
| O3B | PG | sing | 1.61Å | 1.68Å | |
| PG | O1G | doub | 1.48Å | 1.47Å | |
| PG | O2G | sing | 1.61Å | 1.48Å | |
| PG | O3G | sing | 1.61Å | 1.58Å | |
| O2G | HOG2 | sing | 0.97Å | 0.95Å | |
| O3G | HOG3 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.47Å | |
| C5' | C4' | sing | 1.53Å | 1.55Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.45Å | 1.42Å | |
| C4' | C3' | sing | 1.55Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.44Å | 1.38Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | C2' | sing | 1.55Å | 1.54Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | C1' | sing | 1.54Å | 1.52Å | |
| C2' | H2'1 | sing | 1.09Å | 1.12Å | |
| C2' | H2'2 | sing | 1.09Å | 1.11Å | |
| C1' | N1 | sing | 1.46Å | 1.52Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| N1 | C2 | sing | 1.34Å | 1.43Å | |
| N1 | C6 | sing | 1.37Å | 1.35Å | |
| C2 | O2 | doub | 1.22Å | 1.24Å | |
| C2 | N3 | sing | 1.35Å | 1.37Å | |
| N3 | C4 | sing | 1.35Å | 1.33Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C4 | O4 | doub | 1.22Å | 1.35Å | |
| C4 | C5 | sing | 1.41Å | 1.45Å | |
| C5 | C5M | sing | 1.51Å | 1.50Å | |
| C5 | C6 | doub | 1.35Å | 1.34Å | |
| C5M | HM51 | sing | 1.09Å | 1.12Å | |
| C5M | HM52 | sing | 1.09Å | 1.12Å | |
| C5M | HM53 | sing | 1.09Å | 1.12Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | PA | O2A | 118.5° | 109.5° |
| O1A | PA | O3A | 109.2° | 109.5° |
| O1A | PA | O5' | 110.2° | 109.5° |
| O2A | PA | O3A | 107.4° | 109.4° |
| O2A | PA | O5' | 106.2° | 109.5° |
| PA | O2A | HOA2 | 118.4° | 106.9° |
| O3A | PA | O5' | 104.4° | 109.5° |
| PA | O3A | PB | 128.3° | 106.8° |
| PA | O5' | C5' | 114.8° | 106.8° |
| O3A | PB | O1B | 105.4° | 109.5° |
| O3A | PB | O2B | 109.0° | 109.5° |
| O3A | PB | O3B | 101.7° | 109.4° |
| O1B | PB | O2B | 118.7° | 109.5° |
| O1B | PB | O3B | 108.6° | 109.5° |
| O2B | PB | O3B | 111.9° | 109.5° |
| PB | O2B | HOB2 | 109.0° | 106.8° |
| PB | O3B | PG | 138.8° | 106.8° |
| O3B | PG | O1G | 109.5° | 109.5° |
| O3B | PG | O2G | 110.2° | 109.5° |
| O3B | PG | O3G | 103.2° | 109.5° |
| O1G | PG | O2G | 116.6° | 109.5° |
| O1G | PG | O3G | 108.4° | 109.5° |
| O2G | PG | O3G | 108.1° | 109.4° |
| PG | O2G | HOG2 | 110.3° | 106.8° |
| PG | O3G | HOG3 | 103.2° | 106.9° |
| O5' | C5' | C4' | 111.8° | 109.5° |
| O5' | C5' | H5'1 | 111.3° | 109.5° |
| O5' | C5' | H5'2 | 111.3° | 109.5° |
| C4' | C5' | H5'1 | 111.4° | 109.5° |
| C4' | C5' | H5'2 | 111.4° | 109.5° |
| C5' | C4' | O4' | 109.6° | 110.8° |
| C5' | C4' | C3' | 114.5° | 110.7° |
| C5' | C4' | H4' | 104.9° | 110.5° |
| H5'1 | C5' | H5'2 | 98.9° | 109.4° |
| O4' | C4' | C3' | 106.5° | 103.6° |
| O4' | C4' | H4' | 113.3° | 110.5° |
| C4' | O4' | C1' | 110.9° | 106.9° |
| C3' | C4' | H4' | 108.2° | 110.6° |
| C4' | C3' | O3' | 110.4° | 110.9° |
| C4' | C3' | C2' | 103.8° | 102.1° |
| C4' | C3' | H3' | 114.1° | 110.9° |
| O4' | C1' | C2' | 107.4° | 107.4° |
| O4' | C1' | N1 | 108.5° | 109.9° |
| O4' | C1' | H1' | 112.8° | 109.9° |
| O3' | C3' | C2' | 113.8° | 110.9° |
| O3' | C3' | H3' | 104.2° | 110.8° |
| C3' | O3' | HO3' | 110.4° | 106.8° |
| C2' | C3' | H3' | 110.8° | 110.9° |
| C3' | C2' | C1' | 100.7° | 104.2° |
| C3' | C2' | H2'1 | 115.6° | 110.5° |
| C3' | C2' | H2'2 | 115.6° | 110.5° |
| C1' | C2' | H2'1 | 115.6° | 110.5° |
| C1' | C2' | H2'2 | 115.6° | 110.4° |
| C2' | C1' | N1 | 113.3° | 109.9° |
| C2' | C1' | H1' | 108.0° | 109.9° |
| H2'1 | C2' | H2'2 | 94.9° | 110.5° |
| N1 | C1' | H1' | 106.8° | 109.9° |
| C1' | N1 | C2 | 110.2° | 119.7° |
| C1' | N1 | C6 | 129.4° | 119.7° |
| C2 | N1 | C6 | 120.4° | 120.6° |
| N1 | C2 | O2 | 121.2° | 119.5° |
| N1 | C2 | N3 | 118.0° | 120.9° |
| N1 | C6 | C5 | 122.4° | 119.7° |
| N1 | C6 | H6 | 118.9° | 120.2° |
| O2 | C2 | N3 | 120.9° | 119.5° |
| C2 | N3 | C4 | 121.0° | 120.3° |
| C2 | N3 | HN3 | 121.0° | 119.8° |
| C4 | N3 | HN3 | 118.0° | 119.9° |
| N3 | C4 | O4 | 116.8° | 120.3° |
| N3 | C4 | C5 | 121.5° | 119.4° |
| O4 | C4 | C5 | 121.7° | 120.3° |
| C4 | C5 | C5M | 120.7° | 120.4° |
| C4 | C5 | C6 | 116.7° | 119.1° |
| C5M | C5 | C6 | 122.6° | 120.5° |
| C5 | C5M | HM51 | 120.7° | 109.5° |
| C5 | C5M | HM52 | 108.3° | 109.5° |
| C5 | C5M | HM53 | 108.2° | 109.5° |
| C5 | C6 | H6 | 118.7° | 120.1° |
| HM51 | C5M | HM52 | 108.2° | 109.4° |
| HM51 | C5M | HM53 | 108.2° | 109.5° |
| HM52 | C5M | HM53 | 101.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | PA | O2A | O3A | 124.2° | 120.0° |
| O1A | PA | O2A | O5' | 124.5° | 120.0° |
| O1A | PA | O3A | O5' | 117.9° | 120.0° |
| O1A | PA | O2A | HOA2 | 179.9° | 180.0° |
| O1A | PA | O3A | PB | 90.8° | 60.0° |
| O1A | PA | O5' | C5' | 166.1° | 60.0° |
| O2A | PA | O3A | O5' | 112.4° | 120.0° |
| O2A | PA | O3A | PB | 38.9° | 60.0° |
| O2A | PA | O5' | C5' | 36.6° | 60.1° |
| O3A | PA | O2A | HOA2 | 55.7° | 60.0° |
| PA | O3A | PB | O1B | 29.4° | 60.0° |
| PA | O3A | PB | O2B | 157.9° | 60.0° |
| PA | O3A | PB | O3B | 83.8° | 180.0° |
| O3A | PA | O5' | C5' | 76.7° | 180.0° |
| O5' | PA | O2A | HOA2 | 55.6° | 60.0° |
| O5' | PA | O3A | PB | 151.3° | 180.0° |
| PA | O5' | C5' | C4' | 158.8° | 180.0° |
| PA | O5' | C5' | H5'1 | 33.5° | 60.0° |
| PA | O5' | C5' | H5'2 | 75.9° | 59.9° |
| O3A | PB | O1B | O2B | 122.5° | 120.0° |
| O3A | PB | O1B | O3B | 108.3° | 120.0° |
| O3A | PB | O2B | O3B | 111.6° | 120.0° |
| O3A | PB | O2B | HOB2 | 180.0° | 60.0° |
| O3A | PB | O3B | PG | 157.2° | 180.0° |
| O1B | PB | O2B | O3B | 127.7° | 120.0° |
| O1B | PB | O2B | HOB2 | 59.3° | 180.0° |
| O1B | PB | O3B | PG | 46.3° | 60.1° |
| O2B | PB | O3B | PG | 86.6° | 60.0° |
| O3B | PB | O2B | HOB2 | 68.4° | 60.0° |
| PB | O3B | PG | O1G | 34.2° | 60.0° |
| PB | O3B | PG | O2G | 95.3° | 180.0° |
| PB | O3B | PG | O3G | 149.4° | 60.1° |
| O3B | PG | O1G | O2G | 126.0° | 120.0° |
| O3B | PG | O1G | O3G | 111.9° | 120.0° |
| O3B | PG | O2G | O3G | 112.1° | 120.0° |
| O3B | PG | O2G | HOG2 | 180.0° | 179.9° |
| O3B | PG | O3G | HOG3 | 180.0° | 60.0° |
| O1G | PG | O2G | O3G | 122.3° | 120.0° |
| O1G | PG | O2G | HOG2 | 54.4° | 60.1° |
| O1G | PG | O3G | HOG3 | 64.0° | 180.0° |
| O2G | PG | O3G | HOG3 | 63.2° | 60.0° |
| O3G | PG | O2G | HOG2 | 67.9° | 60.0° |
| O5' | C5' | C4' | H5'1 | 125.3° | 120.0° |
| O5' | C5' | C4' | H5'2 | 125.3° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 117.2° | 120.0° |
| O5' | C5' | C4' | O4' | 64.7° | 65.7° |
| O5' | C5' | C4' | C3' | 54.8° | 180.0° |
| O5' | C5' | C4' | H4' | 173.4° | 57.2° |
| C4' | C5' | H5'1 | H5'2 | 117.3° | 120.0° |
| C5' | C4' | O4' | C3' | 124.4° | 118.7° |
| C5' | C4' | O4' | H4' | 116.8° | 122.8° |
| C5' | C4' | C3' | H4' | 116.7° | 122.8° |
| C5' | C4' | O4' | C1' | 127.4° | 158.5° |
| C5' | C4' | C3' | O3' | 134.0° | 86.1° |
| C5' | C4' | C3' | C2' | 103.6° | 155.7° |
| C5' | C4' | C3' | H3' | 17.0° | 37.5° |
| H5'1 | C5' | C4' | O4' | 170.0° | 174.3° |
| H5'1 | C5' | C4' | C3' | 70.5° | 60.0° |
| H5'1 | C5' | C4' | H4' | 48.1° | 62.9° |
| H5'2 | C5' | C4' | O4' | 60.5° | 54.3° |
| H5'2 | C5' | C4' | C3' | 179.9° | 60.0° |
| H5'2 | C5' | C4' | H4' | 61.4° | 177.2° |
| O4' | C4' | C3' | H4' | 122.1° | 118.4° |
| O4' | C4' | C3' | O3' | 104.7° | 155.2° |
| O4' | C4' | C3' | C2' | 17.6° | 36.9° |
| O4' | C4' | C3' | H3' | 138.3° | 81.3° |
| C4' | O4' | C1' | C2' | 23.0° | 26.3° |
| C4' | O4' | C1' | N1 | 145.8° | 145.8° |
| C4' | O4' | C1' | H1' | 96.0° | 93.2° |
| C3' | C4' | O4' | C1' | 3.0° | 39.8° |
| C4' | C3' | O3' | C2' | 116.3° | 112.7° |
| C4' | C3' | O3' | H3' | 122.9° | 123.6° |
| C4' | C3' | C2' | H3' | 122.8° | 118.2° |
| C4' | C3' | O3' | HO3' | 180.0° | 174.2° |
| C4' | C3' | C2' | C1' | 29.3° | 20.9° |
| C4' | C3' | C2' | H2'1 | 95.9° | 97.8° |
| C4' | C3' | C2' | H2'2 | 154.5° | 139.5° |
| H4' | C4' | O4' | C1' | 115.8° | 78.6° |
| H4' | C4' | C3' | O3' | 17.3° | 36.7° |
| H4' | C4' | C3' | C2' | 139.7° | 81.5° |
| H4' | C4' | C3' | H3' | 99.6° | 160.3° |
| O4' | C1' | C2' | C3' | 32.4° | 1.9° |
| O4' | C1' | C2' | N1 | 119.8° | 119.5° |
| O4' | C1' | C2' | H1' | 122.0° | 119.5° |
| O4' | C1' | C2' | H2'1 | 92.8° | 120.6° |
| O4' | C1' | C2' | H2'2 | 157.7° | 116.8° |
| O4' | C1' | N1 | H1' | 121.9° | 121.0° |
| O4' | C1' | N1 | C2 | 126.1° | 58.3° |
| O4' | C1' | N1 | C6 | 53.7° | 121.7° |
| O3' | C3' | C2' | H3' | 117.0° | 123.6° |
| O3' | C3' | C2' | C1' | 90.8° | 139.1° |
| O3' | C3' | C2' | H2'1 | 144.0° | 20.4° |
| O3' | C3' | C2' | H2'2 | 34.4° | 102.3° |
| C2' | C3' | O3' | HO3' | 63.7° | 61.5° |
| C3' | C2' | C1' | H2'1 | 125.2° | 118.7° |
| C3' | C2' | C1' | H2'2 | 125.3° | 118.7° |
| C3' | C2' | H2'1 | H2'2 | 121.4° | 122.7° |
| C3' | C2' | C1' | N1 | 152.3° | 121.5° |
| C3' | C2' | C1' | H1' | 89.6° | 117.6° |
| H3' | C3' | O3' | HO3' | 57.1° | 62.2° |
| H3' | C3' | C2' | C1' | 152.1° | 97.3° |
| H3' | C3' | C2' | H2'1 | 26.9° | 144.0° |
| H3' | C3' | C2' | H2'2 | 82.6° | 21.4° |
| C1' | C2' | H2'1 | H2'2 | 121.4° | 122.6° |
| C2' | C1' | N1 | H1' | 118.9° | 121.0° |
| C2' | C1' | N1 | C2 | 114.7° | 59.7° |
| C2' | C1' | N1 | C6 | 65.5° | 120.3° |
| H2'1 | C2' | C1' | N1 | 27.1° | 119.9° |
| H2'1 | C2' | C1' | H1' | 145.2° | 1.1° |
| H2'2 | C2' | C1' | N1 | 82.5° | 2.8° |
| H2'2 | C2' | C1' | H1' | 35.7° | 123.7° |
| C1' | N1 | C2 | C6 | 179.8° | 180.0° |
| C1' | N1 | C2 | O2 | 0.0° | 0.0° |
| C1' | N1 | C2 | N3 | 179.5° | 180.0° |
| C1' | N1 | C6 | C5 | 179.9° | 180.0° |
| C1' | N1 | C6 | H6 | 0.1° | 0.0° |
| H1' | C1' | N1 | C2 | 4.1° | 179.3° |
| H1' | C1' | N1 | C6 | 175.6° | 0.7° |
| N1 | C2 | O2 | N3 | 179.4° | 180.0° |
| N1 | C2 | N3 | C4 | 0.5° | 0.3° |
| N1 | C2 | N3 | HN3 | 179.5° | 180.0° |
| C2 | N1 | C6 | C5 | 0.2° | 0.0° |
| C2 | N1 | C6 | H6 | 179.8° | 180.0° |
| C6 | N1 | C2 | O2 | 179.7° | 180.0° |
| C6 | N1 | C2 | N3 | 0.3° | 0.0° |
| N1 | C6 | C5 | C4 | 0.3° | 0.2° |
| N1 | C6 | C5 | C5M | 180.0° | 180.0° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| O2 | C2 | N3 | C4 | 180.0° | 179.8° |
| O2 | C2 | N3 | HN3 | 0.0° | 0.1° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.7° |
| C2 | N3 | C4 | O4 | 179.8° | 180.0° |
| C2 | N3 | C4 | C5 | 0.4° | 0.5° |
| N3 | C4 | O4 | C5 | 179.8° | 179.6° |
| N3 | C4 | C5 | C5M | 179.7° | 179.8° |
| N3 | C4 | C5 | C6 | 0.1° | 0.4° |
| HN3 | N3 | C4 | O4 | 0.2° | 0.3° |
| HN3 | N3 | C4 | C5 | 179.6° | 179.9° |
| O4 | C4 | C5 | C5M | 0.1° | 0.2° |
| O4 | C4 | C5 | C6 | 179.8° | 180.0° |
| C4 | C5 | C5M | C6 | 179.7° | 179.8° |
| C4 | C5 | C5M | HM51 | 180.0° | 0.2° |
| C4 | C5 | C5M | HM52 | 54.7° | 119.8° |
| C4 | C5 | C5M | HM53 | 54.7° | 120.2° |
| C4 | C5 | C6 | H6 | 179.6° | 179.8° |
| C5 | C5M | HM51 | HM52 | 125.4° | 120.0° |
| C5 | C5M | HM51 | HM53 | 125.3° | 120.0° |
| C5 | C5M | HM52 | HM53 | 113.9° | 120.0° |
| C5M | C5 | C6 | H6 | 0.0° | 0.0° |
| C6 | C5 | C5M | HM51 | 0.3° | 180.0° |
| C6 | C5 | C5M | HM52 | 125.7° | 60.0° |
| C6 | C5 | C5M | HM53 | 124.9° | 60.0° |
| HM51 | C5M | HM52 | HM53 | 113.7° | 120.0° |
