3TT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2G | PG | doub | 1.48Å | 1.48Å | |
| O1G | PG | sing | 1.61Å | 1.62Å | |
| PG | N3B | sing | 1.68Å | 1.64Å | |
| PG | O3G | sing | 1.61Å | 1.62Å | |
| N3B | PB | sing | 1.68Å | 1.61Å | |
| O2A | PA | doub | 1.48Å | 1.48Å | |
| PB | O1B | doub | 1.48Å | 1.48Å | |
| PB | O2B | sing | 1.61Å | 1.60Å | |
| PB | O3A | sing | 1.61Å | 1.60Å | |
| O1A | PA | sing | 1.61Å | 1.61Å | |
| PA | O3A | sing | 1.61Å | 1.61Å | |
| PA | O5' | sing | 1.61Å | 1.61Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| N4 | C4 | sing | 1.38Å | 1.34Å | |
| C5 | C4 | sing | 1.41Å | 1.39Å | |
| C5 | C6 | doub | 1.35Å | 1.40Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| C4 | N3 | doub | 1.33Å | 1.41Å | |
| C6 | N1 | sing | 1.36Å | 1.40Å | |
| O4' | C4' | sing | 1.44Å | 1.43Å | |
| O4' | C1' | sing | 1.43Å | 1.43Å | |
| C4' | S3' | sing | 1.83Å | 1.77Å | |
| N3 | C2 | sing | 1.33Å | 1.40Å | |
| N1 | C2 | sing | 1.35Å | 1.35Å | |
| N1 | C1' | sing | 1.47Å | 1.48Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| C1' | C2' | sing | 1.56Å | 1.52Å | |
| S3' | C2' | sing | 1.84Å | 1.78Å | |
| O3G | H1 | sing | 0.97Å | 0.95Å | |
| O1G | H2 | sing | 0.97Å | 0.95Å | |
| N3B | H3 | sing | 1.01Å | 1.00Å | |
| O2B | H4 | sing | 0.97Å | 0.95Å | |
| O1A | H5 | sing | 0.97Å | 0.95Å | |
| C5' | H6 | sing | 1.09Å | 1.10Å | |
| C5' | H7 | sing | 1.09Å | 1.10Å | |
| C4' | H8 | sing | 1.09Å | 1.10Å | |
| C2' | H9 | sing | 1.09Å | 1.10Å | |
| C2' | H10 | sing | 1.09Å | 1.10Å | |
| C1' | H11 | sing | 1.09Å | 1.10Å | |
| N4 | H12 | sing | 0.97Å | 1.00Å | |
| N4 | H13 | sing | 0.97Å | 1.00Å | |
| C5 | H14 | sing | 1.08Å | 1.08Å | |
| C6 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2G | PG | O1G | 110.9° | 109.5° |
| O2G | PG | N3B | 112.6° | 109.5° |
| O2G | PG | O3G | 112.1° | 109.4° |
| O1G | PG | N3B | 105.4° | 109.5° |
| O1G | PG | O3G | 103.9° | 109.4° |
| PG | O1G | H2 | 109.5° | 114.0° |
| N3B | PG | O3G | 111.4° | 109.5° |
| PG | N3B | PB | 115.2° | 111.0° |
| PG | N3B | H3 | 108.0° | 111.0° |
| PG | O3G | H1 | 109.5° | 114.0° |
| N3B | PB | O1B | 115.7° | 109.5° |
| N3B | PB | O2B | 106.4° | 109.4° |
| N3B | PB | O3A | 106.8° | 109.4° |
| PB | N3B | H3 | 108.0° | 111.0° |
| O2A | PA | O1A | 111.8° | 109.5° |
| O2A | PA | O3A | 113.0° | 109.5° |
| O2A | PA | O5' | 112.3° | 109.4° |
| O1B | PB | O2B | 107.6° | 109.5° |
| O1B | PB | O3A | 112.0° | 109.5° |
| O2B | PB | O3A | 108.1° | 109.5° |
| PB | O2B | H4 | 109.5° | 114.0° |
| PB | O3A | PA | 122.2° | 134.0° |
| O1A | PA | O3A | 106.8° | 109.5° |
| O1A | PA | O5' | 106.1° | 109.5° |
| PA | O1A | H5 | 109.5° | 114.0° |
| O3A | PA | O5' | 106.3° | 109.5° |
| PA | O5' | C5' | 119.9° | 123.0° |
| O5' | C5' | C4' | 108.2° | 109.5° |
| O5' | C5' | H6 | 109.8° | 109.5° |
| O5' | C5' | H7 | 109.8° | 109.5° |
| N4 | C4 | C5 | 121.6° | 120.2° |
| N4 | C4 | N3 | 118.1° | 120.2° |
| C4 | N4 | H12 | 120.0° | 120.0° |
| C4 | N4 | H13 | 120.0° | 120.0° |
| C4 | C5 | C6 | 118.7° | 118.9° |
| C5 | C4 | N3 | 120.3° | 119.6° |
| C4 | C5 | H14 | 120.7° | 120.5° |
| C5 | C6 | N1 | 120.4° | 119.3° |
| C6 | C5 | H14 | 120.7° | 120.5° |
| C5 | C6 | H15 | 119.8° | 120.4° |
| C5' | C4' | O4' | 105.7° | 110.4° |
| C5' | C4' | S3' | 108.8° | 110.5° |
| C4' | C5' | H6 | 109.8° | 109.5° |
| C4' | C5' | H7 | 109.8° | 109.5° |
| C5' | C4' | H8 | 113.1° | 110.4° |
| C4 | N3 | C2 | 119.2° | 120.7° |
| C6 | N1 | C2 | 120.8° | 120.4° |
| C6 | N1 | C1' | 120.1° | 119.8° |
| N1 | C6 | H15 | 119.8° | 120.4° |
| C4' | O4' | C1' | 111.0° | 112.3° |
| O4' | C4' | S3' | 104.1° | 104.4° |
| O4' | C4' | H8 | 114.8° | 110.5° |
| O4' | C1' | N1 | 106.2° | 109.8° |
| O4' | C1' | C2' | 111.4° | 107.6° |
| O4' | C1' | H11 | 110.6° | 109.8° |
| C4' | S3' | C2' | 97.8° | 95.6° |
| S3' | C4' | H8 | 109.8° | 110.5° |
| N3 | C2 | N1 | 120.6° | 121.1° |
| N3 | C2 | O2 | 119.5° | 119.4° |
| C2 | N1 | C1' | 119.0° | 119.8° |
| N1 | C2 | O2 | 119.9° | 119.5° |
| N1 | C1' | C2' | 109.1° | 109.8° |
| N1 | C1' | H11 | 110.0° | 109.9° |
| C1' | C2' | S3' | 102.4° | 100.1° |
| C1' | C2' | H9 | 111.2° | 111.3° |
| C1' | C2' | H10 | 111.2° | 111.3° |
| C2' | C1' | H11 | 109.5° | 109.9° |
| S3' | C2' | H9 | 111.2° | 111.2° |
| S3' | C2' | H10 | 111.2° | 111.3° |
| H6 | C5' | H7 | 109.4° | 109.5° |
| H9 | C2' | H10 | 109.5° | 111.1° |
| H12 | N4 | H13 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2G | PG | O1G | N3B | 122.1° | 120.0° |
| O2G | PG | O1G | O3G | 120.6° | 119.9° |
| O2G | PG | N3B | O3G | 126.9° | 120.0° |
| O2G | PG | N3B | PB | 105.5° | 60.0° |
| O2G | PG | O3G | H1 | 0.0° | 59.9° |
| O2G | PG | O1G | H2 | 0.0° | 180.0° |
| O2G | PG | N3B | H3 | 15.4° | 64.0° |
| O1G | PG | N3B | O3G | 112.1° | 120.0° |
| O1G | PG | N3B | PB | 133.5° | 60.0° |
| O1G | PG | O3G | H1 | 119.8° | 60.0° |
| O1G | PG | N3B | H3 | 105.7° | 176.0° |
| PG | N3B | PB | H3 | 120.8° | 123.9° |
| PG | N3B | PB | O1B | 92.8° | 60.0° |
| PG | N3B | PB | O2B | 26.6° | 60.0° |
| PG | N3B | PB | O3A | 141.8° | 180.0° |
| N3B | PG | O3G | H1 | 127.2° | 180.0° |
| N3B | PG | O1G | H2 | 122.1° | 60.0° |
| O3G | PG | N3B | PB | 21.4° | 180.0° |
| O3G | PG | O1G | H2 | 120.6° | 60.0° |
| O3G | PG | N3B | H3 | 142.3° | 56.0° |
| N3B | PB | O1B | O2B | 118.7° | 120.0° |
| N3B | PB | O1B | O3A | 122.7° | 120.0° |
| N3B | PB | O2B | O3A | 114.4° | 119.9° |
| N3B | PB | O3A | PA | 31.2° | 180.0° |
| N3B | PB | O2B | H4 | 124.5° | 60.0° |
| O2A | PA | O3A | PB | 70.6° | 40.1° |
| O2A | PA | O1A | O3A | 124.1° | 120.0° |
| O2A | PA | O1A | O5' | 122.8° | 120.0° |
| O2A | PA | O3A | O5' | 123.6° | 120.0° |
| O2A | PA | O5' | C5' | 151.8° | 55.0° |
| O2A | PA | O1A | H5 | 0.0° | 180.0° |
| O1B | PB | O2B | O3A | 121.1° | 120.1° |
| O1B | PB | O3A | PA | 158.8° | 60.0° |
| O1B | PB | N3B | H3 | 28.0° | 64.0° |
| O1B | PB | O2B | H4 | 0.0° | 180.0° |
| O2B | PB | O3A | PA | 82.9° | 60.1° |
| O2B | PB | N3B | H3 | 147.4° | 176.0° |
| PB | O3A | PA | O1A | 52.8° | 80.0° |
| PB | O3A | PA | O5' | 165.8° | 160.0° |
| O3A | PB | N3B | H3 | 97.4° | 56.1° |
| O3A | PB | O2B | H4 | 121.1° | 60.0° |
| O1A | PA | O3A | O5' | 113.0° | 120.0° |
| O1A | PA | O5' | C5' | 85.8° | 64.9° |
| O3A | PA | O5' | C5' | 27.7° | 175.0° |
| O3A | PA | O1A | H5 | 124.1° | 60.0° |
| PA | O5' | C5' | C4' | 158.3° | 180.0° |
| O5' | PA | O1A | H5 | 122.7° | 60.0° |
| PA | O5' | C5' | H6 | 81.9° | 60.0° |
| PA | O5' | C5' | H7 | 38.5° | 60.0° |
| O5' | C5' | C4' | H6 | 119.8° | 120.0° |
| O5' | C5' | C4' | H7 | 119.8° | 120.0° |
| O5' | C5' | C4' | O4' | 66.0° | 56.4° |
| O5' | C5' | C4' | S3' | 177.3° | 58.6° |
| O5' | C5' | H6 | H7 | 120.6° | 120.0° |
| O5' | C5' | C4' | H8 | 60.4° | 179.0° |
| N4 | C4 | C5 | N3 | 179.1° | 179.9° |
| N4 | C4 | C5 | C6 | 179.8° | 179.7° |
| N4 | C4 | N3 | C2 | 179.4° | 180.0° |
| C4 | N4 | H12 | H13 | 180.0° | 180.0° |
| N4 | C4 | C5 | H14 | 0.2° | 0.1° |
| C4 | C5 | C6 | H14 | 180.0° | 179.8° |
| C4 | C5 | C6 | N1 | 1.0° | 0.5° |
| C5 | C4 | N3 | C2 | 1.4° | 0.0° |
| C5 | C4 | N4 | H12 | 179.1° | 180.0° |
| C5 | C4 | N4 | H13 | 0.8° | 0.0° |
| C4 | C5 | C6 | H15 | 179.0° | 179.9° |
| C6 | C5 | C4 | N3 | 0.7° | 0.2° |
| C5 | C6 | N1 | H15 | 180.0° | 179.6° |
| C5 | C6 | N1 | C2 | 2.1° | 0.5° |
| C5 | C6 | N1 | C1' | 177.2° | 179.8° |
| C5' | C4' | O4' | S3' | 114.6° | 118.7° |
| C5' | C4' | O4' | H8 | 125.4° | 122.5° |
| C5' | C4' | O4' | C1' | 148.8° | 149.2° |
| C5' | C4' | S3' | H8 | 124.3° | 122.4° |
| C5' | C4' | S3' | C2' | 129.0° | 122.2° |
| C4' | C5' | H6 | H7 | 120.6° | 120.0° |
| C4 | N3 | C2 | N1 | 0.4° | 0.1° |
| C4 | N3 | C2 | O2 | 178.8° | 180.0° |
| N3 | C4 | N4 | H12 | 0.0° | 0.0° |
| N3 | C4 | N4 | H13 | 180.0° | 180.0° |
| N3 | C4 | C5 | H14 | 179.3° | 180.0° |
| C6 | N1 | C1' | O4' | 43.1° | 1.2° |
| C6 | N1 | C2 | N3 | 1.3° | 0.2° |
| C6 | N1 | C2 | C1' | 175.2° | 179.8° |
| C6 | N1 | C2 | O2 | 179.5° | 179.7° |
| C6 | N1 | C1' | C2' | 77.1° | 119.3° |
| C6 | N1 | C1' | H11 | 162.9° | 119.7° |
| N1 | C6 | C5 | H14 | 179.0° | 179.7° |
| O4' | C4' | S3' | H8 | 123.3° | 118.8° |
| C4' | O4' | C1' | N1 | 159.0° | 168.9° |
| C4' | O4' | C1' | C2' | 40.4° | 49.4° |
| O4' | C4' | S3' | C2' | 16.6° | 3.5° |
| O4' | C4' | C5' | H6 | 174.2° | 63.5° |
| O4' | C4' | C5' | H7 | 53.9° | 176.4° |
| C4' | O4' | C1' | H11 | 81.7° | 70.2° |
| C1' | O4' | C4' | S3' | 34.2° | 30.5° |
| O4' | C1' | N1 | C2 | 141.7° | 178.5° |
| O4' | C1' | N1 | C2' | 120.2° | 118.1° |
| O4' | C1' | N1 | H11 | 119.8° | 120.9° |
| O4' | C1' | C2' | H11 | 122.7° | 119.6° |
| O4' | C1' | C2' | S3' | 24.6° | 40.9° |
| C1' | O4' | C4' | H8 | 85.8° | 88.3° |
| O4' | C1' | C2' | H9 | 94.2° | 158.6° |
| O4' | C1' | C2' | H10 | 143.5° | 76.9° |
| C4' | S3' | C2' | C1' | 4.0° | 20.6° |
| S3' | C4' | C5' | H6 | 62.9° | 178.5° |
| S3' | C4' | C5' | H7 | 57.5° | 61.5° |
| C4' | S3' | C2' | H9 | 114.8° | 138.3° |
| C4' | S3' | C2' | H10 | 122.9° | 97.2° |
| N3 | C2 | N1 | O2 | 179.2° | 179.9° |
| N3 | C2 | N1 | C1' | 176.5° | 180.0° |
| C2 | N1 | C1' | C2' | 98.1° | 60.4° |
| C2 | N1 | C1' | H11 | 21.9° | 60.6° |
| C2 | N1 | C6 | H15 | 177.9° | 180.0° |
| C1' | N1 | C2 | O2 | 4.3° | 0.0° |
| N1 | C1' | C2' | H11 | 120.4° | 121.0° |
| N1 | C1' | C2' | S3' | 141.6° | 160.3° |
| N1 | C1' | C2' | H9 | 22.7° | 82.0° |
| N1 | C1' | C2' | H10 | 99.5° | 42.6° |
| C1' | N1 | C6 | H15 | 2.8° | 0.2° |
| C1' | C2' | S3' | H9 | 118.8° | 117.7° |
| C1' | C2' | S3' | H10 | 118.9° | 117.8° |
| C1' | C2' | H9 | H10 | 123.3° | 124.7° |
| C2' | S3' | C4' | H8 | 106.7° | 115.3° |
| S3' | C2' | H9 | H10 | 123.3° | 124.6° |
| S3' | C2' | C1' | H11 | 98.1° | 78.7° |
| H6 | C5' | C4' | H8 | 59.4° | 59.0° |
| H7 | C5' | C4' | H8 | 179.7° | 61.0° |
| H9 | C2' | C1' | H11 | 143.1° | 39.0° |
| H10 | C2' | C1' | H11 | 20.8° | 163.6° |
| H14 | C5 | C6 | H15 | 1.0° | 0.2° |
