T49
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3P | P | doub | 1.48Å | 1.49Å | |
| P | O1P | sing | 1.61Å | 1.49Å | |
| P | O2P | sing | 1.61Å | 1.61Å | |
| P | O5' | sing | 1.61Å | 1.58Å | |
| O1P | H1P | sing | 0.97Å | 0.95Å | |
| O2P | H2P | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.46Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| C4' | C3' | sing | 1.55Å | 1.52Å | |
| C4' | S | sing | 1.85Å | 1.84Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| C3' | O3' | sing | 1.43Å | 1.38Å | |
| C3' | C2' | sing | 1.53Å | 1.50Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| O3' | HA | sing | 0.97Å | 0.95Å | |
| C2' | C1' | sing | 1.54Å | 1.50Å | |
| C2' | H2'1 | sing | 1.09Å | 1.12Å | |
| C2' | H2'2 | sing | 1.09Å | 1.11Å | |
| C1' | N1 | sing | 1.47Å | 1.42Å | |
| C1' | S | sing | 1.84Å | 1.83Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| N1 | C2 | sing | 1.34Å | 1.37Å | |
| N1 | C6 | sing | 1.37Å | 1.35Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| C2 | N3 | sing | 1.35Å | 1.38Å | |
| N3 | C4 | sing | 1.35Å | 1.35Å | |
| N3 | H3 | sing | 0.97Å | 1.02Å | |
| C4 | O4 | doub | 1.22Å | 1.24Å | |
| C4 | C5 | sing | 1.42Å | 1.46Å | |
| C5 | C5M | sing | 1.51Å | 1.49Å | |
| C5 | C6 | doub | 1.35Å | 1.33Å | |
| C5M | H5M1 | sing | 1.09Å | 1.12Å | |
| C5M | H5M2 | sing | 1.09Å | 1.12Å | |
| C5M | H5M3 | 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) |
| O3P | P | O1P | 121.3° | 109.4° |
| O3P | P | O2P | 111.8° | 109.5° |
| O3P | P | O5' | 105.5° | 109.4° |
| O1P | P | O2P | 109.1° | 109.5° |
| O1P | P | O5' | 108.4° | 109.5° |
| P | O1P | H1P | 121.3° | 106.8° |
| O2P | P | O5' | 98.1° | 109.5° |
| P | O2P | H2P | 111.8° | 106.8° |
| P | O5' | C5' | 124.3° | 106.8° |
| O5' | C5' | C4' | 112.3° | 109.5° |
| O5' | C5' | H5'1 | 111.2° | 109.4° |
| O5' | C5' | H5'2 | 111.2° | 109.5° |
| C4' | C5' | H5'1 | 111.1° | 109.4° |
| C4' | C5' | H5'2 | 111.2° | 109.4° |
| C5' | C4' | C3' | 107.0° | 111.5° |
| C5' | C4' | S | 112.7° | 111.5° |
| C5' | C4' | H4' | 109.5° | 111.2° |
| H5'1 | C5' | H5'2 | 99.2° | 109.5° |
| C3' | C4' | S | 108.6° | 99.7° |
| C3' | C4' | H4' | 109.5° | 111.4° |
| C4' | C3' | O3' | 105.2° | 109.3° |
| C4' | C3' | C2' | 113.8° | 110.3° |
| C4' | C3' | H3' | 108.7° | 109.3° |
| S | C4' | H4' | 109.5° | 111.2° |
| C4' | S | C1' | 90.8° | 98.1° |
| O3' | C3' | C2' | 111.7° | 109.3° |
| O3' | C3' | H3' | 108.7° | 109.3° |
| C3' | O3' | HA | 105.2° | 106.8° |
| C2' | C3' | H3' | 108.6° | 109.3° |
| C3' | C2' | C1' | 105.6° | 113.5° |
| C3' | C2' | H2'1 | 113.7° | 108.7° |
| C3' | C2' | H2'2 | 113.6° | 108.7° |
| C1' | C2' | H2'1 | 113.6° | 108.8° |
| C1' | C2' | H2'2 | 113.6° | 108.6° |
| C2' | C1' | N1 | 125.6° | 110.7° |
| C2' | C1' | S | 114.3° | 103.4° |
| C2' | C1' | H1' | 94.7° | 110.6° |
| H2'1 | C2' | H2'2 | 96.8° | 108.4° |
| N1 | C1' | S | 118.0° | 110.6° |
| N1 | C1' | H1' | 94.7° | 110.7° |
| C1' | N1 | C2 | 120.2° | 119.7° |
| C1' | N1 | C6 | 118.2° | 119.6° |
| S | C1' | H1' | 94.7° | 110.6° |
| C2 | N1 | C6 | 121.5° | 120.7° |
| N1 | C2 | O2 | 121.7° | 119.6° |
| N1 | C2 | N3 | 116.5° | 120.9° |
| N1 | C6 | C5 | 122.3° | 119.7° |
| N1 | C6 | H6 | 118.9° | 120.2° |
| O2 | C2 | N3 | 121.7° | 119.5° |
| C2 | N3 | C4 | 125.0° | 120.3° |
| C2 | N3 | H3 | 117.5° | 119.9° |
| C4 | N3 | H3 | 117.5° | 119.8° |
| N3 | C4 | O4 | 116.5° | 120.3° |
| N3 | C4 | C5 | 115.1° | 119.4° |
| O4 | C4 | C5 | 128.3° | 120.3° |
| C4 | C5 | C5M | 122.7° | 120.4° |
| C4 | C5 | C6 | 119.6° | 119.1° |
| C5M | C5 | C6 | 117.6° | 120.5° |
| C5 | C5M | H5M1 | 117.7° | 109.5° |
| C5 | C5M | H5M2 | 109.3° | 109.5° |
| C5 | C5M | H5M3 | 109.2° | 109.5° |
| C5 | C6 | H6 | 118.9° | 120.1° |
| H5M1 | C5M | H5M2 | 109.2° | 109.4° |
| H5M1 | C5M | H5M3 | 109.3° | 109.5° |
| H5M2 | C5M | H5M3 | 100.9° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3P | P | O1P | O2P | 132.1° | 120.0° |
| O3P | P | O1P | O5' | 122.1° | 120.0° |
| O3P | P | O2P | O5' | 110.3° | 120.0° |
| O3P | P | O1P | H1P | 180.0° | 60.0° |
| O3P | P | O2P | H2P | 180.0° | 180.0° |
| O3P | P | O5' | C5' | 157.6° | 60.0° |
| O1P | P | O2P | O5' | 112.7° | 120.0° |
| O1P | P | O2P | H2P | 43.1° | 60.0° |
| O1P | P | O5' | C5' | 26.3° | 179.9° |
| O2P | P | O1P | H1P | 47.9° | 60.0° |
| O2P | P | O5' | C5' | 87.0° | 60.1° |
| O5' | P | O1P | H1P | 57.9° | 180.0° |
| O5' | P | O2P | H2P | 69.7° | 60.0° |
| P | O5' | C5' | C4' | 170.8° | 180.0° |
| P | O5' | C5' | H5'1 | 45.6° | 60.0° |
| P | O5' | C5' | H5'2 | 63.9° | 60.0° |
| O5' | C5' | C4' | H5'1 | 125.3° | 120.0° |
| O5' | C5' | C4' | H5'2 | 125.3° | 120.1° |
| O5' | C5' | H5'1 | H5'2 | 117.0° | 120.1° |
| O5' | C5' | C4' | C3' | 66.3° | 180.0° |
| O5' | C5' | C4' | S | 52.9° | 69.7° |
| O5' | C5' | C4' | H4' | 175.1° | 55.0° |
| C4' | C5' | H5'1 | H5'2 | 117.1° | 119.9° |
| C5' | C4' | C3' | S | 121.9° | 117.7° |
| C5' | C4' | C3' | H4' | 118.6° | 124.8° |
| C5' | C4' | S | H4' | 122.1° | 124.7° |
| C5' | C4' | C3' | O3' | 137.8° | 82.7° |
| C5' | C4' | C3' | C2' | 99.6° | 157.2° |
| C5' | C4' | C3' | H3' | 21.5° | 36.9° |
| C5' | C4' | S | C1' | 111.4° | 150.4° |
| H5'1 | C5' | C4' | C3' | 168.5° | 60.0° |
| H5'1 | C5' | C4' | S | 72.3° | 170.4° |
| H5'1 | C5' | C4' | H4' | 49.9° | 64.9° |
| H5'2 | C5' | C4' | C3' | 59.0° | 60.0° |
| H5'2 | C5' | C4' | S | 178.2° | 50.4° |
| H5'2 | C5' | C4' | H4' | 59.6° | 175.1° |
| C3' | C4' | S | H4' | 119.6° | 117.6° |
| C4' | C3' | O3' | C2' | 123.9° | 120.8° |
| C4' | C3' | O3' | H3' | 116.2° | 119.6° |
| C4' | C3' | C2' | H3' | 121.2° | 120.2° |
| C4' | C3' | O3' | HA | 180.0° | 177.7° |
| C4' | C3' | C2' | C1' | 28.4° | 30.8° |
| C4' | C3' | C2' | H2'1 | 153.6° | 90.3° |
| C4' | C3' | C2' | H2'2 | 96.9° | 151.9° |
| C3' | C4' | S | C1' | 6.9° | 32.6° |
| S | C4' | C3' | O3' | 100.4° | 159.6° |
| S | C4' | C3' | C2' | 22.3° | 39.4° |
| S | C4' | C3' | H3' | 143.4° | 80.8° |
| C4' | S | C1' | C2' | 9.5° | 17.2° |
| C4' | S | C1' | N1 | 174.2° | 135.7° |
| C4' | S | C1' | H1' | 87.8° | 101.3° |
| H4' | C4' | C3' | O3' | 19.2° | 42.1° |
| H4' | C4' | C3' | C2' | 141.8° | 78.0° |
| H4' | C4' | C3' | H3' | 97.1° | 161.7° |
| H4' | C4' | S | C1' | 126.5° | 84.9° |
| O3' | C3' | C2' | H3' | 119.9° | 119.6° |
| O3' | C3' | C2' | C1' | 90.6° | 151.0° |
| O3' | C3' | C2' | H2'1 | 34.7° | 29.8° |
| O3' | C3' | C2' | H2'2 | 144.1° | 88.0° |
| C2' | C3' | O3' | HA | 56.1° | 61.5° |
| C3' | C2' | C1' | H2'1 | 125.3° | 121.1° |
| C3' | C2' | C1' | H2'2 | 125.2° | 121.1° |
| C3' | C2' | H2'1 | H2'2 | 119.6° | 118.0° |
| C3' | C2' | C1' | N1 | 173.9° | 113.6° |
| C3' | C2' | C1' | S | 22.7° | 4.9° |
| C3' | C2' | C1' | H1' | 74.7° | 123.4° |
| H3' | C3' | O3' | HA | 63.7° | 58.1° |
| H3' | C3' | C2' | C1' | 149.5° | 89.4° |
| H3' | C3' | C2' | H2'1 | 85.2° | 149.4° |
| H3' | C3' | C2' | H2'2 | 24.3° | 31.6° |
| C1' | C2' | H2'1 | H2'2 | 119.6° | 118.0° |
| C2' | C1' | N1 | S | 162.8° | 114.0° |
| C2' | C1' | N1 | H1' | 99.2° | 123.0° |
| C2' | C1' | S | H1' | 97.3° | 118.5° |
| C2' | C1' | N1 | C2 | 125.0° | 57.7° |
| C2' | C1' | N1 | C6 | 59.0° | 122.3° |
| H2'1 | C2' | C1' | N1 | 48.6° | 125.2° |
| H2'1 | C2' | C1' | S | 148.0° | 116.3° |
| H2'1 | C2' | C1' | H1' | 50.6° | 2.2° |
| H2'2 | C2' | C1' | N1 | 60.8° | 7.4° |
| H2'2 | C2' | C1' | S | 102.6° | 125.9° |
| H2'2 | C2' | C1' | H1' | 160.1° | 115.6° |
| N1 | C1' | S | H1' | 97.9° | 123.0° |
| C1' | N1 | C2 | C6 | 175.9° | 180.0° |
| C1' | N1 | C2 | O2 | 0.6° | 0.0° |
| C1' | N1 | C2 | N3 | 174.8° | 180.0° |
| C1' | N1 | C6 | C5 | 174.9° | 180.0° |
| C1' | N1 | C6 | H6 | 5.1° | 0.1° |
| S | C1' | N1 | C2 | 72.2° | 56.3° |
| S | C1' | N1 | C6 | 103.9° | 123.7° |
| H1' | C1' | N1 | C2 | 25.7° | 179.3° |
| H1' | C1' | N1 | C6 | 158.2° | 0.7° |
| N1 | C2 | O2 | N3 | 175.2° | 180.0° |
| N1 | C2 | N3 | C4 | 0.5° | 0.2° |
| N1 | C2 | N3 | H3 | 179.5° | 180.0° |
| C2 | N1 | C6 | C5 | 1.1° | 0.0° |
| C2 | N1 | C6 | H6 | 178.9° | 179.9° |
| C6 | N1 | C2 | O2 | 176.5° | 180.0° |
| C6 | N1 | C2 | N3 | 1.1° | 0.0° |
| N1 | C6 | C5 | C4 | 0.3° | 0.2° |
| N1 | C6 | C5 | C5M | 178.1° | 180.0° |
| N1 | C6 | C5 | H6 | 180.0° | 179.9° |
| O2 | C2 | N3 | C4 | 175.0° | 179.7° |
| O2 | C2 | N3 | H3 | 5.0° | 0.0° |
| C2 | N3 | C4 | H3 | 180.0° | 179.8° |
| C2 | N3 | C4 | O4 | 175.0° | 180.0° |
| C2 | N3 | C4 | C5 | 1.8° | 0.5° |
| N3 | C4 | O4 | C5 | 176.2° | 179.5° |
| N3 | C4 | C5 | C5M | 176.6° | 179.8° |
| N3 | C4 | C5 | C6 | 1.7° | 0.5° |
| H3 | N3 | C4 | O4 | 5.0° | 0.2° |
| H3 | N3 | C4 | C5 | 178.2° | 179.8° |
| O4 | C4 | C5 | C5M | 7.1° | 0.2° |
| O4 | C4 | C5 | C6 | 174.6° | 180.0° |
| C4 | C5 | C5M | C6 | 178.4° | 179.8° |
| C4 | C5 | C5M | H5M1 | 1.6° | 0.2° |
| C4 | C5 | C5M | H5M2 | 123.6° | 119.8° |
| C4 | C5 | C5M | H5M3 | 126.9° | 120.3° |
| C4 | C5 | C6 | H6 | 179.7° | 179.8° |
| C5 | C5M | H5M1 | H5M2 | 125.3° | 120.0° |
| C5 | C5M | H5M1 | H5M3 | 125.3° | 120.1° |
| C5 | C5M | H5M2 | H5M3 | 115.0° | 120.0° |
| C5M | C5 | C6 | H6 | 1.9° | 0.0° |
| C6 | C5 | C5M | H5M1 | 180.0° | 180.0° |
| C6 | C5 | C5M | H5M2 | 54.7° | 60.0° |
| C6 | C5 | C5M | H5M3 | 54.7° | 59.9° |
| H5M1 | C5M | H5M2 | H5M3 | 115.0° | 120.0° |
