T2S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP3 | P | sing | 1.63Å | 13.93Å | |
| OP3 | HOP3 | sing | 0.98Å | 0.95Å | |
| P | S1P | doub | 1.96Å | 1.98Å | |
| P | S2P | sing | 2.12Å | 1.98Å | |
| P | O5' | sing | 1.63Å | 1.61Å | |
| S2P | HOP2 | sing | 1.34Å | 1.30Å | |
| O5' | C5' | sing | 1.42Å | 1.42Å | |
| C5' | C4' | sing | 1.52Å | 1.53Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.42Å | |
| C4' | C3' | sing | 1.52Å | 1.54Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.43Å | 1.41Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | C2' | sing | 1.51Å | 1.52Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | C1' | sing | 1.52Å | 1.53Å | |
| C2' | H2' | sing | 1.10Å | 1.10Å | |
| C2' | H2'' | sing | 1.09Å | 1.10Å | |
| C1' | N1 | sing | 1.43Å | 1.49Å | |
| C1' | H1' | sing | 1.10Å | 1.10Å | |
| N1 | C2 | sing | 1.41Å | 1.40Å | |
| N1 | C6 | sing | 1.39Å | 1.38Å | |
| C2 | O2 | doub | 1.23Å | 1.23Å | |
| C2 | N3 | sing | 1.40Å | 1.38Å | |
| N3 | C4 | sing | 1.39Å | 1.38Å | |
| N3 | H3 | sing | 1.02Å | 1.00Å | |
| C4 | O4 | doub | 1.23Å | 1.23Å | |
| C4 | C5 | sing | 1.49Å | 1.46Å | |
| C5 | C5M | sing | 1.49Å | 1.52Å | |
| C5 | C6 | doub | 1.34Å | 1.36Å | |
| C5M | H71 | sing | 1.09Å | 1.10Å | |
| C5M | H72 | sing | 1.09Å | 1.10Å | |
| C5M | H73 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P | OP3 | HOP3 | 157.0° | 118.4° |
| OP3 | P | S1P | 156.9° | 110.6° |
| OP3 | P | S2P | 91.7° | 105.4° |
| OP3 | P | O5' | 70.4° | 98.6° |
| S1P | P | S2P | 109.1° | 118.9° |
| S1P | P | O5' | 110.2° | 113.3° |
| S2P | P | O5' | 109.2° | 107.9° |
| P | S2P | HOP2 | 109.5° | 97.8° |
| P | O5' | C5' | 121.2° | 120.1° |
| O5' | C5' | C4' | 111.5° | 108.9° |
| O5' | C5' | H5' | 108.3° | 109.0° |
| O5' | C5' | H5'' | 108.8° | 108.9° |
| C4' | C5' | H5' | 108.4° | 110.3° |
| C4' | C5' | H5'' | 108.8° | 110.3° |
| C5' | C4' | O4' | 108.7° | 107.9° |
| C5' | C4' | C3' | 113.7° | 112.9° |
| C5' | C4' | H4' | 106.8° | 109.5° |
| H5' | C5' | H5'' | 111.1° | 109.3° |
| O4' | C4' | C3' | 108.4° | 106.2° |
| O4' | C4' | H4' | 112.3° | 107.9° |
| C4' | O4' | C1' | 109.1° | 109.3° |
| C3' | C4' | H4' | 107.1° | 112.2° |
| C4' | C3' | O3' | 108.9° | 109.9° |
| C4' | C3' | C2' | 102.4° | 103.1° |
| C4' | C3' | H3' | 115.5° | 113.5° |
| O4' | C1' | C2' | 105.8° | 107.4° |
| O4' | C1' | N1 | 109.5° | 109.3° |
| O4' | C1' | H1' | 113.5° | 108.0° |
| O3' | C3' | C2' | 112.8° | 109.7° |
| O3' | C3' | H3' | 105.6° | 107.4° |
| C3' | O3' | HO3' | 109.5° | 107.3° |
| C2' | C3' | H3' | 111.8° | 113.2° |
| C3' | C2' | C1' | 102.0° | 102.5° |
| C3' | C2' | H2' | 113.6° | 109.7° |
| C3' | C2' | H2'' | 112.1° | 114.1° |
| C1' | C2' | H2' | 113.7° | 110.6° |
| C1' | C2' | H2'' | 112.0° | 111.7° |
| C2' | C1' | N1 | 114.0° | 112.8° |
| C2' | C1' | H1' | 109.0° | 111.5° |
| H2' | C2' | H2'' | 103.8° | 108.3° |
| N1 | C1' | H1' | 105.2° | 107.8° |
| C1' | N1 | C2 | 118.1° | 121.2° |
| C1' | N1 | C6 | 121.1° | 118.4° |
| C2 | N1 | C6 | 120.8° | 120.4° |
| N1 | C2 | O2 | 123.9° | 123.8° |
| N1 | C2 | N3 | 116.7° | 115.1° |
| N1 | C6 | C5 | 121.3° | 124.5° |
| N1 | C6 | H6 | 119.4° | 114.9° |
| O2 | C2 | N3 | 119.5° | 121.1° |
| C2 | N3 | C4 | 125.9° | 127.0° |
| C2 | N3 | H3 | 117.1° | 116.4° |
| C4 | N3 | H3 | 117.0° | 116.6° |
| N3 | C4 | O4 | 119.1° | 123.6° |
| N3 | C4 | C5 | 114.8° | 114.8° |
| O4 | C4 | C5 | 126.1° | 121.6° |
| C4 | C5 | C5M | 119.7° | 118.1° |
| C4 | C5 | C6 | 120.5° | 118.3° |
| C5M | C5 | C6 | 119.7° | 123.6° |
| C5 | C5M | H71 | 109.5° | 109.7° |
| C5 | C5M | H72 | 109.4° | 109.8° |
| C5 | C5M | H73 | 109.5° | 109.7° |
| C5 | C6 | H6 | 119.4° | 120.7° |
| H71 | C5M | H72 | 109.5° | 109.4° |
| H71 | C5M | H73 | 109.4° | 109.4° |
| H72 | C5M | H73 | 109.5° | 108.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP3 | P | S1P | S2P | 153.0° | 122.1° |
| OP3 | P | S1P | O5' | 87.1° | 109.6° |
| OP3 | P | S2P | O5' | 69.8° | 104.6° |
| OP3 | P | S2P | HOP2 | 155.8° | 8.3° |
| OP3 | P | O5' | C5' | 98.8° | 180.0° |
| HOP3 | OP3 | P | S1P | 179.9° | 45.2° |
| HOP3 | OP3 | P | S2P | 25.5° | 174.9° |
| HOP3 | OP3 | P | O5' | 84.3° | 73.7° |
| S1P | P | S2P | O5' | 120.5° | 130.7° |
| S1P | P | S2P | HOP2 | 34.4° | 116.4° |
| S1P | P | O5' | C5' | 56.7° | 63.1° |
| S2P | P | O5' | C5' | 176.5° | 70.7° |
| O5' | P | S2P | HOP2 | 86.1° | 112.8° |
| P | O5' | C5' | C4' | 172.2° | 150.0° |
| P | O5' | C5' | H5' | 53.1° | 89.6° |
| P | O5' | C5' | H5'' | 67.8° | 29.6° |
| O5' | C5' | C4' | H5' | 119.1° | 119.6° |
| O5' | C5' | C4' | H5'' | 120.0° | 119.5° |
| O5' | C5' | H5' | H5'' | 119.5° | 119.0° |
| O5' | C5' | C4' | O4' | 59.6° | 62.4° |
| O5' | C5' | C4' | C3' | 61.2° | 179.5° |
| O5' | C5' | C4' | H4' | 179.1° | 54.7° |
| C4' | C5' | H5' | H5'' | 119.4° | 121.5° |
| C5' | C4' | O4' | C3' | 124.0° | 121.4° |
| C5' | C4' | O4' | H4' | 117.9° | 118.2° |
| C5' | C4' | C3' | H4' | 117.7° | 124.3° |
| C5' | C4' | O4' | C1' | 129.3° | 108.6° |
| C5' | C4' | C3' | O3' | 136.4° | 154.2° |
| C5' | C4' | C3' | C2' | 104.0° | 88.8° |
| C5' | C4' | C3' | H3' | 17.7° | 34.0° |
| H5' | C5' | C4' | O4' | 59.5° | 57.1° |
| H5' | C5' | C4' | C3' | 179.7° | 60.0° |
| H5' | C5' | C4' | H4' | 61.8° | 174.3° |
| H5'' | C5' | C4' | O4' | 179.6° | 178.1° |
| H5'' | C5' | C4' | C3' | 58.8° | 61.0° |
| H5'' | C5' | C4' | H4' | 59.1° | 64.8° |
| O4' | C4' | C3' | H4' | 121.3° | 117.6° |
| O4' | C4' | C3' | O3' | 102.7° | 87.7° |
| O4' | C4' | C3' | C2' | 17.0° | 29.2° |
| O4' | C4' | C3' | H3' | 138.7° | 152.1° |
| C4' | O4' | C1' | C2' | 25.6° | 9.0° |
| C4' | O4' | C1' | N1 | 148.9° | 131.7° |
| C4' | O4' | C1' | H1' | 93.8° | 111.3° |
| C3' | C4' | O4' | C1' | 5.3° | 12.7° |
| C4' | C3' | O3' | C2' | 112.9° | 112.7° |
| C4' | C3' | O3' | H3' | 124.7° | 123.9° |
| C4' | C3' | C2' | H3' | 124.3° | 123.0° |
| C4' | C3' | O3' | HO3' | 8.1° | 128.0° |
| C4' | C3' | C2' | C1' | 30.6° | 33.4° |
| C4' | C3' | C2' | H2' | 153.3° | 84.1° |
| C4' | C3' | C2' | H2'' | 89.4° | 154.3° |
| H4' | C4' | O4' | C1' | 112.8° | 133.2° |
| H4' | C4' | C3' | O3' | 18.6° | 29.9° |
| H4' | C4' | C3' | C2' | 138.3° | 146.9° |
| H4' | C4' | C3' | H3' | 100.0° | 90.3° |
| O4' | C1' | C2' | C3' | 35.4° | 26.9° |
| O4' | C1' | C2' | N1 | 120.4° | 120.5° |
| O4' | C1' | C2' | H1' | 122.4° | 118.1° |
| O4' | C1' | C2' | H2' | 158.0° | 90.0° |
| O4' | C1' | C2' | H2'' | 84.6° | 149.4° |
| O4' | C1' | N1 | H1' | 122.3° | 117.1° |
| O4' | C1' | N1 | C2 | 111.9° | 147.2° |
| O4' | C1' | N1 | C6 | 68.8° | 32.9° |
| O3' | C3' | C2' | H3' | 118.9° | 119.9° |
| O3' | C3' | C2' | C1' | 86.3° | 83.6° |
| O3' | C3' | C2' | H2' | 36.4° | 158.9° |
| O3' | C3' | C2' | H2'' | 153.7° | 37.2° |
| C2' | C3' | O3' | HO3' | 104.8° | 119.3° |
| C3' | C2' | C1' | H2' | 122.7° | 116.9° |
| C3' | C2' | C1' | H2'' | 120.0° | 122.5° |
| C3' | C2' | H2' | H2'' | 122.0° | 125.1° |
| C3' | C2' | C1' | N1 | 155.8° | 147.4° |
| C3' | C2' | C1' | H1' | 87.0° | 91.2° |
| H3' | C3' | O3' | HO3' | 132.8° | 4.1° |
| H3' | C3' | C2' | C1' | 154.8° | 156.4° |
| H3' | C3' | C2' | H2' | 82.4° | 38.9° |
| H3' | C3' | C2' | H2'' | 34.9° | 82.7° |
| C1' | C2' | H2' | H2'' | 122.0° | 122.7° |
| C2' | C1' | N1 | H1' | 119.3° | 123.5° |
| C2' | C1' | N1 | C2 | 129.8° | 93.5° |
| C2' | C1' | N1 | C6 | 49.5° | 86.5° |
| H2' | C2' | C1' | N1 | 81.5° | 30.6° |
| H2' | C2' | C1' | H1' | 35.7° | 151.9° |
| H2'' | C2' | C1' | N1 | 35.8° | 90.1° |
| H2'' | C2' | C1' | H1' | 153.0° | 31.3° |
| C1' | N1 | C2 | C6 | 179.3° | 180.0° |
| C1' | N1 | C2 | O2 | 0.2° | 0.0° |
| C1' | N1 | C2 | N3 | 178.7° | 180.0° |
| C1' | N1 | C6 | C5 | 178.0° | 180.0° |
| C1' | N1 | C6 | H6 | 2.0° | 0.0° |
| H1' | C1' | N1 | C2 | 10.5° | 30.0° |
| H1' | C1' | N1 | C6 | 168.8° | 150.0° |
| N1 | C2 | O2 | N3 | 178.5° | 180.0° |
| N1 | C2 | N3 | C4 | 0.5° | 0.0° |
| N1 | C2 | N3 | H3 | 179.5° | 180.0° |
| C2 | N1 | C6 | C5 | 1.3° | 0.0° |
| C2 | N1 | C6 | H6 | 178.7° | 180.0° |
| C6 | N1 | C2 | O2 | 179.1° | 180.0° |
| C6 | N1 | C2 | N3 | 0.5° | 0.0° |
| N1 | C6 | C5 | C4 | 1.0° | 0.0° |
| N1 | C6 | C5 | C5M | 178.4° | 180.0° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| O2 | C2 | N3 | C4 | 178.1° | 179.9° |
| O2 | C2 | N3 | H3 | 1.9° | 0.0° |
| C2 | N3 | C4 | H3 | 180.0° | 179.9° |
| C2 | N3 | C4 | O4 | 178.9° | 179.9° |
| C2 | N3 | C4 | C5 | 0.8° | 0.1° |
| N3 | C4 | O4 | C5 | 179.7° | 180.0° |
| N3 | C4 | C5 | C5M | 179.4° | 180.0° |
| N3 | C4 | C5 | C6 | 0.0° | 0.1° |
| H3 | N3 | C4 | O4 | 1.1° | 0.0° |
| H3 | N3 | C4 | C5 | 179.2° | 180.0° |
| O4 | C4 | C5 | C5M | 0.3° | 0.0° |
| O4 | C4 | C5 | C6 | 179.7° | 179.9° |
| C4 | C5 | C5M | C6 | 179.4° | 180.0° |
| C4 | C5 | C5M | H71 | 141.7° | 60.4° |
| C4 | C5 | C5M | H72 | 21.7° | 179.4° |
| C4 | C5 | C5M | H73 | 98.3° | 59.8° |
| C4 | C5 | C6 | H6 | 179.0° | 180.0° |
| C5 | C5M | H71 | H72 | 120.0° | 120.4° |
| C5 | C5M | H71 | H73 | 120.0° | 120.4° |
| C5 | C5M | H72 | H73 | 120.0° | 120.1° |
| C5M | C5 | C6 | H6 | 1.7° | 0.0° |
| C6 | C5 | C5M | H71 | 38.9° | 119.7° |
| C6 | C5 | C5M | H72 | 158.9° | 0.5° |
| C6 | C5 | C5M | H73 | 81.1° | 120.2° |
| H71 | C5M | H72 | H73 | 120.0° | 119.5° |
