1TW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3' | C3' | sing | 1.43Å | 1.40Å | |
| CA' | SE2 | sing | 1.96Å | 1.98Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| C2' | SE2 | sing | 1.96Å | 1.98Å | |
| C2' | C1' | sing | 1.54Å | 1.53Å | |
| C3' | C4' | sing | 1.54Å | 1.53Å | |
| C1' | N9 | sing | 1.47Å | 1.46Å | |
| C1' | O4' | sing | 1.44Å | 1.40Å | |
| N2 | C2 | sing | 1.37Å | 1.34Å | |
| N3 | C2 | doub | 1.31Å | 1.33Å | |
| N3 | C4 | sing | 1.34Å | 1.35Å | |
| N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
| C2 | N1 | sing | 1.36Å | 1.37Å | |
| C4 | C5 | doub | 1.40Å | 1.37Å | Aromatic |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C5' | sing | 1.53Å | 1.52Å | |
| C8 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
| N1 | C6 | sing | 1.35Å | 1.40Å | |
| C5 | N7 | sing | 1.36Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.42Å | |
| C6 | O6 | doub | 1.22Å | 1.24Å | |
| O5' | C5' | sing | 1.43Å | 1.41Å | |
| O5' | P | sing | 1.61Å | 1.59Å | |
| OP1 | P | doub | 1.48Å | 1.48Å | |
| P | OP2 | sing | 1.61Å | 1.48Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| N2 | H3 | sing | 0.97Å | 1.00Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| C1' | H5 | sing | 1.09Å | 1.10Å | |
| C2' | H6 | sing | 1.09Å | 1.10Å | |
| CA' | H7 | sing | 1.09Å | 1.10Å | |
| CA' | H8 | sing | 1.09Å | 1.10Å | |
| CA' | H9 | sing | 1.09Å | 1.10Å | |
| C3' | H10 | sing | 1.09Å | 1.10Å | |
| O3' | H11 | sing | 0.97Å | 0.95Å | |
| C4' | H12 | sing | 1.09Å | 1.10Å | |
| C5' | H13 | sing | 1.09Å | 1.10Å | |
| C5' | H14 | sing | 1.09Å | 1.10Å | |
| OP2 | H16 | sing | 0.97Å | 0.95Å | |
| P | OP3 | sing | 1.61Å | 28.78Å | |
| OP3 | H15 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3' | C3' | C2' | 107.4° | 110.5° |
| O3' | C3' | C4' | 107.9° | 110.5° |
| O3' | C3' | H10 | 113.3° | 110.6° |
| C3' | O3' | H11 | 109.5° | 114.0° |
| CA' | SE2 | C2' | 105.4° | 101.0° |
| SE2 | CA' | H7 | 109.5° | 109.5° |
| SE2 | CA' | H8 | 109.5° | 109.5° |
| SE2 | CA' | H9 | 109.5° | 109.4° |
| C3' | C2' | SE2 | 110.4° | 110.5° |
| C3' | C2' | C1' | 98.0° | 104.1° |
| C2' | C3' | C4' | 105.2° | 104.1° |
| C3' | C2' | H6 | 112.4° | 110.5° |
| C2' | C3' | H10 | 111.3° | 110.5° |
| SE2 | C2' | C1' | 116.5° | 110.5° |
| SE2 | C2' | H6 | 107.1° | 110.5° |
| C2' | C1' | N9 | 122.1° | 110.4° |
| C2' | C1' | O4' | 104.5° | 104.8° |
| C2' | C1' | H5 | 106.2° | 110.5° |
| C1' | C2' | H6 | 112.4° | 110.6° |
| C3' | C4' | O4' | 105.4° | 104.8° |
| C3' | C4' | C5' | 116.2° | 110.4° |
| C4' | C3' | H10 | 111.3° | 110.5° |
| C3' | C4' | H12 | 108.4° | 110.4° |
| N9 | C1' | O4' | 108.6° | 110.3° |
| C1' | N9 | C4 | 121.9° | 126.2° |
| C1' | N9 | C8 | 131.7° | 126.3° |
| N9 | C1' | H5 | 107.0° | 110.3° |
| C1' | O4' | C4' | 106.4° | 105.2° |
| O4' | C1' | H5 | 107.6° | 110.4° |
| N2 | C2 | N3 | 120.3° | 119.0° |
| N2 | C2 | N1 | 116.4° | 119.1° |
| C2 | N2 | H3 | 120.0° | 120.0° |
| C2 | N2 | H4 | 120.0° | 120.0° |
| C2 | N3 | C4 | 112.5° | 121.1° |
| N3 | C2 | N1 | 123.4° | 121.9° |
| N3 | C4 | N9 | 125.2° | 134.2° |
| N3 | C4 | C5 | 128.9° | 119.7° |
| C4 | N9 | C8 | 106.4° | 107.5° |
| N9 | C4 | C5 | 105.9° | 106.1° |
| N9 | C8 | N7 | 112.8° | 109.8° |
| N9 | C8 | H1 | 123.6° | 125.1° |
| C2 | N1 | C6 | 124.6° | 120.4° |
| C2 | N1 | H2 | 117.7° | 119.8° |
| C4 | C5 | N7 | 110.2° | 107.2° |
| C4 | C5 | C6 | 118.0° | 118.6° |
| O4' | C4' | C5' | 108.7° | 110.4° |
| O4' | C4' | H12 | 109.5° | 110.3° |
| C4' | C5' | O5' | 109.4° | 109.5° |
| C5' | C4' | H12 | 108.6° | 110.4° |
| C4' | C5' | H13 | 109.5° | 109.4° |
| C4' | C5' | H14 | 109.5° | 109.5° |
| C8 | N7 | C5 | 104.7° | 109.4° |
| N7 | C8 | H1 | 123.6° | 125.1° |
| N1 | C6 | C5 | 112.6° | 118.4° |
| N1 | C6 | O6 | 119.0° | 120.8° |
| C6 | N1 | H2 | 117.7° | 119.9° |
| N7 | C5 | C6 | 131.7° | 134.2° |
| C5 | C6 | O6 | 128.4° | 120.8° |
| C5' | O5' | P | 119.5° | 123.0° |
| O5' | C5' | H13 | 109.5° | 109.5° |
| O5' | C5' | H14 | 109.5° | 109.5° |
| O5' | P | OP1 | 107.4° | 109.5° |
| O5' | P | OP2 | 109.0° | 109.5° |
| O5' | P | OP3 | 80.0° | 109.5° |
| OP1 | P | OP2 | 121.1° | 109.5° |
| OP1 | P | OP3 | 69.0° | 109.5° |
| P | OP2 | H16 | 109.5° | 114.0° |
| OP2 | P | OP3 | 161.2° | 109.5° |
| H3 | N2 | H4 | 120.0° | 120.0° |
| H7 | CA' | H8 | 109.4° | 109.5° |
| H7 | CA' | H9 | 109.4° | 109.5° |
| H8 | CA' | H9 | 109.5° | 109.4° |
| H13 | C5' | H14 | 109.5° | 109.5° |
| P | OP3 | H15 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3' | C3' | C2' | C4' | 114.7° | 118.6° |
| O3' | C3' | C2' | H10 | 124.6° | 122.7° |
| O3' | C3' | C2' | SE2 | 153.7° | 122.7° |
| O3' | C3' | C2' | C1' | 84.1° | 118.6° |
| O3' | C3' | C4' | H10 | 124.9° | 122.7° |
| O3' | C3' | C4' | O4' | 106.2° | 142.6° |
| O3' | C3' | C4' | C5' | 133.4° | 98.6° |
| O3' | C3' | C2' | H6 | 34.2° | 0.1° |
| O3' | C3' | C4' | H12 | 11.0° | 23.8° |
| CA' | SE2 | C2' | C3' | 146.5° | 61.5° |
| CA' | SE2 | C2' | C1' | 102.8° | 176.1° |
| CA' | SE2 | C2' | H6 | 23.9° | 61.2° |
| SE2 | CA' | H7 | H8 | 120.0° | 120.0° |
| SE2 | CA' | H7 | H9 | 120.0° | 120.0° |
| SE2 | CA' | H8 | H9 | 120.0° | 119.9° |
| C3' | C2' | SE2 | C1' | 110.6° | 114.6° |
| C3' | C2' | SE2 | H6 | 122.7° | 122.6° |
| C3' | C2' | C1' | H6 | 118.3° | 118.7° |
| C2' | C3' | C4' | H10 | 120.7° | 118.7° |
| C3' | C2' | C1' | N9 | 168.1° | 142.8° |
| C3' | C2' | C1' | O4' | 44.6° | 24.0° |
| C2' | C3' | C4' | O4' | 8.2° | 24.0° |
| C2' | C3' | C4' | C5' | 112.2° | 142.8° |
| C3' | C2' | C1' | H5 | 69.1° | 94.9° |
| C2' | C3' | O3' | H11 | 180.0° | 180.0° |
| C2' | C3' | C4' | H12 | 125.3° | 94.8° |
| SE2 | C2' | C1' | H6 | 124.1° | 122.7° |
| SE2 | C2' | C3' | C4' | 91.6° | 118.7° |
| SE2 | C2' | C1' | N9 | 50.5° | 24.2° |
| SE2 | C2' | C1' | O4' | 73.1° | 94.6° |
| SE2 | C2' | C1' | H5 | 173.3° | 146.5° |
| C2' | SE2 | CA' | H7 | 180.0° | 180.0° |
| C2' | SE2 | CA' | H8 | 60.0° | 60.0° |
| C2' | SE2 | CA' | H9 | 60.0° | 60.0° |
| SE2 | C2' | C3' | H10 | 29.1° | 0.0° |
| C1' | C2' | C3' | C4' | 30.7° | 0.0° |
| C2' | C1' | N9 | O4' | 121.6° | 115.4° |
| C2' | C1' | N9 | H5 | 122.4° | 122.4° |
| C2' | C1' | O4' | H5 | 112.6° | 119.0° |
| C2' | C1' | N9 | C4 | 144.1° | 88.1° |
| C2' | C1' | N9 | C8 | 38.0° | 91.7° |
| C2' | C1' | O4' | C4' | 42.1° | 40.5° |
| C1' | C2' | C3' | H10 | 151.3° | 118.7° |
| C3' | C4' | O4' | C1' | 20.8° | 40.5° |
| C3' | C4' | O4' | C5' | 125.2° | 118.8° |
| C3' | C4' | O4' | H12 | 116.4° | 118.9° |
| C3' | C4' | C5' | H12 | 122.4° | 122.4° |
| C3' | C4' | C5' | O5' | 50.2° | 175.0° |
| C4' | C3' | C2' | H6 | 148.9° | 118.8° |
| C4' | C3' | O3' | H11 | 67.1° | 65.3° |
| C3' | C4' | C5' | H13 | 170.2° | 55.0° |
| C3' | C4' | C5' | H14 | 69.8° | 65.0° |
| N9 | C1' | O4' | H5 | 115.5° | 122.2° |
| C1' | N9 | C4 | N3 | 1.7° | 0.1° |
| C1' | N9 | C4 | C8 | 178.4° | 179.9° |
| C1' | N9 | C4 | C5 | 179.4° | 179.9° |
| N9 | C1' | O4' | C4' | 173.9° | 159.4° |
| C1' | N9 | C8 | N7 | 179.5° | 179.9° |
| C1' | N9 | C8 | H1 | 0.5° | 0.1° |
| N9 | C1' | C2' | H6 | 73.6° | 98.5° |
| O4' | C1' | N9 | C4 | 94.3° | 156.5° |
| O4' | C1' | N9 | C8 | 83.6° | 23.7° |
| C1' | O4' | C4' | C5' | 145.9° | 159.4° |
| O4' | C1' | C2' | H6 | 162.9° | 142.7° |
| C1' | O4' | C4' | H12 | 95.6° | 78.3° |
| N2 | C2 | N3 | N1 | 179.9° | 180.0° |
| N2 | C2 | N3 | C4 | 179.7° | 179.7° |
| N2 | C2 | N1 | C6 | 179.4° | 180.0° |
| N2 | C2 | N1 | H2 | 0.6° | 0.1° |
| C2 | N2 | H3 | H4 | 180.0° | 180.0° |
| C2 | N3 | C4 | N9 | 179.3° | 179.7° |
| C2 | N3 | C4 | C5 | 0.6° | 0.4° |
| N3 | C2 | N1 | C6 | 0.5° | 0.0° |
| N3 | C2 | N1 | H2 | 179.5° | 179.9° |
| N3 | C2 | N2 | H3 | 0.0° | 179.9° |
| N3 | C2 | N2 | H4 | 180.0° | 0.1° |
| N3 | C4 | N9 | C5 | 179.0° | 179.9° |
| N3 | C4 | N9 | C8 | 180.0° | 179.9° |
| C4 | N3 | C2 | N1 | 0.2° | 0.4° |
| N3 | C4 | C5 | N7 | 179.4° | 180.0° |
| N3 | C4 | C5 | C6 | 1.1° | 0.1° |
| C4 | N9 | C8 | N7 | 1.3° | 0.0° |
| N9 | C4 | C5 | N7 | 0.4° | 0.0° |
| N9 | C4 | C5 | C6 | 179.9° | 180.0° |
| C4 | N9 | C8 | H1 | 178.7° | 180.0° |
| C4 | N9 | C1' | H5 | 21.6° | 34.3° |
| C8 | N9 | C4 | C5 | 1.0° | 0.0° |
| N9 | C8 | N7 | H1 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 1.0° | 0.0° |
| C8 | N9 | C1' | H5 | 160.5° | 145.9° |
| C2 | N1 | C6 | H2 | 180.0° | 179.9° |
| C2 | N1 | C6 | C5 | 1.0° | 0.3° |
| C2 | N1 | C6 | O6 | 179.4° | 180.0° |
| N1 | C2 | N2 | H3 | 179.9° | 0.0° |
| N1 | C2 | N2 | H4 | 0.1° | 180.0° |
| C4 | C5 | N7 | C8 | 0.3° | 0.0° |
| C4 | C5 | C6 | N1 | 1.2° | 0.2° |
| C4 | C5 | N7 | C6 | 179.4° | 180.0° |
| C4 | C5 | C6 | O6 | 179.4° | 180.0° |
| O4' | C4' | C5' | H12 | 119.0° | 122.2° |
| O4' | C4' | C5' | O5' | 68.4° | 69.6° |
| C4' | O4' | C1' | H5 | 70.6° | 78.5° |
| O4' | C4' | C3' | H10 | 128.8° | 94.7° |
| O4' | C4' | C5' | H13 | 51.6° | 170.4° |
| O4' | C4' | C5' | H14 | 171.7° | 50.4° |
| C4' | C5' | O5' | H13 | 120.0° | 119.9° |
| C4' | C5' | O5' | H14 | 120.0° | 120.0° |
| C4' | C5' | O5' | P | 161.3° | 180.0° |
| C5' | C4' | C3' | H10 | 8.5° | 24.1° |
| C4' | C5' | H13 | H14 | 120.0° | 120.0° |
| C8 | N7 | C5 | C6 | 179.1° | 180.0° |
| N1 | C6 | C5 | N7 | 179.4° | 179.7° |
| N1 | C6 | C5 | O6 | 178.2° | 179.7° |
| N7 | C5 | C6 | O6 | 1.2° | 0.0° |
| C5 | N7 | C8 | H1 | 179.0° | 180.0° |
| C5 | C6 | N1 | H2 | 179.0° | 179.8° |
| O6 | C6 | N1 | H2 | 0.6° | 0.1° |
| C5' | O5' | P | OP1 | 177.3° | 55.0° |
| C5' | O5' | P | OP2 | 44.4° | 175.0° |
| O5' | C5' | C4' | H12 | 172.6° | 52.6° |
| O5' | C5' | H13 | H14 | 120.0° | 120.0° |
| C5' | O5' | P | OP3 | 118.6° | 65.0° |
| O5' | P | OP1 | OP2 | 126.0° | 120.0° |
| O5' | P | OP1 | OP3 | 71.6° | 120.0° |
| O5' | P | OP2 | OP3 | 116.3° | 120.0° |
| P | O5' | C5' | H13 | 41.4° | 60.1° |
| P | O5' | C5' | H14 | 78.7° | 60.0° |
| O5' | P | OP2 | H16 | 125.3° | 180.0° |
| O5' | P | OP3 | H15 | 90.0° | 60.0° |
| OP1 | P | OP2 | OP3 | 118.4° | 120.0° |
| OP1 | P | OP2 | H16 | 0.0° | 60.0° |
| OP1 | P | OP3 | H15 | 90.0° | 180.0° |
| OP2 | P | OP3 | H15 | 90.0° | 60.0° |
| H5 | C1' | C2' | H6 | 49.2° | 23.8° |
| H6 | C2' | C3' | H10 | 90.4° | 122.5° |
| H7 | CA' | H8 | H9 | 119.9° | 120.0° |
| H10 | C3' | O3' | H11 | 56.6° | 57.3° |
| H10 | C3' | C4' | H12 | 114.0° | 146.5° |
| H12 | C4' | C5' | H13 | 67.4° | 67.4° |
| H12 | C4' | C5' | H14 | 52.6° | 172.6° |
| H16 | OP2 | P | OP3 | 118.4° | 60.0° |
