TKW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | C4 | sing | 1.38Å | 1.32Å | |
| C4 | N3 | doub | 1.33Å | 1.34Å | |
| C4 | C5 | sing | 1.41Å | 1.38Å | |
| N3 | C2 | sing | 1.33Å | 1.35Å | |
| OP1 | P | doub | 1.48Å | 1.60Å | |
| OAC | C5 | sing | 1.36Å | 1.35Å | |
| C5 | C6 | doub | 1.36Å | 1.35Å | |
| O2 | C2 | doub | 1.22Å | 1.23Å | |
| C2 | N1 | sing | 1.35Å | 1.36Å | |
| OP2 | P | sing | 1.61Å | 1.58Å | |
| P | O5' | sing | 1.61Å | 1.62Å | |
| P | OP3 | sing | 1.61Å | 1.60Å | |
| C6 | N1 | sing | 1.37Å | 1.38Å | |
| N1 | C1' | sing | 1.47Å | 1.50Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| O4' | C4' | sing | 1.44Å | 1.45Å | |
| O4' | C1' | sing | 1.44Å | 1.46Å | |
| C4' | C3' | sing | 1.54Å | 1.51Å | |
| C1' | C2' | sing | 1.54Å | 1.52Å | |
| C2' | C3' | sing | 1.54Å | 1.54Å | |
| C2' | O2' | sing | 1.43Å | 1.41Å | |
| C3' | O3' | sing | 1.43Å | 1.47Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N4 | H41 | sing | 0.97Å | 1.00Å | |
| N4 | H42 | sing | 0.97Å | 1.00Å | |
| OAC | H13 | sing | 0.97Å | 0.95Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C4 | N3 | 123.7° | 120.2° |
| N4 | C4 | C5 | 116.3° | 120.2° |
| C4 | N4 | H41 | 120.0° | 120.0° |
| C4 | N4 | H42 | 120.0° | 120.0° |
| N3 | C4 | C5 | 120.0° | 119.6° |
| C4 | N3 | C2 | 120.8° | 120.8° |
| C4 | C5 | OAC | 117.9° | 120.5° |
| C4 | C5 | C6 | 119.0° | 119.0° |
| N3 | C2 | O2 | 116.7° | 119.4° |
| N3 | C2 | N1 | 120.7° | 121.2° |
| OP1 | P | OP2 | 113.5° | 109.5° |
| OP1 | P | O5' | 105.9° | 109.4° |
| OP1 | P | OP3 | 112.1° | 109.5° |
| OAC | C5 | C6 | 123.1° | 120.5° |
| C5 | OAC | H13 | 109.5° | 114.0° |
| C5 | C6 | N1 | 120.9° | 119.2° |
| C5 | C6 | H6 | 119.6° | 120.5° |
| O2 | C2 | N1 | 122.7° | 119.5° |
| C2 | N1 | C6 | 118.6° | 120.4° |
| C2 | N1 | C1' | 127.9° | 119.8° |
| OP2 | P | O5' | 108.1° | 109.5° |
| OP2 | P | OP3 | 112.0° | 109.5° |
| P | OP2 | HOP2 | 109.5° | 114.0° |
| O5' | P | OP3 | 104.6° | 109.4° |
| P | O5' | C5' | 118.6° | 123.0° |
| P | OP3 | HOP3 | 109.5° | 114.0° |
| C6 | N1 | C1' | 113.5° | 119.9° |
| N1 | C6 | H6 | 119.6° | 120.4° |
| N1 | C1' | O4' | 107.1° | 110.4° |
| N1 | C1' | C2' | 117.6° | 110.4° |
| N1 | C1' | H1' | 108.3° | 110.4° |
| O5' | C5' | C4' | 104.3° | 109.5° |
| O5' | C5' | H5' | 110.7° | 109.5° |
| O5' | C5' | H5'' | 110.8° | 109.4° |
| C5' | C4' | O4' | 108.7° | 110.4° |
| C5' | C4' | C3' | 108.0° | 110.4° |
| C4' | C5' | H5' | 110.7° | 109.4° |
| C4' | C5' | H5'' | 110.8° | 109.5° |
| C5' | C4' | H4' | 110.1° | 110.3° |
| C4' | O4' | C1' | 108.7° | 105.3° |
| O4' | C4' | C3' | 108.4° | 104.8° |
| O4' | C4' | H4' | 111.2° | 110.4° |
| O4' | C1' | C2' | 106.8° | 104.8° |
| O4' | C1' | H1' | 108.8° | 110.4° |
| C4' | C3' | C2' | 102.9° | 104.0° |
| C4' | C3' | O3' | 110.5° | 110.5° |
| C3' | C4' | H4' | 110.3° | 110.4° |
| C4' | C3' | H3' | 110.0° | 110.5° |
| C1' | C2' | C3' | 103.3° | 104.1° |
| C1' | C2' | O2' | 113.0° | 110.5° |
| C1' | C2' | H2' | 110.0° | 110.6° |
| C2' | C1' | H1' | 108.0° | 110.4° |
| C3' | C2' | O2' | 108.6° | 110.5° |
| C2' | C3' | O3' | 113.0° | 110.5° |
| C2' | C3' | H3' | 109.6° | 110.6° |
| C3' | C2' | H2' | 109.8° | 110.5° |
| O2' | C2' | H2' | 111.7° | 110.4° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| O3' | C3' | H3' | 110.6° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| H5' | C5' | H5'' | 109.5° | 109.5° |
| H41 | N4 | H42 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C4 | N3 | C5 | 179.8° | 179.9° |
| N4 | C4 | N3 | C2 | 179.6° | 180.0° |
| N4 | C4 | C5 | OAC | 0.2° | 0.1° |
| N4 | C4 | C5 | C6 | 179.3° | 179.7° |
| C4 | N4 | H41 | H42 | 180.0° | 180.0° |
| N3 | C4 | C5 | OAC | 179.9° | 180.0° |
| N3 | C4 | C5 | C6 | 0.6° | 0.2° |
| C4 | N3 | C2 | O2 | 179.3° | 180.0° |
| C4 | N3 | C2 | N1 | 1.0° | 0.1° |
| N3 | C4 | N4 | H41 | 0.0° | 0.0° |
| N3 | C4 | N4 | H42 | 180.0° | 179.9° |
| C5 | C4 | N3 | C2 | 0.3° | 0.1° |
| C4 | C5 | OAC | C6 | 179.5° | 179.7° |
| C4 | C5 | C6 | N1 | 1.5° | 0.5° |
| C5 | C4 | N4 | H41 | 179.9° | 179.9° |
| C5 | C4 | N4 | H42 | 0.2° | 0.0° |
| C4 | C5 | OAC | H13 | 180.0° | 0.1° |
| C4 | C5 | C6 | H6 | 178.5° | 180.0° |
| N3 | C2 | O2 | N1 | 179.7° | 180.0° |
| N3 | C2 | N1 | C6 | 1.9° | 0.3° |
| N3 | C2 | N1 | C1' | 178.5° | 180.0° |
| OP1 | P | OP2 | O5' | 117.1° | 120.0° |
| OP1 | P | OP2 | OP3 | 128.2° | 120.0° |
| OP1 | P | O5' | OP3 | 118.6° | 120.0° |
| OP1 | P | O5' | C5' | 103.2° | 55.0° |
| OP1 | P | OP3 | HOP3 | 0.0° | 180.0° |
| OP1 | P | OP2 | HOP2 | 0.0° | 60.0° |
| OAC | C5 | C6 | N1 | 179.0° | 179.7° |
| OAC | C5 | C6 | H6 | 1.0° | 0.3° |
| C5 | C6 | N1 | C2 | 2.2° | 0.5° |
| C5 | C6 | N1 | H6 | 180.0° | 179.5° |
| C5 | C6 | N1 | C1' | 179.3° | 179.8° |
| C6 | C5 | OAC | H13 | 0.5° | 179.7° |
| O2 | C2 | N1 | C6 | 178.4° | 179.7° |
| O2 | C2 | N1 | C1' | 1.8° | 0.0° |
| C2 | N1 | C6 | C1' | 177.1° | 179.7° |
| C2 | N1 | C1' | O4' | 64.5° | 53.6° |
| C2 | N1 | C1' | C2' | 55.6° | 61.8° |
| C2 | N1 | C1' | H1' | 178.3° | 175.8° |
| C2 | N1 | C6 | H6 | 177.8° | 180.0° |
| OP2 | P | O5' | OP3 | 119.5° | 120.0° |
| OP2 | P | O5' | C5' | 18.8° | 175.0° |
| OP2 | P | OP3 | HOP3 | 128.9° | 59.9° |
| P | O5' | C5' | C4' | 176.0° | 180.0° |
| O5' | P | OP3 | HOP3 | 114.3° | 60.1° |
| O5' | P | OP2 | HOP2 | 117.1° | 180.0° |
| P | O5' | C5' | H5' | 64.9° | 60.0° |
| P | O5' | C5' | H5'' | 56.8° | 60.0° |
| OP3 | P | O5' | C5' | 138.3° | 65.0° |
| OP3 | P | OP2 | HOP2 | 128.2° | 60.0° |
| C6 | N1 | C1' | O4' | 112.3° | 126.7° |
| C6 | N1 | C1' | C2' | 127.6° | 117.9° |
| C6 | N1 | C1' | H1' | 4.9° | 4.5° |
| N1 | C1' | O4' | C4' | 137.3° | 159.4° |
| N1 | C1' | O4' | C2' | 126.7° | 118.9° |
| N1 | C1' | O4' | H1' | 116.9° | 122.3° |
| N1 | C1' | C2' | H1' | 122.9° | 122.3° |
| N1 | C1' | C2' | C3' | 146.3° | 142.8° |
| N1 | C1' | C2' | O2' | 96.5° | 98.5° |
| N1 | C1' | C2' | H2' | 29.1° | 24.1° |
| C1' | N1 | C6 | H6 | 0.7° | 0.3° |
| O5' | C5' | C4' | H5' | 119.1° | 120.0° |
| O5' | C5' | C4' | H5'' | 119.2° | 120.0° |
| O5' | C5' | C4' | O4' | 152.3° | 69.6° |
| O5' | C5' | C4' | C3' | 90.2° | 175.0° |
| O5' | C5' | H5' | H5'' | 122.4° | 120.0° |
| O5' | C5' | C4' | H4' | 30.2° | 52.7° |
| C5' | C4' | O4' | C3' | 117.2° | 118.9° |
| C5' | C4' | O4' | H4' | 121.4° | 122.2° |
| C5' | C4' | O4' | C1' | 107.2° | 159.4° |
| C5' | C4' | C3' | H4' | 120.4° | 122.2° |
| C5' | C4' | C3' | C2' | 91.8° | 142.8° |
| C5' | C4' | C3' | O3' | 147.3° | 98.5° |
| C4' | C5' | H5' | H5'' | 122.4° | 120.0° |
| C5' | C4' | C3' | H3' | 24.9° | 24.1° |
| O4' | C4' | C3' | H4' | 122.0° | 118.9° |
| C4' | O4' | C1' | C2' | 10.5° | 40.5° |
| O4' | C4' | C3' | C2' | 25.9° | 24.0° |
| O4' | C4' | C3' | O3' | 95.1° | 142.6° |
| O4' | C4' | C5' | H5' | 33.2° | 50.4° |
| O4' | C4' | C5' | H5'' | 88.5° | 170.4° |
| O4' | C4' | C3' | H3' | 142.6° | 94.8° |
| C4' | O4' | C1' | H1' | 105.8° | 78.4° |
| C1' | O4' | C4' | C3' | 10.0° | 40.5° |
| O4' | C1' | C2' | H1' | 116.9° | 118.8° |
| O4' | C1' | C2' | C3' | 26.1° | 24.0° |
| O4' | C1' | C2' | O2' | 143.2° | 142.7° |
| C1' | O4' | C4' | H4' | 131.4° | 78.4° |
| O4' | C1' | C2' | H2' | 91.1° | 94.7° |
| C4' | C3' | C2' | C1' | 31.1° | 0.0° |
| C4' | C3' | C2' | O3' | 119.2° | 118.7° |
| C4' | C3' | C2' | H3' | 117.0° | 118.6° |
| C4' | C3' | C2' | O2' | 151.2° | 118.7° |
| C4' | C3' | O3' | H3' | 122.0° | 122.6° |
| C3' | C4' | C5' | H5' | 150.6° | 65.0° |
| C3' | C4' | C5' | H5'' | 28.9° | 55.0° |
| C4' | C3' | O3' | HO3' | 180.0° | 180.0° |
| C4' | C3' | C2' | H2' | 86.3° | 118.7° |
| C1' | C2' | C3' | O2' | 120.2° | 118.7° |
| C1' | C2' | C3' | H2' | 117.4° | 118.8° |
| C1' | C2' | O2' | H2' | 124.7° | 122.7° |
| C1' | C2' | C3' | O3' | 88.2° | 118.6° |
| C1' | C2' | C3' | H3' | 148.1° | 118.7° |
| C1' | C2' | O2' | HO2' | 180.0° | 176.1° |
| C3' | C2' | O2' | H2' | 121.3° | 122.6° |
| C2' | C3' | O3' | H3' | 123.2° | 122.8° |
| C2' | C3' | C4' | H4' | 147.9° | 95.0° |
| C2' | C3' | O3' | HO3' | 65.3° | 65.4° |
| C3' | C2' | O2' | HO2' | 66.1° | 61.4° |
| C3' | C2' | C1' | H1' | 90.8° | 94.8° |
| O2' | C2' | C3' | O3' | 32.0° | 0.1° |
| O2' | C2' | C3' | H3' | 91.8° | 122.7° |
| O2' | C2' | C1' | H1' | 26.3° | 23.8° |
| O3' | C3' | C4' | H4' | 26.9° | 23.7° |
| O3' | C3' | C2' | H2' | 154.5° | 122.6° |
| H5' | C5' | C4' | H4' | 88.9° | 172.7° |
| H5'' | C5' | C4' | H4' | 149.4° | 67.3° |
| H4' | C4' | C3' | H3' | 95.4° | 146.3° |
| H3' | C3' | O3' | HO3' | 57.9° | 57.4° |
| H3' | C3' | C2' | H2' | 30.7° | 0.1° |
| H2' | C2' | O2' | HO2' | 55.3° | 61.2° |
| H2' | C2' | C1' | H1' | 152.0° | 146.5° |
