HTE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3' | C3' | sing | 1.43Å | 1.43Å | |
| O4' | C4' | sing | 1.43Å | 1.44Å | |
| C3' | C4' | sing | 1.53Å | 1.52Å | |
| C3' | C2' | sing | 1.53Å | 1.53Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| O2' | C2' | sing | 1.43Å | 1.43Å | |
| C2' | C1' | sing | 1.53Å | 1.54Å | |
| O6' | C6' | sing | 1.43Å | 1.43Å | |
| C5' | C6' | sing | 1.53Å | 1.52Å | |
| C5' | O5' | sing | 1.43Å | 1.44Å | |
| C1' | O5' | sing | 1.42Å | 1.42Å | |
| C1' | N1 | sing | 1.47Å | 1.47Å | |
| C1' | C4 | sing | 1.51Å | 1.49Å | |
| N1 | C2 | doub | 1.30Å | 1.30Å | |
| O4 | C4 | doub | 1.21Å | 1.21Å | |
| C4 | N3 | sing | 1.35Å | 1.36Å | |
| C2 | N3 | sing | 1.38Å | 1.34Å | |
| C2 | C5 | sing | 1.48Å | 1.47Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C2' | H1 | sing | 1.09Å | 1.10Å | |
| C3' | H2 | sing | 1.09Å | 1.10Å | |
| C4' | H3 | sing | 1.09Å | 1.10Å | |
| C5' | H4 | sing | 1.09Å | 1.10Å | |
| N3 | H5 | sing | 0.97Å | 1.00Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| O2' | H11 | sing | 0.97Å | 0.95Å | |
| C6' | H12 | sing | 1.09Å | 1.10Å | |
| C6' | H13 | sing | 1.09Å | 1.10Å | |
| O4' | H14 | sing | 0.97Å | 0.95Å | |
| O3' | H15 | sing | 0.97Å | 0.95Å | |
| O6' | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3' | C3' | C4' | 108.3° | 109.6° |
| O3' | C3' | C2' | 110.1° | 109.6° |
| O3' | C3' | H2 | 109.8° | 109.7° |
| C3' | O3' | H15 | 109.5° | 114.1° |
| O4' | C4' | C3' | 109.3° | 109.5° |
| O4' | C4' | C5' | 110.6° | 109.5° |
| O4' | C4' | H3 | 109.9° | 109.6° |
| C4' | O4' | H14 | 109.5° | 114.0° |
| C4' | C3' | C2' | 111.5° | 109.0° |
| C3' | C4' | C5' | 109.7° | 109.2° |
| C4' | C3' | H2 | 108.5° | 109.5° |
| C3' | C4' | H3 | 108.7° | 109.5° |
| C3' | C2' | O2' | 111.3° | 109.6° |
| C3' | C2' | C1' | 112.6° | 109.3° |
| C3' | C2' | H1 | 107.9° | 109.5° |
| C2' | C3' | H2 | 108.5° | 109.5° |
| C4' | C5' | C6' | 113.9° | 109.5° |
| C4' | C5' | O5' | 110.2° | 109.4° |
| C5' | C4' | H3 | 108.6° | 109.5° |
| C4' | C5' | H4 | 108.1° | 109.5° |
| O2' | C2' | C1' | 107.8° | 109.5° |
| O2' | C2' | H1 | 109.2° | 109.5° |
| C2' | O2' | H11 | 109.5° | 114.0° |
| C2' | C1' | O5' | 111.5° | 110.7° |
| C2' | C1' | N1 | 109.0° | 110.4° |
| C2' | C1' | C4 | 114.3° | 110.2° |
| C1' | C2' | H1 | 107.8° | 109.5° |
| O6' | C6' | C5' | 112.3° | 109.5° |
| O6' | C6' | H12 | 108.8° | 109.4° |
| O6' | C6' | H13 | 108.7° | 109.5° |
| C6' | O6' | H16 | 109.5° | 114.0° |
| C6' | C5' | O5' | 107.0° | 109.5° |
| C6' | C5' | H4 | 108.3° | 109.5° |
| C5' | C6' | H12 | 108.7° | 109.5° |
| C5' | C6' | H13 | 108.8° | 109.5° |
| C5' | O5' | C1' | 114.8° | 114.3° |
| O5' | C5' | H4 | 109.3° | 109.5° |
| O5' | C1' | N1 | 109.0° | 110.6° |
| O5' | C1' | C4 | 110.8° | 110.4° |
| N1 | C1' | C4 | 101.6° | 104.3° |
| C1' | N1 | C2 | 109.3° | 107.4° |
| C1' | C4 | O4 | 127.8° | 127.5° |
| C1' | C4 | N3 | 106.9° | 105.0° |
| N1 | C2 | N3 | 112.0° | 112.8° |
| N1 | C2 | C5 | 123.4° | 123.6° |
| O4 | C4 | N3 | 125.3° | 127.5° |
| C4 | N3 | C2 | 110.1° | 110.5° |
| C4 | N3 | H5 | 124.9° | 124.7° |
| N3 | C2 | C5 | 124.6° | 123.6° |
| C2 | N3 | H5 | 125.0° | 124.7° |
| C2 | C5 | C6 | 120.5° | 120.2° |
| C2 | C5 | C10 | 120.5° | 120.1° |
| C6 | C5 | C10 | 119.1° | 119.8° |
| C5 | C6 | C7 | 120.3° | 119.8° |
| C5 | C6 | H6 | 119.8° | 120.0° |
| C5 | C10 | C9 | 120.1° | 119.8° |
| C5 | C10 | H10 | 120.0° | 120.1° |
| C6 | C7 | C8 | 120.3° | 120.2° |
| C7 | C6 | H6 | 119.9° | 120.2° |
| C6 | C7 | H7 | 119.9° | 119.9° |
| C10 | C9 | C8 | 120.4° | 120.1° |
| C10 | C9 | H9 | 119.8° | 119.9° |
| C9 | C10 | H10 | 120.0° | 120.1° |
| C7 | C8 | C9 | 119.9° | 120.2° |
| C8 | C7 | H7 | 119.9° | 119.9° |
| C7 | C8 | H8 | 120.1° | 119.9° |
| C9 | C8 | H8 | 120.0° | 119.9° |
| C8 | C9 | H9 | 119.8° | 120.0° |
| H12 | C6' | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3' | C3' | C4' | O4' | 65.5° | 62.7° |
| O3' | C3' | C4' | C2' | 121.4° | 119.9° |
| O3' | C3' | C4' | H2 | 119.2° | 120.3° |
| O3' | C3' | C2' | H2 | 120.2° | 120.3° |
| O3' | C3' | C4' | C5' | 173.1° | 177.3° |
| O3' | C3' | C2' | O2' | 71.0° | 64.0° |
| O3' | C3' | C2' | C1' | 167.8° | 176.0° |
| O3' | C3' | C2' | H1 | 48.9° | 56.1° |
| O3' | C3' | C4' | H3 | 54.5° | 57.4° |
| O4' | C4' | C3' | C5' | 121.4° | 119.9° |
| O4' | C4' | C3' | H3 | 120.0° | 120.2° |
| O4' | C4' | C3' | C2' | 173.2° | 177.4° |
| O4' | C4' | C5' | H3 | 120.7° | 120.2° |
| O4' | C4' | C5' | C6' | 61.6° | 62.0° |
| O4' | C4' | C5' | O5' | 178.1° | 178.0° |
| O4' | C4' | C3' | H2 | 53.7° | 57.6° |
| O4' | C4' | C5' | H4 | 58.8° | 58.0° |
| C4' | C3' | C2' | H2 | 119.5° | 119.8° |
| C3' | C4' | C5' | H3 | 118.7° | 119.9° |
| C4' | C3' | C2' | O2' | 168.8° | 176.1° |
| C4' | C3' | C2' | C1' | 47.5° | 56.1° |
| C3' | C4' | C5' | C6' | 177.7° | 178.0° |
| C3' | C4' | C5' | O5' | 57.4° | 58.1° |
| C4' | C3' | C2' | H1 | 71.4° | 63.8° |
| C3' | C4' | C5' | H4 | 61.9° | 61.9° |
| C3' | C4' | O4' | H14 | 180.0° | 180.0° |
| C4' | C3' | O3' | H15 | 180.0° | 60.0° |
| C2' | C3' | C4' | C5' | 51.7° | 57.4° |
| C3' | C2' | O2' | C1' | 124.0° | 119.8° |
| C3' | C2' | O2' | H1 | 119.1° | 120.2° |
| C3' | C2' | C1' | H1 | 119.0° | 120.0° |
| C3' | C2' | C1' | O5' | 48.2° | 56.1° |
| C3' | C2' | C1' | N1 | 168.5° | 178.9° |
| C3' | C2' | C1' | C4 | 78.5° | 66.4° |
| C2' | C3' | C4' | H3 | 66.9° | 62.5° |
| C3' | C2' | O2' | H11 | 180.0° | 60.2° |
| C2' | C3' | O3' | H15 | 57.7° | 179.5° |
| C4' | C5' | C6' | O6' | 50.3° | 175.0° |
| C4' | C5' | C6' | O5' | 122.1° | 119.9° |
| C4' | C5' | C6' | H4 | 120.2° | 120.0° |
| C4' | C5' | O5' | H4 | 118.6° | 120.0° |
| C4' | C5' | O5' | C1' | 61.3° | 60.2° |
| C5' | C4' | C3' | H2 | 67.7° | 62.4° |
| C4' | C5' | C6' | H12 | 70.1° | 55.0° |
| C4' | C5' | C6' | H13 | 170.8° | 65.0° |
| C5' | C4' | O4' | H14 | 59.1° | 60.3° |
| O2' | C2' | C1' | H1 | 117.9° | 120.0° |
| O2' | C2' | C1' | O5' | 171.3° | 176.1° |
| O2' | C2' | C1' | N1 | 68.3° | 61.1° |
| O2' | C2' | C1' | C4 | 44.6° | 53.7° |
| O2' | C2' | C3' | H2 | 49.3° | 56.3° |
| C2' | C1' | O5' | C5' | 56.0° | 59.5° |
| C2' | C1' | O5' | N1 | 120.3° | 122.7° |
| C2' | C1' | O5' | C4 | 128.6° | 122.4° |
| C2' | C1' | N1 | C4 | 121.1° | 118.4° |
| C2' | C1' | N1 | C2 | 123.2° | 118.4° |
| C2' | C1' | C4 | O4 | 60.9° | 61.4° |
| C2' | C1' | C4 | N3 | 119.5° | 118.6° |
| C1' | C2' | C3' | H2 | 71.9° | 63.7° |
| C1' | C2' | O2' | H11 | 56.0° | 180.0° |
| O6' | C6' | C5' | H12 | 120.4° | 120.0° |
| O6' | C6' | C5' | H13 | 120.4° | 120.0° |
| O6' | C6' | C5' | O5' | 71.7° | 65.1° |
| O6' | C6' | C5' | H4 | 170.6° | 55.0° |
| O6' | C6' | H12 | H13 | 118.7° | 120.0° |
| C6' | C5' | O5' | H4 | 117.0° | 120.1° |
| C6' | C5' | O5' | C1' | 174.3° | 179.9° |
| C6' | C5' | C4' | H3 | 59.1° | 58.2° |
| C5' | C6' | H12 | H13 | 118.7° | 120.0° |
| C5' | C6' | O6' | H16 | 180.0° | 180.0° |
| C5' | O5' | C1' | N1 | 176.3° | 177.8° |
| C5' | O5' | C1' | C4 | 72.6° | 62.8° |
| O5' | C5' | C4' | H3 | 61.3° | 61.8° |
| O5' | C5' | C6' | H12 | 167.8° | 174.9° |
| O5' | C5' | C6' | H13 | 48.7° | 54.9° |
| O5' | C1' | N1 | C4 | 117.1° | 118.7° |
| O5' | C1' | N1 | C2 | 114.9° | 118.7° |
| O5' | C1' | C4 | O4 | 66.2° | 61.2° |
| O5' | C1' | C4 | N3 | 113.4° | 118.8° |
| O5' | C1' | C2' | H1 | 70.8° | 63.9° |
| C1' | O5' | C5' | H4 | 57.3° | 59.8° |
| N1 | C1' | C4 | O4 | 178.1° | 180.0° |
| N1 | C1' | C4 | N3 | 2.3° | 0.0° |
| C1' | N1 | C2 | N3 | 1.3° | 0.1° |
| C1' | N1 | C2 | C5 | 179.5° | 180.0° |
| N1 | C1' | C2' | H1 | 49.6° | 58.9° |
| C4 | C1' | N1 | C2 | 2.2° | 0.0° |
| C1' | C4 | O4 | N3 | 179.5° | 180.0° |
| C1' | C4 | N3 | C2 | 1.8° | 0.1° |
| C4 | C1' | C2' | H1 | 162.5° | 173.7° |
| C1' | C4 | N3 | H5 | 178.2° | 180.0° |
| N1 | C2 | N3 | C4 | 0.4° | 0.1° |
| N1 | C2 | N3 | C5 | 179.3° | 179.9° |
| N1 | C2 | C5 | C6 | 23.5° | 179.9° |
| N1 | C2 | C5 | C10 | 156.3° | 0.2° |
| N1 | C2 | N3 | H5 | 179.6° | 180.0° |
| O4 | C4 | N3 | C2 | 178.6° | 180.0° |
| O4 | C4 | N3 | H5 | 1.4° | 0.0° |
| C4 | N3 | C2 | H5 | 180.0° | 180.0° |
| C4 | N3 | C2 | C5 | 178.9° | 180.0° |
| N3 | C2 | C5 | C6 | 157.3° | 0.0° |
| N3 | C2 | C5 | C10 | 22.8° | 179.7° |
| C2 | C5 | C6 | C10 | 179.8° | 179.7° |
| C2 | C5 | C6 | C7 | 179.8° | 180.0° |
| C2 | C5 | C10 | C9 | 180.0° | 179.7° |
| C5 | C2 | N3 | H5 | 1.1° | 0.0° |
| C2 | C5 | C6 | H6 | 0.1° | 0.1° |
| C2 | C5 | C10 | H10 | 0.0° | 0.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C6 | C5 | C10 | C9 | 0.2° | 0.6° |
| C5 | C6 | C7 | C8 | 0.4° | 0.1° |
| C5 | C6 | C7 | H7 | 179.6° | 180.0° |
| C6 | C5 | C10 | H10 | 179.8° | 179.7° |
| C10 | C5 | C6 | C7 | 0.3° | 0.3° |
| C5 | C10 | C9 | H10 | 180.0° | 179.7° |
| C5 | C10 | C9 | C8 | 0.2° | 0.7° |
| C10 | C5 | C6 | H6 | 179.7° | 179.8° |
| C5 | C10 | C9 | H9 | 179.8° | 179.7° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.4° | 0.1° |
| C6 | C7 | C8 | H8 | 179.7° | 180.0° |
| C10 | C9 | C8 | C7 | 0.2° | 0.4° |
| C10 | C9 | C8 | H9 | 180.0° | 179.6° |
| C10 | C9 | C8 | H8 | 179.8° | 179.7° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C8 | C7 | C6 | H6 | 179.6° | 180.0° |
| C7 | C8 | C9 | H9 | 179.7° | 180.0° |
| C9 | C8 | C7 | H7 | 179.7° | 179.9° |
| C8 | C9 | C10 | H10 | 179.9° | 179.7° |
| H1 | C2' | C3' | H2 | 169.1° | 176.4° |
| H1 | C2' | O2' | H11 | 60.9° | 60.0° |
| H2 | C3' | C4' | H3 | 173.7° | 177.7° |
| H2 | C3' | O3' | H15 | 61.6° | 60.2° |
| H3 | C4' | C5' | H4 | 179.4° | 178.2° |
| H3 | C4' | O4' | H14 | 60.8° | 59.9° |
| H4 | C5' | C6' | H12 | 50.1° | 65.0° |
| H4 | C5' | C6' | H13 | 69.0° | 175.0° |
| H6 | C6 | C7 | H7 | 0.4° | 0.1° |
| H7 | C7 | C8 | H8 | 0.3° | 0.0° |
| H8 | C8 | C9 | H9 | 0.2° | 0.1° |
| H9 | C9 | C10 | H10 | 0.2° | 0.1° |
| H12 | C6' | O6' | H16 | 59.6° | 60.0° |
| H13 | C6' | O6' | H16 | 59.6° | 60.0° |
