HXB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C4' | sing | 1.53Å | 1.49Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C1' | N1 | sing | 1.46Å | 1.46Å | |
| C6 | N1 | sing | 1.37Å | 1.36Å | |
| N1 | C2 | sing | 1.35Å | 1.47Å | |
| P2 | O1 | sing | 1.61Å | 1.56Å | |
| P1 | O1 | sing | 1.61Å | 1.57Å | |
| O10 | P1 | doub | 1.48Å | 1.52Å | |
| P1 | O5' | sing | 1.61Å | 1.58Å | |
| P1 | O11 | sing | 1.61Å | 1.57Å | |
| C2 | O2 | doub | 1.22Å | 1.24Å | |
| C2 | N3 | sing | 1.35Å | 1.43Å | |
| O9 | P2 | doub | 1.48Å | 1.56Å | |
| O3 | P2 | sing | 1.61Å | 1.57Å | |
| P2 | O8 | sing | 1.61Å | 1.51Å | |
| C4 | N3 | sing | 1.35Å | 1.38Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| P3 | O3 | sing | 1.61Å | 1.57Å | |
| O5 | P3 | doub | 1.48Å | 1.51Å | |
| O6 | P3 | sing | 1.61Å | 1.56Å | |
| P3 | O7 | sing | 1.61Å | 1.55Å | |
| C5 | C4 | sing | 1.42Å | 1.45Å | |
| C4 | O4 | doub | 1.22Å | 1.23Å | |
| C6 | C5 | doub | 1.35Å | 1.45Å | |
| C5M | C5 | sing | 1.51Å | 1.50Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| O4' | C1' | sing | 1.44Å | 1.50Å | |
| C2' | C1' | sing | 1.55Å | 1.53Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å | |
| C3' | C2' | sing | 1.55Å | 1.47Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'A | sing | 1.09Å | 1.10Å | |
| O3' | C3' | sing | 1.43Å | 1.39Å | |
| C4' | C3' | sing | 1.54Å | 1.53Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C4' | O4' | sing | 1.44Å | 1.48Å | |
| C5' | O5' | sing | 1.43Å | 1.40Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| C5M | H5M | sing | 1.09Å | 1.10Å | |
| C5M | H5MA | sing | 1.09Å | 1.10Å | |
| C5M | H5MB | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4' | C1 | H1 | 109.5° | 109.4° |
| C4' | C1 | H1A | 109.4° | 109.5° |
| C4' | C1 | H1B | 109.5° | 109.5° |
| C1 | C4' | C3' | 110.5° | 109.9° |
| C1 | C4' | C5' | 110.6° | 109.9° |
| C1 | C4' | O4' | 108.8° | 109.7° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.4° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| C1' | N1 | C6 | 119.8° | 119.7° |
| C1' | N1 | C2 | 119.1° | 119.7° |
| N1 | C1' | O4' | 123.2° | 110.6° |
| N1 | C1' | C2' | 123.2° | 110.6° |
| N1 | C1' | H1' | 80.5° | 110.6° |
| C6 | N1 | C2 | 121.1° | 120.6° |
| N1 | C6 | C5 | 119.7° | 119.7° |
| N1 | C6 | H6 | 120.1° | 120.2° |
| N1 | C2 | O2 | 119.9° | 119.5° |
| N1 | C2 | N3 | 119.0° | 120.9° |
| P2 | O1 | P1 | 123.6° | 134.0° |
| O1 | P2 | O9 | 111.8° | 109.5° |
| O1 | P2 | O3 | 109.3° | 109.5° |
| O1 | P2 | O8 | 107.7° | 109.5° |
| O1 | P1 | O10 | 111.3° | 109.5° |
| O1 | P1 | O5' | 109.2° | 109.5° |
| O1 | P1 | O11 | 108.0° | 109.5° |
| O10 | P1 | O5' | 110.5° | 109.4° |
| O10 | P1 | O11 | 109.5° | 109.5° |
| O5' | P1 | O11 | 108.3° | 109.5° |
| P1 | O5' | C5' | 123.8° | 123.0° |
| P1 | O11 | HO11 | 109.5° | 114.0° |
| O2 | C2 | N3 | 121.1° | 119.6° |
| C2 | N3 | C4 | 120.3° | 120.3° |
| C2 | N3 | HN3 | 119.8° | 119.9° |
| O9 | P2 | O3 | 109.8° | 109.5° |
| O9 | P2 | O8 | 109.9° | 109.4° |
| O3 | P2 | O8 | 108.3° | 109.5° |
| P2 | O3 | P3 | 123.2° | 134.0° |
| P2 | O8 | HO8 | 109.5° | 114.0° |
| C4 | N3 | HN3 | 119.8° | 119.8° |
| N3 | C4 | C5 | 120.4° | 119.4° |
| N3 | C4 | O4 | 119.3° | 120.3° |
| O3 | P3 | O5 | 107.7° | 109.5° |
| O3 | P3 | O6 | 111.5° | 109.5° |
| O3 | P3 | O7 | 109.9° | 109.5° |
| O5 | P3 | O6 | 110.2° | 109.5° |
| O5 | P3 | O7 | 108.7° | 109.4° |
| O6 | P3 | O7 | 108.7° | 109.5° |
| P3 | O6 | HO6 | 109.5° | 114.0° |
| P3 | O7 | HO7 | 109.5° | 114.0° |
| C5 | C4 | O4 | 120.3° | 120.3° |
| C4 | C5 | C6 | 119.4° | 119.1° |
| C4 | C5 | C5M | 120.5° | 120.4° |
| C6 | C5 | C5M | 120.1° | 120.4° |
| C5 | C6 | H6 | 120.1° | 120.2° |
| C5 | C5M | H5M | 109.5° | 109.4° |
| C5 | C5M | H5MA | 109.5° | 109.4° |
| C5 | C5M | H5MB | 109.5° | 109.5° |
| O4' | C1' | C2' | 103.5° | 103.6° |
| O4' | C1' | H1' | 112.0° | 110.6° |
| C1' | O4' | C4' | 107.4° | 106.9° |
| C2' | C1' | H1' | 112.0° | 110.6° |
| C1' | C2' | C3' | 103.6° | 102.1° |
| C1' | C2' | H2' | 111.5° | 110.9° |
| C1' | C2' | H2'A | 111.5° | 110.9° |
| C3' | C2' | H2' | 111.5° | 110.9° |
| C3' | C2' | H2'A | 111.5° | 110.9° |
| C2' | C3' | O3' | 117.9° | 110.5° |
| C2' | C3' | C4' | 104.1° | 104.2° |
| C2' | C3' | H3' | 111.8° | 110.5° |
| H2' | C2' | H2'A | 107.4° | 110.8° |
| O3' | C3' | C4' | 119.2° | 110.5° |
| O3' | C3' | H3' | 93.2° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C4' | C3' | H3' | 110.2° | 110.5° |
| C3' | C4' | C5' | 109.6° | 109.9° |
| C3' | C4' | O4' | 106.1° | 107.3° |
| C5' | C4' | O4' | 111.2° | 110.1° |
| C4' | C5' | O5' | 116.3° | 109.5° |
| C4' | C5' | H5' | 107.2° | 109.4° |
| C4' | C5' | H5'A | 107.2° | 109.5° |
| O5' | C5' | H5' | 107.2° | 109.5° |
| O5' | C5' | H5'A | 107.2° | 109.5° |
| H5' | C5' | H5'A | 111.6° | 109.5° |
| H5M | C5M | H5MA | 109.5° | 109.5° |
| H5M | C5M | H5MB | 109.5° | 109.5° |
| H5MA | C5M | H5MB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4' | C1 | H1 | H1A | 120.0° | 120.0° |
| C4' | C1 | H1 | H1B | 120.0° | 120.0° |
| C4' | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C4' | O4' | C1' | 117.7° | 93.1° |
| C1 | C4' | C3' | C2' | 93.0° | 117.4° |
| C1 | C4' | C3' | O3' | 40.9° | 1.4° |
| C1 | C4' | C3' | C5' | 122.1° | 121.0° |
| C1 | C4' | C3' | O4' | 117.8° | 119.3° |
| C1 | C4' | C3' | H3' | 146.9° | 123.9° |
| C1 | C4' | C5' | O4' | 120.9° | 120.9° |
| C1 | C4' | C5' | O5' | 174.6° | 54.3° |
| C1 | C4' | C5' | H5' | 54.6° | 65.7° |
| C1 | C4' | C5' | H5'A | 65.4° | 174.3° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H1 | C1 | C4' | C3' | 180.0° | 60.0° |
| H1 | C1 | C4' | C5' | 58.5° | 61.0° |
| H1 | C1 | C4' | O4' | 63.8° | 177.8° |
| H1A | C1 | C4' | C3' | 60.0° | 180.0° |
| H1A | C1 | C4' | C5' | 178.5° | 59.0° |
| H1A | C1 | C4' | O4' | 56.1° | 62.2° |
| H1B | C1 | C4' | C3' | 60.0° | 59.9° |
| H1B | C1 | C4' | C5' | 61.5° | 179.0° |
| H1B | C1 | C4' | O4' | 176.1° | 57.9° |
| C1' | N1 | C6 | C2 | 177.3° | 179.7° |
| C1' | N1 | C2 | O2 | 3.3° | 0.2° |
| C1' | N1 | C2 | N3 | 178.0° | 179.7° |
| C1' | N1 | C6 | C5 | 177.9° | 179.7° |
| C1' | N1 | C6 | H6 | 2.1° | 0.3° |
| N1 | C1' | O4' | C2' | 146.2° | 118.6° |
| N1 | C1' | O4' | H1' | 93.0° | 122.8° |
| N1 | C1' | C2' | H1' | 93.0° | 122.9° |
| N1 | C1' | C2' | C3' | 109.0° | 155.5° |
| N1 | C1' | C2' | H2' | 131.0° | 86.3° |
| N1 | C1' | C2' | H2'A | 11.0° | 37.3° |
| N1 | C1' | O4' | C4' | 124.5° | 158.4° |
| C6 | N1 | C2 | O2 | 179.3° | 180.0° |
| C6 | N1 | C2 | N3 | 0.7° | 0.0° |
| N1 | C6 | C5 | C4 | 0.1° | 0.0° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| N1 | C6 | C5 | C5M | 179.9° | 180.0° |
| C6 | N1 | C1' | O4' | 44.6° | 128.9° |
| C6 | N1 | C1' | C2' | 95.1° | 116.9° |
| C6 | N1 | C1' | H1' | 154.7° | 6.0° |
| N1 | C2 | O2 | N3 | 178.6° | 180.0° |
| N1 | C2 | N3 | C4 | 0.3° | 0.0° |
| N1 | C2 | N3 | HN3 | 179.7° | 180.0° |
| C2 | N1 | C6 | C5 | 0.6° | 0.0° |
| C2 | N1 | C6 | H6 | 179.4° | 180.0° |
| C2 | N1 | C1' | O4' | 138.0° | 51.4° |
| C2 | N1 | C1' | C2' | 82.2° | 62.8° |
| C2 | N1 | C1' | H1' | 27.9° | 174.3° |
| P2 | O1 | P1 | O10 | 31.0° | 40.0° |
| P2 | O1 | P1 | O5' | 91.2° | 160.0° |
| P2 | O1 | P1 | O11 | 151.3° | 80.0° |
| O1 | P2 | O9 | O3 | 121.5° | 120.0° |
| O1 | P2 | O9 | O8 | 119.5° | 120.0° |
| O1 | P2 | O3 | O8 | 117.0° | 120.0° |
| O1 | P2 | O3 | P3 | 71.1° | 165.0° |
| O1 | P2 | O8 | HO8 | 122.0° | 60.0° |
| O1 | P1 | O10 | O5' | 121.5° | 120.0° |
| O1 | P1 | O10 | O11 | 119.4° | 120.0° |
| O1 | P1 | O5' | O11 | 117.4° | 120.0° |
| P1 | O1 | P2 | O9 | 6.7° | 40.0° |
| P1 | O1 | P2 | O3 | 115.1° | 160.0° |
| P1 | O1 | P2 | O8 | 127.5° | 80.0° |
| O1 | P1 | O11 | HO11 | 121.4° | 60.0° |
| O1 | P1 | O5' | C5' | 89.2° | 175.0° |
| O10 | P1 | O5' | O11 | 119.9° | 120.0° |
| O10 | P1 | O11 | HO11 | 0.0° | 180.0° |
| O10 | P1 | O5' | C5' | 33.6° | 55.0° |
| O5' | P1 | O11 | HO11 | 120.5° | 60.1° |
| P1 | O5' | C5' | C4' | 138.1° | 180.0° |
| P1 | O5' | C5' | H5' | 101.9° | 60.0° |
| P1 | O5' | C5' | H5'A | 18.2° | 60.0° |
| O11 | P1 | O5' | C5' | 153.5° | 65.0° |
| O2 | C2 | N3 | C4 | 178.9° | 180.0° |
| O2 | C2 | N3 | HN3 | 1.1° | 0.1° |
| C2 | N3 | C4 | HN3 | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.1° | 0.0° |
| C2 | N3 | C4 | O4 | 179.8° | 180.0° |
| O9 | P2 | O3 | O8 | 120.1° | 120.0° |
| O9 | P2 | O3 | P3 | 51.9° | 45.0° |
| O9 | P2 | O8 | HO8 | 0.0° | 180.0° |
| P2 | O3 | P3 | O5 | 141.1° | 40.1° |
| P2 | O3 | P3 | O6 | 20.0° | 80.0° |
| P2 | O3 | P3 | O7 | 100.6° | 160.0° |
| O3 | P2 | O8 | HO8 | 120.0° | 60.0° |
| O8 | P2 | O3 | P3 | 171.9° | 75.0° |
| N3 | C4 | C5 | O4 | 179.7° | 180.0° |
| N3 | C4 | C5 | C6 | 0.2° | 0.0° |
| N3 | C4 | C5 | C5M | 179.7° | 179.9° |
| HN3 | N3 | C4 | C5 | 179.8° | 179.9° |
| HN3 | N3 | C4 | O4 | 0.1° | 0.0° |
| O3 | P3 | O5 | O6 | 121.9° | 120.0° |
| O3 | P3 | O5 | O7 | 119.1° | 120.0° |
| O3 | P3 | O6 | O7 | 121.3° | 120.0° |
| O3 | P3 | O6 | HO6 | 119.6° | 60.0° |
| O3 | P3 | O7 | HO7 | 117.7° | 180.0° |
| O5 | P3 | O6 | O7 | 119.1° | 119.9° |
| O5 | P3 | O6 | HO6 | 0.0° | 179.9° |
| O5 | P3 | O7 | HO7 | 0.0° | 60.0° |
| O6 | P3 | O7 | HO7 | 120.0° | 60.0° |
| O7 | P3 | O6 | HO6 | 119.1° | 60.0° |
| C4 | C5 | C6 | C5M | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C4 | C5 | C5M | H5M | 180.0° | 0.0° |
| C4 | C5 | C5M | H5MA | 60.0° | 120.0° |
| C4 | C5 | C5M | H5MB | 60.0° | 120.0° |
| O4 | C4 | C5 | C6 | 179.9° | 180.0° |
| O4 | C4 | C5 | C5M | 0.0° | 0.0° |
| C6 | C5 | C5M | H5M | 0.0° | 180.0° |
| C6 | C5 | C5M | H5MA | 120.0° | 60.0° |
| C6 | C5 | C5M | H5MB | 120.0° | 60.0° |
| C5M | C5 | C6 | H6 | 0.1° | 0.0° |
| C5 | C5M | H5M | H5MA | 120.0° | 120.0° |
| C5 | C5M | H5M | H5MB | 120.0° | 120.0° |
| C5 | C5M | H5MA | H5MB | 120.0° | 120.0° |
| O4' | C1' | C2' | H1' | 120.8° | 118.6° |
| O4' | C1' | C2' | C3' | 37.2° | 36.9° |
| O4' | C1' | C2' | H2' | 82.8° | 155.2° |
| O4' | C1' | C2' | H2'A | 157.2° | 81.3° |
| C1' | O4' | C4' | C3' | 1.2° | 26.3° |
| C1' | O4' | C4' | C5' | 120.3° | 145.8° |
| C1' | C2' | C3' | H2' | 120.0° | 118.2° |
| C1' | C2' | C3' | H2'A | 120.0° | 118.2° |
| C1' | C2' | H2' | H2'A | 122.4° | 123.6° |
| C1' | C2' | C3' | O3' | 172.7° | 97.9° |
| C1' | C2' | C3' | C4' | 38.0° | 20.9° |
| C1' | C2' | C3' | H3' | 81.0° | 139.5° |
| C2' | C1' | O4' | C4' | 21.7° | 39.8° |
| H1' | C1' | C2' | C3' | 158.0° | 81.6° |
| H1' | C1' | C2' | H2' | 38.0° | 36.6° |
| H1' | C1' | C2' | H2'A | 82.0° | 160.2° |
| H1' | C1' | O4' | C4' | 142.5° | 78.8° |
| C3' | C2' | H2' | H2'A | 122.4° | 123.6° |
| C2' | C3' | O3' | C4' | 127.8° | 114.8° |
| C2' | C3' | O3' | H3' | 116.8° | 122.6° |
| C2' | C3' | C4' | H3' | 120.1° | 118.7° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.5° |
| C2' | C3' | C4' | C5' | 144.8° | 121.6° |
| C2' | C3' | C4' | O4' | 24.7° | 1.9° |
| H2' | C2' | C3' | O3' | 52.6° | 20.3° |
| H2' | C2' | C3' | C4' | 82.0° | 139.1° |
| H2' | C2' | C3' | H3' | 158.9° | 102.2° |
| H2'A | C2' | C3' | O3' | 67.3° | 144.0° |
| H2'A | C2' | C3' | C4' | 158.0° | 97.3° |
| H2'A | C2' | C3' | H3' | 39.0° | 21.4° |
| O3' | C3' | C4' | H3' | 106.0° | 122.6° |
| O3' | C3' | C4' | C5' | 81.2° | 119.7° |
| O3' | C3' | C4' | O4' | 158.7° | 120.6° |
| C4' | C3' | O3' | HO3' | 52.2° | 176.3° |
| C3' | C4' | C5' | O4' | 117.0° | 118.0° |
| C3' | C4' | C5' | O5' | 63.4° | 175.3° |
| C3' | C4' | C5' | H5' | 176.7° | 55.3° |
| C3' | C4' | C5' | H5'A | 56.6° | 64.7° |
| H3' | C3' | O3' | HO3' | 63.2° | 61.1° |
| H3' | C3' | C4' | C5' | 24.7° | 2.9° |
| H3' | C3' | C4' | O4' | 95.4° | 116.8° |
| C4' | C5' | O5' | H5' | 120.0° | 120.0° |
| C4' | C5' | O5' | H5'A | 120.0° | 120.0° |
| C4' | C5' | H5' | H5'A | 117.2° | 120.0° |
| O4' | C4' | C5' | O5' | 53.6° | 66.6° |
| O4' | C4' | C5' | H5' | 66.4° | 173.3° |
| O4' | C4' | C5' | H5'A | 173.6° | 53.3° |
| O5' | C5' | H5' | H5'A | 117.2° | 120.0° |
| H5M | C5M | H5MA | H5MB | 120.0° | 120.0° |
