6J2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | doub | 1.22Å | 1.25Å | |
| N3 | C2 | sing | 1.34Å | 1.34Å | |
| N3 | C4 | sing | 1.35Å | 1.37Å | |
| C2 | N1 | sing | 1.33Å | 1.35Å | |
| O4 | C4 | doub | 1.22Å | 1.24Å | |
| C4 | C4A | sing | 1.47Å | 1.49Å | |
| N1 | C10 | doub | 1.33Å | 1.32Å | |
| C4A | C10 | sing | 1.47Å | 1.46Å | |
| C4A | C5 | doub | 1.38Å | 1.40Å | |
| C10 | N10 | sing | 1.36Å | 1.40Å | |
| C5 | C5A | sing | 1.41Å | 1.41Å | |
| N10 | C1' | sing | 1.46Å | 1.48Å | |
| N10 | C9A | sing | 1.38Å | 1.41Å | |
| O4' | C4' | sing | 1.43Å | 1.46Å | |
| C5A | C9A | doub | 1.41Å | 1.46Å | Aromatic |
| C5A | C6 | sing | 1.41Å | 1.42Å | Aromatic |
| C1' | C2' | sing | 1.53Å | 1.50Å | |
| C9A | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C4' | C3' | sing | 1.53Å | 1.52Å | |
| C6 | C7 | doub | 1.36Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.35Å | Aromatic |
| C5' | O5' | sing | 1.43Å | 1.37Å | |
| C7 | C8 | sing | 1.40Å | 1.37Å | Aromatic |
| C8 | O8M | sing | 1.36Å | 1.37Å | |
| O3' | C3' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.53Å | 1.53Å | |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| O1P | P | doub | 1.48Å | 1.55Å | |
| O5' | P | sing | 1.61Å | 1.57Å | |
| P | O2P | sing | 1.61Å | 1.45Å | |
| P | O3P | sing | 1.61Å | 1.63Å | |
| O3P | C1I | sing | 1.43Å | 1.45Å | |
| C1I | C2I | sing | 1.53Å | 1.54Å | |
| C1I | C3I | sing | 1.51Å | 1.52Å | |
| C3I | O3I | doub | 1.21Å | 1.24Å | |
| C1I | H16 | sing | 1.09Å | 1.10Å | |
| C2I | H17 | sing | 1.09Å | 1.10Å | |
| C2I | H18 | sing | 1.09Å | 1.10Å | |
| C2I | H19 | sing | 1.09Å | 1.10Å | |
| O2P | H20 | sing | 0.97Å | 0.95Å | |
| C5' | H21 | sing | 1.09Å | 1.10Å | |
| C5' | H22 | sing | 1.09Å | 1.10Å | |
| C4' | H23 | sing | 1.09Å | 1.10Å | |
| O4' | H24 | sing | 0.97Å | 0.95Å | |
| C3' | H25 | sing | 1.09Å | 1.10Å | |
| O3' | H26 | sing | 0.97Å | 0.95Å | |
| C2' | H27 | sing | 1.09Å | 1.10Å | |
| O2' | H28 | sing | 0.97Å | 0.95Å | |
| C1' | H29 | sing | 1.09Å | 1.10Å | |
| C1' | H30 | sing | 1.09Å | 1.10Å | |
| C9 | H31 | sing | 1.08Å | 1.08Å | |
| O8M | H32 | sing | 0.97Å | 0.95Å | |
| C7 | H33 | sing | 1.08Å | 1.08Å | |
| C6 | H34 | sing | 1.08Å | 1.08Å | |
| C5 | H35 | sing | 1.08Å | 1.08Å | |
| N3 | H37 | sing | 0.97Å | 1.00Å | |
| C3I | OXT | sing | 1.34Å | 1.30Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | N3 | 122.3° | 118.0° |
| O2 | C2 | N1 | 116.0° | 118.0° |
| C2 | N3 | C4 | 122.8° | 121.1° |
| N3 | C2 | N1 | 121.7° | 124.1° |
| C2 | N3 | H37 | 118.6° | 119.4° |
| N3 | C4 | O4 | 126.8° | 121.4° |
| N3 | C4 | C4A | 117.0° | 117.2° |
| C4 | N3 | H37 | 118.6° | 119.4° |
| C2 | N1 | C10 | 122.1° | 121.5° |
| O4 | C4 | C4A | 116.2° | 121.4° |
| C4 | C4A | C10 | 116.0° | 117.8° |
| C4 | C4A | C5 | 123.1° | 122.3° |
| N1 | C10 | C4A | 120.2° | 118.4° |
| N1 | C10 | N10 | 118.0° | 121.9° |
| C10 | C4A | C5 | 120.9° | 120.0° |
| C4A | C10 | N10 | 121.7° | 119.7° |
| C4A | C5 | C5A | 116.7° | 118.8° |
| C4A | C5 | H35 | 121.7° | 120.6° |
| C10 | N10 | C1' | 115.6° | 119.8° |
| C10 | N10 | C9A | 117.8° | 120.4° |
| C5 | C5A | C9A | 122.6° | 120.2° |
| C5 | C5A | C6 | 118.9° | 120.0° |
| C5A | C5 | H35 | 121.6° | 120.6° |
| C1' | N10 | C9A | 126.5° | 119.8° |
| N10 | C1' | C2' | 114.5° | 109.5° |
| N10 | C1' | H29 | 108.2° | 109.5° |
| N10 | C1' | H30 | 108.2° | 109.5° |
| N10 | C9A | C5A | 119.8° | 120.9° |
| N10 | C9A | C9 | 120.8° | 119.7° |
| O4' | C4' | C5' | 110.2° | 109.5° |
| O4' | C4' | C3' | 114.1° | 109.4° |
| O4' | C4' | H23 | 108.6° | 109.5° |
| C4' | O4' | H24 | 109.5° | 114.0° |
| C9A | C5A | C6 | 118.5° | 119.7° |
| C5A | C9A | C9 | 119.3° | 119.3° |
| C5A | C6 | C7 | 118.1° | 119.9° |
| C5A | C6 | H34 | 120.9° | 120.0° |
| C1' | C2' | C3' | 112.7° | 109.5° |
| C1' | C2' | O2' | 107.2° | 109.4° |
| C1' | C2' | H27 | 108.4° | 109.5° |
| C2' | C1' | H29 | 108.2° | 109.5° |
| C2' | C1' | H30 | 108.2° | 109.5° |
| C9A | C9 | C8 | 120.2° | 119.9° |
| C9A | C9 | H31 | 119.9° | 120.0° |
| C5' | C4' | C3' | 108.0° | 109.5° |
| C4' | C5' | O5' | 111.5° | 109.5° |
| C4' | C5' | H21 | 109.0° | 109.4° |
| C4' | C5' | H22 | 109.0° | 109.4° |
| C5' | C4' | H23 | 107.9° | 109.4° |
| C4' | C3' | O3' | 106.9° | 109.5° |
| C4' | C3' | C2' | 111.1° | 109.5° |
| C3' | C4' | H23 | 107.8° | 109.5° |
| C4' | C3' | H25 | 110.0° | 109.4° |
| C6 | C7 | C8 | 122.8° | 120.6° |
| C6 | C7 | H33 | 118.6° | 119.7° |
| C7 | C6 | H34 | 121.0° | 120.1° |
| C9 | C8 | C7 | 121.1° | 120.5° |
| C9 | C8 | O8M | 118.0° | 119.8° |
| C8 | C9 | H31 | 119.9° | 120.0° |
| C5' | O5' | P | 130.8° | 123.0° |
| O5' | C5' | H21 | 109.0° | 109.5° |
| O5' | C5' | H22 | 109.0° | 109.5° |
| C7 | C8 | O8M | 120.9° | 119.7° |
| C8 | C7 | H33 | 118.6° | 119.7° |
| C8 | O8M | H32 | 109.5° | 114.0° |
| O3' | C3' | C2' | 107.6° | 109.5° |
| O3' | C3' | H25 | 111.4° | 109.4° |
| C3' | O3' | H26 | 109.5° | 113.9° |
| C3' | C2' | O2' | 111.1° | 109.5° |
| C2' | C3' | H25 | 109.8° | 109.5° |
| C3' | C2' | H27 | 108.0° | 109.5° |
| O2' | C2' | H27 | 109.5° | 109.5° |
| C2' | O2' | H28 | 109.5° | 114.0° |
| O1P | P | O5' | 104.6° | 109.4° |
| O1P | P | O2P | 121.3° | 109.4° |
| O1P | P | O3P | 100.5° | 109.5° |
| O5' | P | O2P | 119.9° | 109.5° |
| O5' | P | O3P | 110.1° | 109.5° |
| O2P | P | O3P | 98.2° | 109.5° |
| P | O2P | H20 | 109.5° | 114.0° |
| P | O3P | C1I | 119.8° | 123.0° |
| O3P | C1I | C2I | 115.9° | 109.5° |
| O3P | C1I | C3I | 106.0° | 109.5° |
| O3P | C1I | H16 | 109.0° | 109.5° |
| C2I | C1I | C3I | 109.7° | 109.4° |
| C2I | C1I | H16 | 107.9° | 109.5° |
| C1I | C2I | H17 | 109.5° | 109.5° |
| C1I | C2I | H18 | 109.5° | 109.5° |
| C1I | C2I | H19 | 109.5° | 109.4° |
| C1I | C3I | O3I | 122.1° | 120.0° |
| C3I | C1I | H16 | 108.1° | 109.4° |
| C1I | C3I | OXT | 111.2° | 120.0° |
| O3I | C3I | OXT | 126.3° | 120.0° |
| H17 | C2I | H18 | 109.5° | 109.5° |
| H17 | C2I | H19 | 109.5° | 109.4° |
| H18 | C2I | H19 | 109.4° | 109.5° |
| H21 | C5' | H22 | 109.5° | 109.5° |
| H29 | C1' | H30 | 109.5° | 109.5° |
| C3I | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | N3 | N1 | 178.5° | 179.6° |
| O2 | C2 | N3 | C4 | 177.6° | 180.0° |
| O2 | C2 | N1 | C10 | 176.3° | 179.7° |
| O2 | C2 | N3 | H37 | 2.4° | 0.3° |
| C2 | N3 | C4 | H37 | 180.0° | 179.7° |
| C2 | N3 | C4 | O4 | 178.5° | 179.8° |
| C2 | N3 | C4 | C4A | 0.3° | 0.3° |
| N3 | C2 | N1 | C10 | 5.1° | 0.0° |
| C4 | N3 | C2 | N1 | 3.9° | 0.3° |
| N3 | C4 | O4 | C4A | 178.8° | 179.9° |
| N3 | C4 | C4A | C10 | 3.2° | 0.0° |
| N3 | C4 | C4A | C5 | 176.6° | 179.5° |
| C2 | N1 | C10 | C4A | 1.8° | 0.2° |
| C2 | N1 | C10 | N10 | 178.9° | 180.0° |
| N1 | C2 | N3 | H37 | 176.1° | 180.0° |
| O4 | C4 | C4A | C10 | 175.7° | 179.9° |
| O4 | C4 | C4A | C5 | 4.4° | 0.4° |
| O4 | C4 | N3 | H37 | 1.5° | 0.1° |
| C4 | C4A | C10 | N1 | 2.2° | 0.2° |
| C4 | C4A | C10 | C5 | 179.8° | 179.5° |
| C4 | C4A | C10 | N10 | 174.7° | 180.0° |
| C4 | C4A | C5 | C5A | 172.3° | 179.7° |
| C4 | C4A | C5 | H35 | 7.8° | 0.3° |
| C4A | C4 | N3 | H37 | 179.6° | 180.0° |
| N1 | C10 | C4A | N10 | 176.9° | 179.7° |
| N1 | C10 | C4A | C5 | 177.6° | 179.7° |
| N1 | C10 | N10 | C1' | 0.9° | 0.0° |
| N1 | C10 | N10 | C9A | 175.4° | 179.7° |
| C10 | C4A | C5 | C5A | 7.9° | 0.2° |
| C4A | C10 | N10 | C1' | 177.9° | 179.7° |
| C4A | C10 | N10 | C9A | 1.6° | 0.6° |
| C10 | C4A | C5 | H35 | 172.1° | 179.8° |
| C5 | C4A | C10 | N10 | 5.4° | 0.5° |
| C4A | C5 | C5A | H35 | 180.0° | 180.0° |
| C4A | C5 | C5A | C9A | 4.0° | 0.1° |
| C4A | C5 | C5A | C6 | 174.6° | 180.0° |
| C10 | N10 | C1' | C9A | 175.9° | 179.7° |
| C10 | N10 | C9A | C5A | 5.5° | 0.3° |
| C10 | N10 | C1' | C2' | 80.1° | 90.3° |
| C10 | N10 | C9A | C9 | 177.6° | 179.7° |
| C10 | N10 | C1' | H29 | 40.6° | 149.7° |
| C10 | N10 | C1' | H30 | 159.1° | 29.7° |
| C5 | C5A | C9A | N10 | 2.9° | 0.0° |
| C5 | C5A | C9A | C6 | 178.6° | 179.9° |
| C5 | C5A | C9A | C9 | 179.7° | 180.0° |
| C5 | C5A | C6 | C7 | 178.6° | 180.0° |
| C5 | C5A | C6 | H34 | 1.4° | 0.1° |
| C1' | N10 | C9A | C5A | 178.6° | 180.0° |
| N10 | C1' | C2' | H29 | 120.7° | 120.0° |
| N10 | C1' | C2' | H30 | 120.7° | 120.0° |
| C1' | N10 | C9A | C9 | 1.8° | 0.0° |
| N10 | C1' | C2' | C3' | 168.6° | 180.0° |
| N10 | C1' | C2' | O2' | 69.0° | 60.0° |
| N10 | C1' | C2' | H27 | 49.1° | 60.0° |
| N10 | C1' | H29 | H30 | 117.7° | 120.0° |
| N10 | C9A | C5A | C9 | 176.9° | 180.0° |
| N10 | C9A | C5A | C6 | 178.6° | 179.9° |
| C9A | N10 | C1' | C2' | 95.8° | 90.0° |
| N10 | C9A | C9 | C8 | 179.2° | 180.0° |
| C9A | N10 | C1' | H29 | 143.4° | 30.0° |
| C9A | N10 | C1' | H30 | 24.9° | 150.0° |
| N10 | C9A | C9 | H31 | 0.8° | 0.0° |
| O4' | C4' | C5' | C3' | 125.3° | 120.0° |
| O4' | C4' | C5' | H23 | 118.4° | 120.0° |
| O4' | C4' | C3' | H23 | 120.7° | 120.0° |
| O4' | C4' | C5' | O5' | 60.9° | 65.0° |
| O4' | C4' | C3' | O3' | 151.4° | 180.0° |
| O4' | C4' | C3' | C2' | 34.2° | 60.0° |
| O4' | C4' | C5' | H21 | 59.4° | 55.0° |
| O4' | C4' | C5' | H22 | 178.8° | 175.0° |
| O4' | C4' | C3' | H25 | 87.6° | 60.1° |
| C9A | C5A | C6 | C7 | 0.0° | 0.1° |
| C5A | C9A | C9 | C8 | 2.3° | 0.0° |
| C5A | C9A | C9 | H31 | 177.7° | 180.0° |
| C9A | C5A | C6 | H34 | 180.0° | 180.0° |
| C9A | C5A | C5 | H35 | 176.0° | 179.9° |
| C6 | C5A | C9A | C9 | 1.7° | 0.1° |
| C5A | C6 | C7 | H34 | 180.0° | 179.9° |
| C5A | C6 | C7 | C8 | 1.2° | 0.1° |
| C5A | C6 | C7 | H33 | 178.8° | 180.0° |
| C6 | C5A | C5 | H35 | 5.4° | 0.0° |
| C1' | C2' | C3' | C4' | 57.5° | 180.0° |
| C1' | C2' | C3' | O3' | 59.1° | 60.0° |
| C1' | C2' | C3' | O2' | 120.3° | 120.0° |
| C1' | C2' | C3' | H27 | 119.7° | 120.0° |
| C1' | C2' | O2' | H27 | 117.4° | 120.0° |
| C1' | C2' | C3' | H25 | 179.4° | 60.0° |
| C1' | C2' | O2' | H28 | 180.0° | 60.0° |
| C2' | C1' | H29 | H30 | 117.7° | 120.0° |
| C9A | C9 | C8 | H31 | 180.0° | 179.9° |
| C9A | C9 | C8 | C7 | 1.1° | 0.1° |
| C9A | C9 | C8 | O8M | 179.5° | 180.0° |
| C5' | C4' | C3' | H23 | 116.3° | 120.0° |
| C4' | C5' | O5' | H21 | 120.3° | 120.0° |
| C4' | C5' | O5' | H22 | 120.3° | 120.0° |
| C5' | C4' | C3' | O3' | 85.6° | 60.0° |
| C5' | C4' | C3' | C2' | 157.2° | 180.0° |
| C4' | C5' | O5' | P | 160.3° | 180.0° |
| C4' | C5' | H21 | H22 | 119.1° | 119.9° |
| C5' | C4' | O4' | H24 | 147.5° | 60.0° |
| C5' | C4' | C3' | H25 | 35.4° | 60.0° |
| C3' | C4' | C5' | O5' | 64.4° | 175.0° |
| C4' | C3' | O3' | C2' | 119.4° | 120.1° |
| C4' | C3' | O3' | H25 | 120.1° | 119.9° |
| C4' | C3' | C2' | H25 | 121.9° | 120.0° |
| C4' | C3' | C2' | O2' | 177.8° | 60.0° |
| C3' | C4' | C5' | H21 | 175.3° | 65.0° |
| C3' | C4' | C5' | H22 | 55.9° | 55.0° |
| C3' | C4' | O4' | H24 | 90.8° | 60.0° |
| C4' | C3' | O3' | H26 | 180.0° | 60.0° |
| C4' | C3' | C2' | H27 | 62.1° | 60.0° |
| C6 | C7 | C8 | C9 | 0.7° | 0.1° |
| C6 | C7 | C8 | H33 | 180.0° | 179.9° |
| C6 | C7 | C8 | O8M | 177.6° | 180.0° |
| C9 | C8 | C7 | O8M | 178.3° | 179.9° |
| C9 | C8 | O8M | H32 | 180.0° | 89.9° |
| C9 | C8 | C7 | H33 | 179.3° | 180.0° |
| C5' | O5' | P | O1P | 9.1° | 55.0° |
| C5' | O5' | P | O2P | 131.1° | 65.0° |
| C5' | O5' | P | O3P | 116.3° | 175.0° |
| O5' | C5' | H21 | H22 | 119.1° | 120.0° |
| O5' | C5' | C4' | H23 | 179.4° | 55.0° |
| C7 | C8 | C9 | H31 | 178.8° | 180.0° |
| C7 | C8 | O8M | H32 | 1.7° | 90.0° |
| C8 | C7 | C6 | H34 | 178.8° | 180.0° |
| O8M | C8 | C9 | H31 | 0.5° | 0.0° |
| O8M | C8 | C7 | H33 | 2.4° | 0.1° |
| O3' | C3' | C2' | H25 | 121.4° | 120.0° |
| O3' | C3' | C2' | O2' | 61.1° | 180.0° |
| O3' | C3' | C4' | H23 | 30.7° | 60.0° |
| O3' | C3' | C2' | H27 | 178.8° | 60.0° |
| C3' | C2' | O2' | H27 | 119.2° | 120.0° |
| C2' | C3' | C4' | H23 | 86.4° | 60.0° |
| C2' | C3' | O3' | H26 | 60.5° | 60.0° |
| C3' | C2' | O2' | H28 | 56.5° | 60.0° |
| C3' | C2' | C1' | H29 | 47.8° | 60.0° |
| C3' | C2' | C1' | H30 | 70.7° | 60.0° |
| O2' | C2' | C3' | H25 | 60.3° | 60.0° |
| O2' | C2' | C1' | H29 | 170.3° | 60.0° |
| O2' | C2' | C1' | H30 | 51.8° | 180.0° |
| O1P | P | O5' | O2P | 140.2° | 119.9° |
| O1P | P | O5' | O3P | 107.2° | 120.0° |
| O1P | P | O2P | O3P | 107.6° | 120.1° |
| O1P | P | O3P | C1I | 52.9° | 55.0° |
| O1P | P | O2P | H20 | 0.0° | 179.9° |
| O5' | P | O2P | O3P | 118.8° | 120.0° |
| O5' | P | O3P | C1I | 57.1° | 175.0° |
| O5' | P | O2P | H20 | 133.6° | 60.0° |
| P | O5' | C5' | H21 | 40.0° | 60.0° |
| P | O5' | C5' | H22 | 79.4° | 60.0° |
| O2P | P | O3P | C1I | 176.9° | 65.0° |
| P | O3P | C1I | C2I | 101.2° | 120.0° |
| P | O3P | C1I | C3I | 136.8° | 120.0° |
| P | O3P | C1I | H16 | 20.7° | 0.0° |
| O3P | P | O2P | H20 | 107.6° | 60.0° |
| O3P | C1I | C2I | C3I | 120.0° | 120.0° |
| O3P | C1I | C2I | H16 | 122.5° | 120.1° |
| O3P | C1I | C3I | H16 | 116.7° | 120.0° |
| O3P | C1I | C3I | O3I | 35.2° | 5.0° |
| O3P | C1I | C2I | H17 | 180.0° | 59.9° |
| O3P | C1I | C2I | H18 | 60.0° | 180.0° |
| O3P | C1I | C2I | H19 | 60.0° | 60.0° |
| O3P | C1I | C3I | OXT | 137.9° | 175.3° |
| C2I | C1I | C3I | H16 | 117.4° | 119.9° |
| C2I | C1I | C3I | O3I | 90.7° | 115.0° |
| C1I | C2I | H17 | H18 | 120.0° | 120.0° |
| C1I | C2I | H17 | H19 | 120.0° | 119.9° |
| C1I | C2I | H18 | H19 | 120.0° | 120.0° |
| C2I | C1I | C3I | OXT | 96.2° | 64.7° |
| C1I | C3I | O3I | OXT | 172.0° | 179.7° |
| C3I | C1I | C2I | H17 | 60.0° | 60.1° |
| C3I | C1I | C2I | H18 | 180.0° | 60.0° |
| C3I | C1I | C2I | H19 | 60.0° | 180.0° |
| C1I | C3I | OXT | HXT | 172.7° | 179.8° |
| O3I | C3I | C1I | H16 | 152.0° | 125.0° |
| O3I | C3I | OXT | HXT | 0.0° | 0.1° |
| H16 | C1I | C2I | H17 | 57.5° | 180.0° |
| H16 | C1I | C2I | H18 | 62.5° | 59.9° |
| H16 | C1I | C2I | H19 | 177.5° | 60.1° |
| H16 | C1I | C3I | OXT | 21.2° | 55.3° |
| H17 | C2I | H18 | H19 | 120.0° | 120.0° |
| H21 | C5' | C4' | H23 | 59.1° | 175.0° |
| H22 | C5' | C4' | H23 | 60.3° | 65.0° |
| H23 | C4' | O4' | H24 | 29.4° | 180.0° |
| H23 | C4' | C3' | H25 | 151.8° | 180.0° |
| H25 | C3' | O3' | H26 | 59.9° | 180.0° |
| H25 | C3' | C2' | H27 | 59.8° | 180.0° |
| H27 | C2' | O2' | H28 | 62.7° | 180.0° |
| H27 | C2' | C1' | H29 | 71.6° | 180.0° |
| H27 | C2' | C1' | H30 | 169.8° | 60.0° |
| H33 | C7 | C6 | H34 | 1.2° | 0.1° |
