PRX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2' | C2' | sing | 1.43Å | 1.41Å | |
| O2' | H2' | sing | 0.97Å | 0.95Å | |
| C2' | C1' | sing | 1.54Å | 1.61Å | |
| C2' | C3' | sing | 1.55Å | 1.60Å | |
| C2' | H1 | sing | 1.09Å | 1.10Å | |
| C1' | O4' | sing | 1.44Å | 1.45Å | |
| C1' | N9 | sing | 1.47Å | 1.49Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| O4' | C4' | sing | 1.44Å | 1.48Å | |
| C4' | C5' | sing | 1.53Å | 1.54Å | |
| C4' | C3' | sing | 1.54Å | 1.66Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | O5' | sing | 1.43Å | 1.46Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| O5' | P | sing | 1.61Å | 1.63Å | |
| P | O1P | doub | 1.48Å | 1.47Å | |
| P | O2P | sing | 1.61Å | 1.49Å | |
| P | O3P | sing | 1.61Å | 1.52Å | |
| O2P | H2P | sing | 0.97Å | 0.95Å | |
| O3P | C1P | sing | 1.43Å | 1.47Å | |
| C1P | C2P | sing | 1.53Å | 1.51Å | |
| C1P | H1P1 | sing | 1.09Å | 1.10Å | |
| C1P | H1P2 | sing | 1.09Å | 1.10Å | |
| C2P | C3P | sing | 1.53Å | 1.51Å | |
| C2P | H2P1 | sing | 1.09Å | 1.10Å | |
| C2P | H2P2 | sing | 1.09Å | 1.10Å | |
| C3P | H3P1 | sing | 1.09Å | 1.10Å | |
| C3P | H3P2 | sing | 1.09Å | 1.10Å | |
| C3P | H3P3 | sing | 1.09Å | 1.10Å | |
| C3' | O3' | sing | 1.43Å | 1.50Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | H2 | sing | 0.97Å | 0.95Å | |
| N9 | C8 | sing | 1.36Å | 1.40Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.36Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.35Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.42Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.42Å | Aromatic |
| C4 | N3 | sing | 1.33Å | 1.36Å | Aromatic |
| N3 | C2 | doub | 1.32Å | 1.35Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.35Å | Aromatic |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| N1 | C6 | doub | 1.33Å | 1.40Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.38Å | |
| N6 | HN61 | sing | 0.97Å | 1.00Å | |
| N6 | HN62 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2' | O2' | H2' | 109.5° | 114.0° |
| O2' | C2' | C1' | 108.6° | 110.5° |
| O2' | C2' | C3' | 113.4° | 110.5° |
| O2' | C2' | H1 | 111.9° | 110.4° |
| C1' | C2' | C3' | 104.1° | 104.1° |
| C1' | C2' | H1 | 109.1° | 110.5° |
| C2' | C1' | O4' | 106.6° | 104.8° |
| C2' | C1' | N9 | 110.7° | 110.4° |
| C2' | C1' | H1' | 108.9° | 110.4° |
| C3' | C2' | H1 | 109.3° | 110.7° |
| C2' | C3' | C4' | 97.8° | 104.1° |
| C2' | C3' | O3' | 116.9° | 110.5° |
| C2' | C3' | H3' | 111.5° | 110.5° |
| O4' | C1' | N9 | 109.1° | 110.4° |
| O4' | C1' | H1' | 111.1° | 110.4° |
| C1' | O4' | C4' | 111.0° | 105.3° |
| N9 | C1' | H1' | 110.5° | 110.4° |
| C1' | N9 | C8 | 128.5° | 126.3° |
| C1' | N9 | C4 | 127.5° | 126.3° |
| O4' | C4' | C5' | 110.2° | 110.3° |
| O4' | C4' | C3' | 106.8° | 104.8° |
| O4' | C4' | H4' | 110.5° | 110.4° |
| C5' | C4' | C3' | 111.4° | 110.4° |
| C5' | C4' | H4' | 109.6° | 110.3° |
| C4' | C5' | O5' | 105.9° | 109.5° |
| C4' | C5' | H5'1 | 110.4° | 109.5° |
| C4' | C5' | H5'2 | 110.4° | 109.5° |
| C3' | C4' | H4' | 108.2° | 110.5° |
| C4' | C3' | O3' | 105.7° | 110.5° |
| C4' | C3' | H3' | 110.7° | 110.5° |
| O5' | C5' | H5'1 | 110.4° | 109.5° |
| O5' | C5' | H5'2 | 110.4° | 109.5° |
| C5' | O5' | P | 118.9° | 123.0° |
| H5'1 | C5' | H5'2 | 109.4° | 109.4° |
| O5' | P | O1P | 102.7° | 109.4° |
| O5' | P | O2P | 105.5° | 109.5° |
| O5' | P | O3P | 106.7° | 109.5° |
| O1P | P | O2P | 113.5° | 109.5° |
| O1P | P | O3P | 113.8° | 109.5° |
| O2P | P | O3P | 113.5° | 109.5° |
| P | O2P | H2P | 109.5° | 114.0° |
| P | O3P | C1P | 124.6° | 123.0° |
| O3P | C1P | C2P | 116.2° | 109.5° |
| O3P | C1P | H1P1 | 107.8° | 109.4° |
| O3P | C1P | H1P2 | 107.8° | 109.5° |
| C2P | C1P | H1P1 | 107.8° | 109.5° |
| C2P | C1P | H1P2 | 107.8° | 109.5° |
| C1P | C2P | C3P | 111.1° | 109.5° |
| C1P | C2P | H2P1 | 109.1° | 109.4° |
| C1P | C2P | H2P2 | 109.1° | 109.4° |
| H1P1 | C1P | H1P2 | 109.5° | 109.5° |
| C3P | C2P | H2P1 | 109.0° | 109.5° |
| C3P | C2P | H2P2 | 109.1° | 109.5° |
| C2P | C3P | H3P1 | 109.5° | 109.5° |
| C2P | C3P | H3P2 | 109.5° | 109.5° |
| C2P | C3P | H3P3 | 109.5° | 109.5° |
| H2P1 | C2P | H2P2 | 109.5° | 109.5° |
| H3P1 | C3P | H3P2 | 109.5° | 109.4° |
| H3P1 | C3P | H3P3 | 109.5° | 109.4° |
| H3P2 | C3P | H3P3 | 109.4° | 109.5° |
| O3' | C3' | H3' | 112.9° | 110.5° |
| C3' | O3' | H2 | 109.5° | 114.1° |
| C8 | N9 | C4 | 104.1° | 107.5° |
| N9 | C8 | N7 | 117.5° | 110.0° |
| N9 | C8 | H8 | 121.3° | 125.0° |
| N9 | C4 | C5 | 105.7° | 106.0° |
| N9 | C4 | N3 | 126.0° | 134.9° |
| N7 | C8 | H8 | 121.3° | 125.0° |
| C8 | N7 | C5 | 99.0° | 109.4° |
| N7 | C5 | C4 | 113.8° | 107.2° |
| N7 | C5 | C6 | 130.8° | 134.6° |
| C4 | C5 | C6 | 115.4° | 118.2° |
| C5 | C4 | N3 | 128.3° | 119.1° |
| C5 | C6 | N1 | 115.8° | 118.5° |
| C5 | C6 | N6 | 119.0° | 120.8° |
| C4 | N3 | C2 | 112.2° | 120.7° |
| N3 | C2 | N1 | 125.1° | 122.5° |
| N3 | C2 | H3 | 117.4° | 118.8° |
| N1 | C2 | H3 | 117.4° | 118.7° |
| C2 | N1 | C6 | 123.1° | 121.2° |
| N1 | C6 | N6 | 125.1° | 120.7° |
| C6 | N6 | HN61 | 109.5° | 120.0° |
| C6 | N6 | HN62 | 109.5° | 120.0° |
| HN61 | N6 | HN62 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2' | C2' | C1' | C3' | 121.1° | 118.6° |
| O2' | C2' | C1' | H1 | 122.2° | 122.5° |
| O2' | C2' | C3' | H1 | 125.7° | 122.6° |
| O2' | C2' | C1' | O4' | 92.7° | 142.6° |
| O2' | C2' | C1' | N9 | 148.8° | 98.5° |
| O2' | C2' | C1' | H1' | 27.2° | 23.8° |
| O2' | C2' | C3' | C4' | 82.7° | 118.7° |
| O2' | C2' | C3' | O3' | 29.3° | 0.0° |
| O2' | C2' | C3' | H3' | 161.3° | 122.7° |
| H2' | O2' | C2' | C1' | 180.0° | 180.0° |
| H2' | O2' | C2' | C3' | 64.8° | 65.3° |
| H2' | O2' | C2' | H1 | 59.5° | 57.4° |
| C1' | C2' | C3' | H1 | 116.5° | 118.7° |
| C2' | C1' | O4' | N9 | 119.5° | 118.8° |
| C2' | C1' | O4' | H1' | 118.4° | 118.8° |
| C2' | C1' | N9 | H1' | 120.7° | 122.3° |
| C2' | C1' | O4' | C4' | 6.9° | 40.5° |
| C1' | C2' | C3' | C4' | 35.1° | 0.0° |
| C1' | C2' | C3' | O3' | 147.1° | 118.7° |
| C1' | C2' | C3' | H3' | 80.9° | 118.6° |
| C2' | C1' | N9 | C8 | 107.3° | 95.0° |
| C2' | C1' | N9 | C4 | 73.0° | 84.7° |
| C3' | C2' | C1' | O4' | 28.4° | 24.0° |
| C3' | C2' | C1' | N9 | 90.1° | 142.8° |
| C3' | C2' | C1' | H1' | 148.3° | 94.8° |
| C2' | C3' | C4' | O4' | 32.3° | 24.0° |
| C2' | C3' | C4' | C5' | 152.8° | 142.8° |
| C2' | C3' | C4' | O3' | 120.9° | 118.7° |
| C2' | C3' | C4' | H3' | 116.6° | 118.6° |
| C2' | C3' | C4' | H4' | 86.6° | 94.9° |
| C2' | C3' | O3' | H3' | 131.4° | 122.7° |
| C2' | C3' | O3' | H2 | 180.0° | 61.4° |
| H1 | C2' | C1' | O4' | 145.0° | 94.8° |
| H1 | C2' | C1' | N9 | 26.5° | 24.0° |
| H1 | C2' | C1' | H1' | 95.1° | 146.3° |
| H1 | C2' | C3' | C4' | 151.6° | 118.7° |
| H1 | C2' | C3' | O3' | 96.4° | 122.6° |
| H1 | C2' | C3' | H3' | 35.6° | 0.1° |
| O4' | C1' | N9 | H1' | 122.4° | 122.3° |
| C1' | O4' | C4' | C5' | 137.8° | 159.4° |
| C1' | O4' | C4' | C3' | 16.6° | 40.5° |
| C1' | O4' | C4' | H4' | 100.8° | 78.4° |
| O4' | C1' | N9 | C8 | 9.7° | 20.4° |
| O4' | C1' | N9 | C4 | 170.1° | 159.9° |
| N9 | C1' | O4' | C4' | 112.6° | 159.3° |
| C1' | N9 | C8 | C4 | 179.8° | 179.8° |
| C1' | N9 | C8 | N7 | 179.7° | 180.0° |
| C1' | N9 | C8 | H8 | 0.3° | 0.0° |
| C1' | N9 | C4 | C5 | 179.7° | 179.8° |
| C1' | N9 | C4 | N3 | 0.4° | 0.1° |
| H1' | C1' | O4' | C4' | 125.4° | 78.3° |
| H1' | C1' | N9 | C8 | 132.1° | 142.7° |
| H1' | C1' | N9 | C4 | 47.7° | 37.6° |
| O4' | C4' | C5' | C3' | 118.4° | 115.4° |
| O4' | C4' | C5' | H4' | 121.8° | 122.2° |
| O4' | C4' | C3' | H4' | 119.0° | 118.9° |
| O4' | C4' | C5' | O5' | 70.3° | 66.5° |
| O4' | C4' | C5' | H5'1 | 170.3° | 173.5° |
| O4' | C4' | C5' | H5'2 | 49.2° | 53.6° |
| O4' | C4' | C3' | O3' | 153.2° | 142.6° |
| O4' | C4' | C3' | H3' | 84.2° | 94.7° |
| C5' | C4' | C3' | H4' | 120.6° | 122.3° |
| C4' | C5' | O5' | H5'1 | 119.4° | 120.0° |
| C4' | C5' | O5' | H5'2 | 119.5° | 120.0° |
| C4' | C5' | H5'1 | H5'2 | 121.6° | 120.0° |
| C4' | C5' | O5' | P | 178.7° | 179.9° |
| C5' | C4' | C3' | O3' | 86.3° | 98.6° |
| C5' | C4' | C3' | H3' | 36.2° | 24.1° |
| C3' | C4' | C5' | O5' | 171.3° | 178.2° |
| C3' | C4' | C5' | H5'1 | 51.8° | 58.2° |
| C3' | C4' | C5' | H5'2 | 69.3° | 61.8° |
| C4' | C3' | O3' | H3' | 121.1° | 122.7° |
| C4' | C3' | O3' | H2 | 72.5° | 176.1° |
| H4' | C4' | C5' | O5' | 51.5° | 55.7° |
| H4' | C4' | C5' | H5'1 | 67.9° | 64.2° |
| H4' | C4' | C5' | H5'2 | 171.0° | 175.8° |
| H4' | C4' | C3' | O3' | 34.3° | 23.8° |
| H4' | C4' | C3' | H3' | 156.8° | 146.5° |
| O5' | C5' | H5'1 | H5'2 | 121.7° | 120.0° |
| C5' | O5' | P | O1P | 66.0° | 55.0° |
| C5' | O5' | P | O2P | 174.9° | 64.9° |
| C5' | O5' | P | O3P | 53.9° | 175.0° |
| H5'1 | C5' | O5' | P | 61.8° | 59.9° |
| H5'2 | C5' | O5' | P | 59.3° | 60.0° |
| O5' | P | O1P | O2P | 113.4° | 120.0° |
| O5' | P | O1P | O3P | 114.9° | 120.0° |
| O5' | P | O2P | O3P | 116.4° | 120.0° |
| O5' | P | O2P | H2P | 111.7° | 60.0° |
| O5' | P | O3P | C1P | 69.6° | 174.9° |
| O1P | P | O2P | O3P | 131.9° | 120.0° |
| O1P | P | O2P | H2P | 0.0° | 180.0° |
| O1P | P | O3P | C1P | 177.9° | 54.9° |
| O2P | P | O3P | C1P | 46.1° | 65.1° |
| O3P | P | O2P | H2P | 131.9° | 60.0° |
| P | O3P | C1P | C2P | 172.0° | 180.0° |
| P | O3P | C1P | H1P1 | 51.0° | 60.1° |
| P | O3P | C1P | H1P2 | 67.0° | 59.9° |
| O3P | C1P | C2P | H1P1 | 121.0° | 119.9° |
| O3P | C1P | C2P | H1P2 | 121.0° | 120.0° |
| O3P | C1P | H1P1 | H1P2 | 117.0° | 120.0° |
| O3P | C1P | C2P | C3P | 62.7° | 179.9° |
| O3P | C1P | C2P | H2P1 | 177.1° | 60.0° |
| O3P | C1P | C2P | H2P2 | 57.6° | 60.0° |
| C2P | C1P | H1P1 | H1P2 | 116.9° | 120.0° |
| C1P | C2P | C3P | H2P1 | 120.2° | 120.0° |
| C1P | C2P | C3P | H2P2 | 120.3° | 119.9° |
| C1P | C2P | H2P1 | H2P2 | 119.3° | 120.0° |
| C1P | C2P | C3P | H3P1 | 180.0° | 60.0° |
| C1P | C2P | C3P | H3P2 | 60.0° | 180.0° |
| C1P | C2P | C3P | H3P3 | 60.0° | 60.0° |
| H1P1 | C1P | C2P | C3P | 58.3° | 60.0° |
| H1P1 | C1P | C2P | H2P1 | 61.9° | 180.0° |
| H1P1 | C1P | C2P | H2P2 | 178.5° | 60.0° |
| H1P2 | C1P | C2P | C3P | 176.3° | 60.0° |
| H1P2 | C1P | C2P | H2P1 | 56.1° | 60.0° |
| H1P2 | C1P | C2P | H2P2 | 63.4° | 180.0° |
| C3P | C2P | H2P1 | H2P2 | 119.3° | 120.0° |
| C2P | C3P | H3P1 | H3P2 | 120.0° | 120.0° |
| C2P | C3P | H3P1 | H3P3 | 120.0° | 120.1° |
| C2P | C3P | H3P2 | H3P3 | 120.0° | 120.1° |
| H2P1 | C2P | C3P | H3P1 | 59.8° | 60.0° |
| H2P1 | C2P | C3P | H3P2 | 179.8° | 60.0° |
| H2P1 | C2P | C3P | H3P3 | 60.3° | 179.9° |
| H2P2 | C2P | C3P | H3P1 | 59.7° | 180.0° |
| H2P2 | C2P | C3P | H3P2 | 60.3° | 60.1° |
| H2P2 | C2P | C3P | H3P3 | 179.8° | 60.0° |
| H3P1 | C3P | H3P2 | H3P3 | 120.0° | 119.9° |
| H3' | C3' | O3' | H2 | 48.7° | 61.2° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 0.0° | 0.0° |
| C8 | N9 | C4 | C5 | 0.1° | 0.4° |
| C8 | N9 | C4 | N3 | 179.8° | 179.7° |
| C4 | N9 | C8 | N7 | 0.1° | 0.2° |
| C4 | N9 | C8 | H8 | 179.9° | 179.8° |
| N9 | C4 | C5 | N7 | 0.1° | 0.4° |
| N9 | C4 | C5 | N3 | 180.0° | 179.9° |
| N9 | C4 | C5 | C6 | 179.6° | 179.9° |
| N9 | C4 | N3 | C2 | 179.8° | 180.0° |
| C8 | N7 | C5 | C4 | 0.1° | 0.3° |
| C8 | N7 | C5 | C6 | 179.7° | 180.0° |
| H8 | C8 | N7 | C5 | 180.0° | 179.9° |
| N7 | C5 | C4 | C6 | 179.8° | 179.7° |
| N7 | C5 | C4 | N3 | 179.9° | 179.7° |
| N7 | C5 | C6 | N1 | 180.0° | 179.2° |
| N7 | C5 | C6 | N6 | 0.1° | 0.1° |
| C5 | C4 | N3 | C2 | 0.2° | 0.1° |
| C4 | C5 | C6 | N1 | 0.3° | 0.5° |
| C4 | C5 | C6 | N6 | 179.8° | 179.7° |
| C6 | C5 | C4 | N3 | 0.4° | 0.1° |
| C5 | C6 | N1 | C2 | 0.1° | 0.7° |
| C5 | C6 | N1 | N6 | 179.9° | 179.3° |
| C5 | C6 | N6 | HN61 | 179.9° | 0.0° |
| C5 | C6 | N6 | HN62 | 60.2° | 179.9° |
| C4 | N3 | C2 | N1 | 0.1° | 0.1° |
| C4 | N3 | C2 | H3 | 179.9° | 180.0° |
| N3 | C2 | N1 | H3 | 180.0° | 179.9° |
| N3 | C2 | N1 | C6 | 0.1° | 0.5° |
| C2 | N1 | C6 | N6 | 180.0° | 179.9° |
| H3 | C2 | N1 | C6 | 179.9° | 179.6° |
| N1 | C6 | N6 | HN61 | 0.0° | 179.2° |
| N1 | C6 | N6 | HN62 | 120.0° | 0.7° |
| C6 | N6 | HN61 | HN62 | 120.0° | 179.9° |
