5PA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C4A | sing | 1.51Å | 1.47Å | |
| C4 | C5 | doub | 1.38Å | 1.44Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C4A | N | sing | 1.47Å | 1.30Å | |
| C4A | H4A1 | sing | 1.09Å | 1.12Å | |
| C4A | H4A2 | sing | 1.09Å | 1.11Å | |
| P | O1P | doub | 1.48Å | 1.51Å | |
| P | O2P | sing | 1.61Å | 1.56Å | |
| P | O3P | sing | 1.61Å | 1.46Å | |
| P | O4P | sing | 1.61Å | 1.61Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| O3P | HOP3 | sing | 0.97Å | 0.95Å | |
| O4P | C5A | sing | 1.43Å | 1.42Å | |
| C5A | C5 | sing | 1.51Å | 1.53Å | |
| C5A | H5A1 | sing | 1.09Å | 1.11Å | |
| C5A | H5A2 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | sing | 1.38Å | 1.36Å | Aromatic |
| N1 | C6 | doub | 1.32Å | 1.35Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.36Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C2 | C2A | sing | 1.51Å | 1.50Å | |
| C2 | C3 | doub | 1.39Å | 1.44Å | Aromatic |
| C2A | H2A1 | sing | 1.09Å | 1.11Å | |
| C2A | H2A2 | sing | 1.09Å | 1.11Å | |
| C2A | H2A3 | sing | 1.09Å | 1.12Å | |
| C3 | O3 | sing | 1.36Å | 1.36Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| N | C8 | sing | 1.47Å | 1.51Å | |
| N | HN | sing | 1.01Å | 1.02Å | |
| C8 | C7 | sing | 1.51Å | 1.50Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | C10 | sing | 1.53Å | 1.54Å | |
| C7 | O7 | doub | 1.21Å | 1.31Å | |
| C7 | O8 | sing | 1.34Å | 1.23Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| C9 | C10 | sing | 1.53Å | 1.46Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4A | C4 | C5 | 124.5° | 120.8° |
| C4A | C4 | C3 | 120.3° | 120.8° |
| C4 | C4A | N | 118.9° | 109.5° |
| C4 | C4A | H4A1 | 108.8° | 109.6° |
| C4 | C4A | H4A2 | 108.8° | 109.5° |
| C5 | C4 | C3 | 115.2° | 118.4° |
| C4 | C5 | C5A | 122.8° | 120.4° |
| C4 | C5 | C6 | 123.3° | 119.2° |
| C4 | C3 | C2 | 121.3° | 119.0° |
| C4 | C3 | O3 | 122.2° | 120.5° |
| N | C4A | H4A1 | 108.8° | 109.4° |
| N | C4A | H4A2 | 108.9° | 109.5° |
| C4A | N | C8 | 127.0° | 106.7° |
| C4A | N | HN | 106.0° | 106.7° |
| H4A1 | C4A | H4A2 | 101.2° | 109.4° |
| O1P | P | O2P | 111.2° | 109.4° |
| O1P | P | O3P | 121.6° | 109.5° |
| O1P | P | O4P | 104.4° | 109.4° |
| O2P | P | O3P | 107.7° | 109.5° |
| O2P | P | O4P | 110.3° | 109.5° |
| P | O2P | HOP2 | 111.2° | 106.8° |
| O3P | P | O4P | 100.9° | 109.5° |
| P | O3P | HOP3 | 121.5° | 106.8° |
| P | O4P | C5A | 116.4° | 106.9° |
| O4P | C5A | C5 | 110.4° | 109.5° |
| O4P | C5A | H5A1 | 111.8° | 109.5° |
| O4P | C5A | H5A2 | 111.8° | 109.4° |
| C5 | C5A | H5A1 | 111.8° | 109.4° |
| C5 | C5A | H5A2 | 111.9° | 109.5° |
| C5A | C5 | C6 | 113.9° | 120.4° |
| H5A1 | C5A | H5A2 | 98.6° | 109.6° |
| C5 | C6 | N1 | 119.0° | 120.8° |
| C5 | C6 | H6 | 120.9° | 119.5° |
| C6 | N1 | C2 | 122.6° | 121.8° |
| N1 | C6 | H6 | 120.1° | 119.6° |
| N1 | C2 | C2A | 117.4° | 119.7° |
| N1 | C2 | C3 | 118.6° | 120.7° |
| C2A | C2 | C3 | 123.9° | 119.6° |
| C2 | C2A | H2A1 | 117.4° | 109.5° |
| C2 | C2A | H2A2 | 109.3° | 109.5° |
| C2 | C2A | H2A3 | 109.4° | 109.4° |
| C2 | C3 | O3 | 116.5° | 120.5° |
| H2A1 | C2A | H2A2 | 109.3° | 109.5° |
| H2A1 | C2A | H2A3 | 109.3° | 109.5° |
| H2A2 | C2A | H2A3 | 100.8° | 109.5° |
| C3 | O3 | HO3 | 122.2° | 106.9° |
| C8 | N | HN | 106.1° | 106.7° |
| N | C8 | C7 | 121.6° | 115.5° |
| N | C8 | C9 | 108.4° | 117.5° |
| N | C8 | C10 | 120.1° | 117.5° |
| C7 | C8 | C9 | 120.9° | 117.5° |
| C7 | C8 | C10 | 112.6° | 117.5° |
| C8 | C7 | O7 | 119.4° | 120.1° |
| C8 | C7 | O8 | 119.6° | 120.0° |
| C9 | C8 | C10 | 56.6° | 60.0° |
| C8 | C9 | C10 | 61.9° | 60.0° |
| C8 | C9 | H91 | 133.9° | 117.5° |
| C8 | C9 | H92 | 133.9° | 117.5° |
| C8 | C10 | C9 | 61.5° | 60.0° |
| C8 | C10 | H101 | 134.1° | 117.5° |
| C8 | C10 | H102 | 134.2° | 117.4° |
| O7 | C7 | O8 | 121.0° | 120.0° |
| C7 | O8 | HO8 | 119.6° | 120.0° |
| C10 | C9 | H91 | 134.0° | 117.5° |
| C10 | C9 | H92 | 134.0° | 117.5° |
| C9 | C10 | H101 | 134.1° | 117.5° |
| C9 | C10 | H102 | 134.1° | 117.5° |
| H91 | C9 | H92 | 72.0° | 115.6° |
| H101 | C10 | H102 | 71.8° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4A | C4 | C5 | C3 | 178.9° | 179.7° |
| C4 | C4A | N | H4A1 | 125.2° | 120.1° |
| C4 | C4A | N | H4A2 | 125.3° | 120.0° |
| C4 | C4A | H4A1 | H4A2 | 114.5° | 120.0° |
| C4A | C4 | C5 | C5A | 2.6° | 0.0° |
| C4A | C4 | C5 | C6 | 179.8° | 179.9° |
| C4A | C4 | C3 | C2 | 179.1° | 179.7° |
| C4A | C4 | C3 | O3 | 0.4° | 0.2° |
| C4 | C4A | N | C8 | 165.5° | 171.3° |
| C4 | C4A | N | HN | 40.3° | 75.0° |
| C5 | C4 | C4A | N | 102.9° | 90.0° |
| C5 | C4 | C4A | H4A1 | 131.8° | 150.0° |
| C5 | C4 | C4A | H4A2 | 22.4° | 30.0° |
| C4 | C5 | C5A | O4P | 88.6° | 180.0° |
| C4 | C5 | C5A | C6 | 177.5° | 179.9° |
| C4 | C5 | C5A | H5A1 | 36.6° | 60.1° |
| C4 | C5 | C5A | H5A2 | 146.2° | 60.0° |
| C4 | C5 | C6 | N1 | 0.6° | 0.1° |
| C4 | C5 | C6 | H6 | 179.5° | 180.0° |
| C5 | C4 | C3 | C2 | 1.9° | 0.5° |
| C5 | C4 | C3 | O3 | 178.6° | 179.9° |
| C3 | C4 | C4A | N | 78.2° | 89.7° |
| C3 | C4 | C4A | H4A1 | 47.1° | 30.3° |
| C3 | C4 | C4A | H4A2 | 156.5° | 150.2° |
| C3 | C4 | C5 | C5A | 178.5° | 179.8° |
| C3 | C4 | C5 | C6 | 1.3° | 0.3° |
| C4 | C3 | C2 | N1 | 1.9° | 0.5° |
| C4 | C3 | C2 | C2A | 177.8° | 179.7° |
| C4 | C3 | C2 | O3 | 179.6° | 179.5° |
| C4 | C3 | O3 | HO3 | 179.9° | 89.9° |
| N | C4A | H4A1 | H4A2 | 114.6° | 119.9° |
| C4A | N | C8 | HN | 125.2° | 113.7° |
| C4A | N | C8 | C7 | 98.4° | 91.2° |
| C4A | N | C8 | C9 | 48.8° | 54.5° |
| C4A | N | C8 | C10 | 110.3° | 123.1° |
| H4A1 | C4A | N | C8 | 40.3° | 51.2° |
| H4A1 | C4A | N | HN | 84.9° | 165.0° |
| H4A2 | C4A | N | C8 | 69.2° | 68.7° |
| H4A2 | C4A | N | HN | 165.6° | 45.1° |
| O1P | P | O2P | O3P | 135.5° | 120.0° |
| O1P | P | O2P | O4P | 115.3° | 119.9° |
| O1P | P | O3P | O4P | 114.5° | 119.9° |
| O1P | P | O2P | HOP2 | 180.0° | 60.0° |
| O1P | P | O3P | HOP3 | 180.0° | 180.0° |
| O1P | P | O4P | C5A | 49.4° | 60.0° |
| O2P | P | O3P | O4P | 115.6° | 120.1° |
| O2P | P | O3P | HOP3 | 50.1° | 60.0° |
| O2P | P | O4P | C5A | 168.9° | 180.0° |
| O3P | P | O2P | HOP2 | 44.5° | 60.0° |
| O3P | P | O4P | C5A | 77.4° | 59.9° |
| O4P | P | O2P | HOP2 | 64.7° | 180.0° |
| O4P | P | O3P | HOP3 | 65.5° | 60.0° |
| P | O4P | C5A | C5 | 156.7° | 180.0° |
| P | O4P | C5A | H5A1 | 31.5° | 60.0° |
| P | O4P | C5A | H5A2 | 78.0° | 60.1° |
| O4P | C5A | C5 | H5A1 | 125.2° | 120.0° |
| O4P | C5A | C5 | H5A2 | 125.2° | 119.9° |
| O4P | C5A | H5A1 | H5A2 | 117.7° | 120.0° |
| O4P | C5A | C5 | C6 | 94.0° | 0.0° |
| C5 | C5A | H5A1 | H5A2 | 117.8° | 120.0° |
| C5A | C5 | C6 | N1 | 178.0° | 180.0° |
| C5A | C5 | C6 | H6 | 2.0° | 0.1° |
| H5A1 | C5A | C5 | C6 | 140.8° | 120.0° |
| H5A2 | C5A | C5 | C6 | 31.3° | 119.9° |
| C5 | C6 | N1 | H6 | 179.9° | 179.9° |
| C5 | C6 | N1 | C2 | 0.5° | 0.1° |
| C6 | N1 | C2 | C2A | 178.6° | 180.0° |
| C6 | N1 | C2 | C3 | 1.1° | 0.3° |
| C2 | N1 | C6 | H6 | 179.6° | 180.0° |
| N1 | C2 | C2A | C3 | 179.7° | 179.7° |
| N1 | C2 | C2A | H2A1 | 180.0° | 90.0° |
| N1 | C2 | C2A | H2A2 | 54.7° | 150.0° |
| N1 | C2 | C2A | H2A3 | 54.8° | 30.0° |
| N1 | C2 | C3 | O3 | 178.5° | 179.9° |
| C2 | C2A | H2A1 | H2A2 | 125.3° | 120.0° |
| C2 | C2A | H2A1 | H2A3 | 125.2° | 120.0° |
| C2 | C2A | H2A2 | H2A3 | 115.1° | 119.9° |
| C2A | C2 | C3 | O3 | 1.7° | 0.2° |
| C3 | C2 | C2A | H2A1 | 0.3° | 90.3° |
| C3 | C2 | C2A | H2A2 | 125.0° | 29.8° |
| C3 | C2 | C2A | H2A3 | 125.5° | 149.7° |
| C2 | C3 | O3 | HO3 | 0.5° | 90.5° |
| H2A1 | C2A | H2A2 | H2A3 | 115.0° | 120.0° |
| N | C8 | C7 | C9 | 143.1° | 145.7° |
| N | C8 | C7 | C10 | 153.3° | 145.7° |
| N | C8 | C9 | C10 | 114.4° | 107.5° |
| N | C8 | C7 | O7 | 91.7° | 146.8° |
| N | C8 | C7 | O8 | 90.0° | 33.3° |
| N | C8 | C9 | H91 | 120.3° | 145.0° |
| N | C8 | C9 | H92 | 10.9° | 0.0° |
| N | C8 | C10 | H101 | 31.9° | 0.0° |
| N | C8 | C10 | H102 | 141.5° | 145.0° |
| HN | N | C8 | C7 | 26.8° | 155.1° |
| HN | N | C8 | C9 | 174.0° | 59.3° |
| HN | N | C8 | C10 | 124.5° | 9.3° |
| C7 | C8 | C9 | C10 | 98.2° | 107.5° |
| C8 | C7 | O7 | O8 | 178.3° | 179.9° |
| C8 | C7 | O8 | HO8 | 180.0° | 180.0° |
| C7 | C8 | C9 | H91 | 27.1° | 0.0° |
| C7 | C8 | C9 | H92 | 136.5° | 145.0° |
| C7 | C8 | C10 | H101 | 121.8° | 145.1° |
| C7 | C8 | C10 | H102 | 12.2° | 0.0° |
| C9 | C8 | C7 | O7 | 51.4° | 1.1° |
| C9 | C8 | C7 | O8 | 126.9° | 178.9° |
| C8 | C9 | C10 | H91 | 125.2° | 107.5° |
| C8 | C9 | C10 | H92 | 125.3° | 107.5° |
| C8 | C9 | H91 | H92 | 134.4° | 145.7° |
| C9 | C8 | C10 | H101 | 125.2° | 107.5° |
| C9 | C8 | C10 | H102 | 125.2° | 107.5° |
| C10 | C8 | C7 | O7 | 115.0° | 67.5° |
| C10 | C8 | C7 | O8 | 63.3° | 112.4° |
| C8 | C10 | H101 | H102 | 134.6° | 145.7° |
| O7 | C7 | O8 | HO8 | 1.8° | 0.1° |
| C10 | C9 | H91 | H92 | 134.5° | 145.7° |
| C9 | C10 | H101 | H102 | 134.5° | 145.7° |
| H91 | C9 | C10 | H101 | 109.5° | 145.0° |
| H91 | C9 | C10 | H102 | 0.0° | 0.0° |
| H92 | C9 | C10 | H101 | 0.0° | 0.0° |
| H92 | C9 | C10 | H102 | 109.5° | 145.1° |
