PMH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.32Å | 1.36Å | Aromatic |
| N1 | C6 | sing | 1.32Å | 1.37Å | Aromatic |
| C2 | C2A | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.39Å | 1.44Å | Aromatic |
| C2A | H2A1 | sing | 1.09Å | 1.12Å | |
| C2A | H2A2 | sing | 1.09Å | 1.11Å | |
| C2A | H2A3 | sing | 1.09Å | 1.11Å | |
| C3 | O3 | sing | 1.36Å | 1.35Å | |
| C3 | C4 | doub | 1.39Å | 1.42Å | Aromatic |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | C4A | sing | 1.51Å | 1.50Å | |
| C4 | C5 | sing | 1.38Å | 1.47Å | Aromatic |
| C4A | N | sing | 1.46Å | 1.48Å | |
| C4A | H4A1 | sing | 1.09Å | 1.11Å | |
| C4A | H4A2 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | doub | 1.38Å | 1.42Å | Aromatic |
| C5 | C5A | sing | 1.51Å | 1.51Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C5A | O4P | sing | 1.43Å | 1.43Å | |
| C5A | H5A1 | sing | 1.09Å | 1.12Å | |
| C5A | H5A2 | sing | 1.09Å | 1.11Å | |
| O4P | P | sing | 1.61Å | 1.59Å | |
| P | O1P | doub | 1.48Å | 1.78Å | |
| P | O2P | sing | 1.61Å | 1.76Å | |
| P | O3P | sing | 1.61Å | 1.76Å | |
| O2P | H2P | sing | 0.97Å | 0.95Å | |
| O3P | H3P | sing | 0.97Å | 0.95Å | |
| N | CA | sing | 1.41Å | 1.39Å | |
| N | HN | sing | 0.97Å | 1.02Å | |
| CA | C | sing | 1.42Å | 1.40Å | Aromatic |
| CA | CB | doub | 1.36Å | 1.37Å | Aromatic |
| C | O | sing | 1.36Å | 1.33Å | |
| C | ND | doub | 1.31Å | 1.30Å | Aromatic |
| O | HO | sing | 0.97Å | 0.95Å | |
| ND | OG | sing | 1.21Å | 1.38Å | Aromatic |
| OG | CB | sing | 1.34Å | 1.35Å | Aromatic |
| CB | HB | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 123.4° | 121.8° |
| N1 | C2 | C2A | 119.7° | 119.7° |
| N1 | C2 | C3 | 119.4° | 120.7° |
| N1 | C6 | C5 | 120.3° | 120.8° |
| N1 | C6 | H6 | 118.0° | 119.6° |
| C2A | C2 | C3 | 120.9° | 119.7° |
| C2 | C2A | H2A1 | 108.5° | 109.5° |
| C2 | C2A | H2A2 | 119.7° | 109.5° |
| C2 | C2A | H2A3 | 108.5° | 109.4° |
| C2 | C3 | O3 | 119.5° | 120.5° |
| C2 | C3 | C4 | 120.0° | 119.1° |
| H2A1 | C2A | H2A2 | 108.6° | 109.4° |
| H2A1 | C2A | H2A3 | 101.5° | 109.4° |
| H2A2 | C2A | H2A3 | 108.5° | 109.5° |
| O3 | C3 | C4 | 120.5° | 120.4° |
| C3 | O3 | HO3 | 119.5° | 106.8° |
| C3 | C4 | C4A | 124.4° | 120.8° |
| C3 | C4 | C5 | 118.5° | 118.3° |
| C4A | C4 | C5 | 117.1° | 120.8° |
| C4 | C4A | N | 110.2° | 109.5° |
| C4 | C4A | H4A1 | 111.9° | 109.5° |
| C4 | C4A | H4A2 | 112.0° | 109.5° |
| C4 | C5 | C6 | 118.4° | 119.3° |
| C4 | C5 | C5A | 123.0° | 120.4° |
| N | C4A | H4A1 | 112.0° | 109.4° |
| N | C4A | H4A2 | 111.9° | 109.5° |
| C4A | N | CA | 118.8° | 120.0° |
| C4A | N | HN | 108.9° | 120.0° |
| H4A1 | C4A | H4A2 | 98.5° | 109.5° |
| C6 | C5 | C5A | 118.6° | 120.3° |
| C5 | C6 | H6 | 121.7° | 119.6° |
| C5 | C5A | O4P | 106.9° | 109.5° |
| C5 | C5A | H5A1 | 113.2° | 109.5° |
| C5 | C5A | H5A2 | 113.2° | 109.5° |
| O4P | C5A | H5A1 | 113.2° | 109.5° |
| O4P | C5A | H5A2 | 113.2° | 109.5° |
| C5A | O4P | P | 114.4° | 106.8° |
| H5A1 | C5A | H5A2 | 97.3° | 109.3° |
| O4P | P | O1P | 109.7° | 109.5° |
| O4P | P | O2P | 108.7° | 109.5° |
| O4P | P | O3P | 110.6° | 109.5° |
| O1P | P | O2P | 110.3° | 109.4° |
| O1P | P | O3P | 108.8° | 109.4° |
| O2P | P | O3P | 108.8° | 109.5° |
| P | O2P | H2P | 108.7° | 106.8° |
| P | O3P | H3P | 110.6° | 106.8° |
| CA | N | HN | 108.8° | 119.9° |
| N | CA | C | 127.2° | 128.1° |
| N | CA | CB | 125.7° | 128.1° |
| C | CA | CB | 106.6° | 103.9° |
| CA | C | O | 124.5° | 126.9° |
| CA | C | ND | 109.1° | 106.3° |
| CA | CB | OG | 107.1° | 106.5° |
| CA | CB | HB | 126.9° | 126.8° |
| O | C | ND | 126.1° | 126.9° |
| C | O | HO | 124.6° | 106.8° |
| C | ND | OG | 108.0° | 111.6° |
| ND | OG | CB | 109.0° | 111.7° |
| OG | CB | HB | 126.0° | 126.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | C2A | C3 | 179.9° | 179.7° |
| N1 | C2 | C2A | H2A1 | 54.8° | 30.0° |
| N1 | C2 | C2A | H2A2 | 180.0° | 90.0° |
| N1 | C2 | C2A | H2A3 | 54.7° | 149.9° |
| N1 | C2 | C3 | O3 | 179.9° | 180.0° |
| N1 | C2 | C3 | C4 | 0.1° | 0.6° |
| C2 | N1 | C6 | C5 | 0.1° | 0.0° |
| C2 | N1 | C6 | H6 | 179.9° | 180.0° |
| C6 | N1 | C2 | C2A | 179.8° | 180.0° |
| C6 | N1 | C2 | C3 | 0.1° | 0.3° |
| N1 | C6 | C5 | C4 | 0.0° | 0.0° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| N1 | C6 | C5 | C5A | 179.1° | 180.0° |
| C2 | C2A | H2A1 | H2A2 | 131.6° | 120.1° |
| C2 | C2A | H2A1 | H2A3 | 114.2° | 119.9° |
| C2 | C2A | H2A2 | H2A3 | 125.3° | 120.0° |
| C2A | C2 | C3 | O3 | 0.0° | 0.3° |
| C2A | C2 | C3 | C4 | 179.8° | 179.7° |
| C3 | C2 | C2A | H2A1 | 125.2° | 149.7° |
| C3 | C2 | C2A | H2A2 | 0.1° | 90.3° |
| C3 | C2 | C2A | H2A3 | 125.3° | 29.7° |
| C2 | C3 | O3 | C4 | 179.8° | 179.4° |
| C2 | C3 | O3 | HO3 | 180.0° | 90.6° |
| C2 | C3 | C4 | C4A | 179.9° | 179.7° |
| C2 | C3 | C4 | C5 | 0.0° | 0.6° |
| H2A1 | C2A | H2A2 | H2A3 | 109.5° | 119.9° |
| O3 | C3 | C4 | C4A | 0.2° | 0.3° |
| O3 | C3 | C4 | C5 | 179.8° | 180.0° |
| C4 | C3 | O3 | HO3 | 0.2° | 90.0° |
| C3 | C4 | C4A | C5 | 180.0° | 179.7° |
| C3 | C4 | C4A | N | 81.9° | 89.7° |
| C3 | C4 | C4A | H4A1 | 43.4° | 30.2° |
| C3 | C4 | C4A | H4A2 | 152.9° | 150.2° |
| C3 | C4 | C5 | C6 | 0.0° | 0.3° |
| C3 | C4 | C5 | C5A | 179.0° | 179.7° |
| C4 | C4A | N | H4A1 | 125.3° | 120.0° |
| C4 | C4A | N | H4A2 | 125.2° | 120.0° |
| C4 | C4A | H4A1 | H4A2 | 117.9° | 120.0° |
| C4A | C4 | C5 | C6 | 180.0° | 179.9° |
| C4A | C4 | C5 | C5A | 0.9° | 0.0° |
| C4 | C4A | N | CA | 151.6° | 180.0° |
| C4 | C4A | N | HN | 83.2° | 0.0° |
| C5 | C4 | C4A | N | 98.1° | 90.0° |
| C5 | C4 | C4A | H4A1 | 136.7° | 150.0° |
| C5 | C4 | C4A | H4A2 | 27.2° | 30.0° |
| C4 | C5 | C6 | C5A | 179.1° | 180.0° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C4 | C5 | C5A | O4P | 67.8° | 180.0° |
| C4 | C5 | C5A | H5A1 | 57.4° | 59.9° |
| C4 | C5 | C5A | H5A2 | 166.9° | 59.9° |
| N | C4A | H4A1 | H4A2 | 117.8° | 120.0° |
| C4A | N | CA | HN | 125.3° | 179.9° |
| C4A | N | CA | C | 73.1° | 179.7° |
| C4A | N | CA | CB | 116.4° | 0.0° |
| H4A1 | C4A | N | CA | 26.3° | 60.0° |
| H4A1 | C4A | N | HN | 151.6° | 120.0° |
| H4A2 | C4A | N | CA | 83.2° | 60.0° |
| H4A2 | C4A | N | HN | 42.1° | 120.0° |
| C6 | C5 | C5A | O4P | 111.2° | 0.0° |
| C6 | C5 | C5A | H5A1 | 123.5° | 120.1° |
| C6 | C5 | C5A | H5A2 | 14.0° | 120.0° |
| C5A | C5 | C6 | H6 | 0.9° | 0.0° |
| C5 | C5A | O4P | H5A1 | 125.3° | 120.1° |
| C5 | C5A | O4P | H5A2 | 125.3° | 120.1° |
| C5 | C5A | H5A1 | H5A2 | 119.1° | 119.9° |
| C5 | C5A | O4P | P | 178.0° | 180.0° |
| O4P | C5A | H5A1 | H5A2 | 119.1° | 119.9° |
| C5A | O4P | P | O1P | 65.0° | 60.0° |
| C5A | O4P | P | O2P | 174.3° | 180.0° |
| C5A | O4P | P | O3P | 55.0° | 59.9° |
| H5A1 | C5A | O4P | P | 52.8° | 59.9° |
| H5A2 | C5A | O4P | P | 56.7° | 60.0° |
| O4P | P | O1P | O2P | 119.7° | 120.0° |
| O4P | P | O1P | O3P | 121.1° | 120.0° |
| O4P | P | O2P | O3P | 120.5° | 120.1° |
| O4P | P | O2P | H2P | 180.0° | 180.0° |
| O4P | P | O3P | H3P | 180.0° | 60.0° |
| O1P | P | O2P | O3P | 119.3° | 119.9° |
| O1P | P | O2P | H2P | 59.7° | 60.1° |
| O1P | P | O3P | H3P | 59.5° | 180.0° |
| O2P | P | O3P | H3P | 60.7° | 60.0° |
| O3P | P | O2P | H2P | 59.5° | 59.9° |
| N | CA | C | CB | 172.0° | 179.7° |
| N | CA | C | O | 5.9° | 0.3° |
| N | CA | C | ND | 168.4° | 179.8° |
| N | CA | CB | OG | 170.8° | 180.0° |
| N | CA | CB | HB | 9.2° | 0.0° |
| HN | N | CA | C | 161.6° | 0.3° |
| HN | N | CA | CB | 8.9° | 179.9° |
| CA | C | O | ND | 173.4° | 179.4° |
| CA | C | O | HO | 180.0° | 90.6° |
| CA | C | ND | OG | 4.3° | 0.5° |
| C | CA | CB | OG | 1.3° | 0.3° |
| C | CA | CB | HB | 178.7° | 179.7° |
| CB | CA | C | O | 177.9° | 179.9° |
| CB | CA | C | ND | 3.5° | 0.4° |
| CA | CB | OG | ND | 1.2° | 0.0° |
| CA | CB | OG | HB | 180.0° | 180.0° |
| O | C | ND | OG | 178.5° | 180.0° |
| ND | C | O | HO | 6.6° | 90.0° |
| C | ND | OG | CB | 3.5° | 0.3° |
| ND | OG | CB | HB | 178.8° | 180.0° |
