PLG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.32Å | 1.35Å | Aromatic |
| N1 | C6 | sing | 1.32Å | 1.37Å | Aromatic |
| C2 | C2A | sing | 1.51Å | 1.49Å | |
| C2 | C3 | sing | 1.39Å | 1.43Å | 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 | 1.32Å | |
| C3 | C4 | doub | 1.39Å | 1.44Å | Aromatic |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | C4A | sing | 1.51Å | 1.46Å | |
| C4 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C4A | N | sing | 1.47Å | 1.36Å | |
| C4A | H4A1 | sing | 1.09Å | 1.12Å | |
| C4A | H4A2 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | doub | 1.38Å | 1.42Å | Aromatic |
| C5 | C5A | sing | 1.51Å | 1.49Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C5A | OP4 | sing | 1.43Å | 1.42Å | |
| C5A | H5A1 | sing | 1.09Å | 1.11Å | |
| C5A | H5A2 | sing | 1.09Å | 1.11Å | |
| OP4 | P | sing | 1.61Å | 1.56Å | |
| P | OP1 | doub | 1.48Å | 1.50Å | |
| P | OP2 | sing | 1.61Å | 1.56Å | |
| P | OP3 | sing | 1.61Å | 1.51Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| C | CA | sing | 1.51Å | 1.51Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CA | N | sing | 1.47Å | 1.45Å | |
| CA | HA2 | sing | 1.09Å | 1.11Å | |
| CA | HA1 | sing | 1.09Å | 1.12Å | |
| N | H | sing | 1.01Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 126.1° | 121.8° |
| N1 | C2 | C2A | 116.8° | 119.7° |
| N1 | C2 | C3 | 116.4° | 120.7° |
| N1 | C6 | C5 | 119.9° | 120.9° |
| N1 | C6 | H6 | 118.5° | 119.5° |
| C2A | C2 | C3 | 126.8° | 119.7° |
| C2 | C2A | H2A1 | 116.7° | 109.5° |
| C2 | C2A | H2A2 | 109.6° | 109.4° |
| C2 | C2A | H2A3 | 109.6° | 109.4° |
| C2 | C3 | O3 | 118.4° | 120.5° |
| C2 | C3 | C4 | 119.1° | 119.1° |
| H2A1 | C2A | H2A2 | 109.5° | 109.5° |
| H2A1 | C2A | H2A3 | 109.6° | 109.5° |
| H2A2 | C2A | H2A3 | 100.6° | 109.5° |
| O3 | C3 | C4 | 122.5° | 120.5° |
| C3 | O3 | HO3 | 118.4° | 106.9° |
| C3 | C4 | C4A | 117.9° | 120.8° |
| C3 | C4 | C5 | 121.8° | 118.4° |
| C4A | C4 | C5 | 120.3° | 120.8° |
| C4 | C4A | N | 121.8° | 109.4° |
| C4 | C4A | H4A1 | 107.8° | 109.6° |
| C4 | C4A | H4A2 | 107.8° | 109.5° |
| C4 | C5 | C6 | 116.6° | 119.2° |
| C4 | C5 | C5A | 130.0° | 120.4° |
| N | C4A | H4A1 | 107.8° | 109.4° |
| N | C4A | H4A2 | 107.7° | 109.4° |
| C4A | N | CA | 124.6° | 106.7° |
| C4A | N | H | 106.9° | 106.7° |
| H4A1 | C4A | H4A2 | 102.1° | 109.5° |
| C6 | C5 | C5A | 113.4° | 120.4° |
| C5 | C6 | H6 | 121.6° | 119.5° |
| C5 | C5A | OP4 | 118.4° | 109.5° |
| C5 | C5A | H5A1 | 109.0° | 109.4° |
| C5 | C5A | H5A2 | 109.0° | 109.4° |
| OP4 | C5A | H5A1 | 109.0° | 109.6° |
| OP4 | C5A | H5A2 | 109.0° | 109.4° |
| C5A | OP4 | P | 129.1° | 106.8° |
| H5A1 | C5A | H5A2 | 101.1° | 109.5° |
| OP4 | P | OP1 | 103.6° | 109.4° |
| OP4 | P | OP2 | 105.3° | 109.5° |
| OP4 | P | OP3 | 112.7° | 109.4° |
| OP1 | P | OP2 | 114.7° | 109.5° |
| OP1 | P | OP3 | 112.8° | 109.5° |
| OP2 | P | OP3 | 107.5° | 109.5° |
| P | OP2 | HOP2 | 105.4° | 106.8° |
| P | OP3 | HOP3 | 112.7° | 106.8° |
| O | C | OXT | 123.1° | 120.0° |
| O | C | CA | 118.3° | 120.0° |
| OXT | C | CA | 118.6° | 120.0° |
| C | OXT | HXT | 123.1° | 120.0° |
| C | CA | N | 110.8° | 109.5° |
| C | CA | HA2 | 111.7° | 109.5° |
| C | CA | HA1 | 111.7° | 109.4° |
| N | CA | HA2 | 111.8° | 109.5° |
| N | CA | HA1 | 111.8° | 109.5° |
| CA | N | H | 106.8° | 106.7° |
| HA2 | CA | HA1 | 98.7° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | C2A | C3 | 180.0° | 179.7° |
| N1 | C2 | C2A | H2A1 | 180.0° | 90.0° |
| N1 | C2 | C2A | H2A2 | 54.8° | 150.0° |
| N1 | C2 | C2A | H2A3 | 54.8° | 30.0° |
| N1 | C2 | C3 | O3 | 179.9° | 180.0° |
| N1 | C2 | C3 | C4 | 0.6° | 0.6° |
| C2 | N1 | C6 | C5 | 0.3° | 0.1° |
| C2 | N1 | C6 | H6 | 179.7° | 180.0° |
| C6 | N1 | C2 | C2A | 179.4° | 180.0° |
| C6 | N1 | C2 | C3 | 0.6° | 0.3° |
| N1 | C6 | C5 | C4 | 1.2° | 0.1° |
| N1 | C6 | C5 | H6 | 180.0° | 179.9° |
| N1 | C6 | C5 | C5A | 177.7° | 180.0° |
| C2 | C2A | H2A1 | H2A2 | 125.3° | 120.0° |
| C2 | C2A | H2A1 | H2A3 | 125.3° | 120.0° |
| C2 | C2A | H2A2 | H2A3 | 115.4° | 119.9° |
| C2A | C2 | C3 | O3 | 0.1° | 0.3° |
| C2A | C2 | C3 | C4 | 179.4° | 179.8° |
| C3 | C2 | C2A | H2A1 | 0.0° | 90.3° |
| C3 | C2 | C2A | H2A2 | 125.2° | 29.7° |
| C3 | C2 | C2A | H2A3 | 125.2° | 149.7° |
| C2 | C3 | O3 | C4 | 179.3° | 179.5° |
| C2 | C3 | O3 | HO3 | 180.0° | 90.6° |
| C2 | C3 | C4 | C4A | 180.0° | 179.6° |
| C2 | C3 | C4 | C5 | 0.3° | 0.6° |
| H2A1 | C2A | H2A2 | H2A3 | 115.3° | 120.1° |
| O3 | C3 | C4 | C4A | 0.7° | 0.2° |
| O3 | C3 | C4 | C5 | 179.0° | 180.0° |
| C4 | C3 | O3 | HO3 | 0.7° | 90.0° |
| C3 | C4 | C4A | C5 | 179.7° | 179.8° |
| C3 | C4 | C4A | N | 23.2° | 89.8° |
| C3 | C4 | C4A | H4A1 | 102.0° | 30.2° |
| C3 | C4 | C4A | H4A2 | 148.5° | 150.3° |
| C3 | C4 | C5 | C6 | 1.2° | 0.3° |
| C3 | C4 | C5 | C5A | 177.5° | 179.8° |
| C4 | C4A | N | H4A1 | 125.2° | 120.0° |
| C4 | C4A | N | H4A2 | 125.3° | 120.0° |
| C4 | C4A | H4A1 | H4A2 | 113.4° | 120.1° |
| C4A | C4 | C5 | C6 | 179.1° | 179.9° |
| C4A | C4 | C5 | C5A | 2.1° | 0.0° |
| C4 | C4A | N | CA | 173.4° | 180.0° |
| C4 | C4A | N | H | 48.2° | 66.2° |
| C5 | C4 | C4A | N | 156.4° | 90.0° |
| C5 | C4 | C4A | H4A1 | 78.3° | 150.0° |
| C5 | C4 | C4A | H4A2 | 31.2° | 30.0° |
| C4 | C5 | C6 | C5A | 178.9° | 179.9° |
| C4 | C5 | C6 | H6 | 178.8° | 180.0° |
| C4 | C5 | C5A | OP4 | 61.4° | 180.0° |
| C4 | C5 | C5A | H5A1 | 173.4° | 60.0° |
| C4 | C5 | C5A | H5A2 | 63.9° | 60.0° |
| N | C4A | H4A1 | H4A2 | 113.3° | 119.9° |
| C4A | N | CA | C | 166.6° | 180.0° |
| C4A | N | CA | H | 125.3° | 113.8° |
| C4A | N | CA | HA2 | 68.2° | 60.0° |
| C4A | N | CA | HA1 | 41.4° | 60.0° |
| H4A1 | C4A | N | CA | 48.2° | 60.0° |
| H4A1 | C4A | N | H | 77.1° | 173.7° |
| H4A2 | C4A | N | CA | 61.3° | 60.0° |
| H4A2 | C4A | N | H | 173.4° | 53.8° |
| C6 | C5 | C5A | OP4 | 119.9° | 0.0° |
| C6 | C5 | C5A | H5A1 | 5.4° | 120.1° |
| C6 | C5 | C5A | H5A2 | 114.9° | 119.9° |
| C5A | C5 | C6 | H6 | 2.3° | 0.1° |
| C5 | C5A | OP4 | H5A1 | 125.3° | 120.0° |
| C5 | C5A | OP4 | H5A2 | 125.2° | 119.9° |
| C5 | C5A | H5A1 | H5A2 | 114.7° | 119.9° |
| C5 | C5A | OP4 | P | 153.4° | 180.0° |
| OP4 | C5A | H5A1 | H5A2 | 114.7° | 120.0° |
| C5A | OP4 | P | OP1 | 38.6° | 60.0° |
| C5A | OP4 | P | OP2 | 82.2° | 180.0° |
| C5A | OP4 | P | OP3 | 160.8° | 59.9° |
| H5A1 | C5A | OP4 | P | 81.3° | 60.0° |
| H5A2 | C5A | OP4 | P | 28.2° | 60.1° |
| OP4 | P | OP1 | OP2 | 114.3° | 120.0° |
| OP4 | P | OP1 | OP3 | 122.2° | 119.9° |
| OP4 | P | OP2 | OP3 | 120.4° | 120.0° |
| OP4 | P | OP2 | HOP2 | 180.0° | 180.0° |
| OP4 | P | OP3 | HOP3 | 179.9° | 60.1° |
| OP1 | P | OP2 | OP3 | 126.3° | 120.0° |
| OP1 | P | OP2 | HOP2 | 66.8° | 60.0° |
| OP1 | P | OP3 | HOP3 | 63.2° | 180.0° |
| OP2 | P | OP3 | HOP3 | 64.3° | 60.0° |
| OP3 | P | OP2 | HOP2 | 59.5° | 60.0° |
| O | C | OXT | CA | 179.4° | 179.9° |
| O | C | OXT | HXT | 180.0° | 0.0° |
| O | C | CA | N | 10.6° | 0.0° |
| O | C | CA | HA2 | 135.9° | 120.0° |
| O | C | CA | HA1 | 114.7° | 120.1° |
| OXT | C | CA | N | 169.9° | 180.0° |
| OXT | C | CA | HA2 | 44.6° | 59.9° |
| OXT | C | CA | HA1 | 64.8° | 60.0° |
| CA | C | OXT | HXT | 0.5° | 180.0° |
| C | CA | N | HA2 | 125.3° | 120.1° |
| C | CA | N | HA1 | 125.2° | 120.0° |
| C | CA | HA2 | HA1 | 117.6° | 119.9° |
| C | CA | N | H | 41.3° | 66.2° |
| N | CA | HA2 | HA1 | 117.7° | 120.0° |
| HA2 | CA | N | H | 166.5° | 173.7° |
| HA1 | CA | N | H | 84.0° | 53.8° |
