PLV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.49Å | |
| N | C4A | sing | 1.47Å | 1.32Å | |
| N | HN | sing | 1.01Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.49Å | |
| CA | C | sing | 1.51Å | 1.60Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| CB | OG | sing | 1.43Å | 1.42Å | |
| CB | HB1 | sing | 1.09Å | 1.11Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| OG | C7 | sing | 1.43Å | 1.42Å | |
| C | O | sing | 1.34Å | 1.22Å | |
| C | OXT | doub | 1.21Å | 1.24Å | |
| O | HO | sing | 0.97Å | 0.95Å | |
| N1 | C2 | doub | 1.32Å | 1.41Å | Aromatic |
| N1 | C6 | sing | 1.32Å | 1.40Å | Aromatic |
| C2 | C2A | sing | 1.51Å | 1.49Å | |
| C2 | C3 | sing | 1.39Å | 1.49Å | Aromatic |
| C2A | H2A1 | sing | 1.09Å | 1.11Å | |
| C2A | H2A2 | sing | 1.09Å | 1.12Å | |
| C2A | H2A3 | sing | 1.09Å | 1.11Å | |
| C3 | O3 | sing | 1.36Å | 1.35Å | |
| C3 | C4 | doub | 1.39Å | 1.53Å | Aromatic |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | C4A | sing | 1.51Å | 1.52Å | |
| C4 | C5 | sing | 1.39Å | 1.46Å | Aromatic |
| C4A | H4A1 | sing | 1.09Å | 1.11Å | |
| C4A | H4A2 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | doub | 1.38Å | 1.46Å | Aromatic |
| C5 | C5A | sing | 1.51Å | 1.53Å | |
| 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 | 1.12Å | |
| O4P | P | sing | 1.61Å | 1.40Å | |
| P | O1P | sing | 1.61Å | 1.52Å | |
| P | O2P | sing | 1.61Å | 1.43Å | |
| P | O3P | doub | 1.48Å | 1.39Å | |
| O1P | H1P | sing | 0.97Å | 0.95Å | |
| O2P | H2P | sing | 0.97Å | 0.95Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C7 | H73 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | C4A | 134.2° | 106.7° |
| CA | N | HN | 103.7° | 106.7° |
| N | CA | CB | 115.4° | 109.5° |
| N | CA | C | 109.4° | 109.5° |
| N | CA | HA | 105.4° | 109.5° |
| C4A | N | HN | 103.7° | 106.7° |
| N | C4A | C4 | 129.9° | 109.5° |
| N | C4A | H4A1 | 105.1° | 109.5° |
| N | C4A | H4A2 | 105.1° | 109.4° |
| CB | CA | C | 109.6° | 109.5° |
| CB | CA | HA | 105.2° | 109.5° |
| CA | CB | OG | 119.0° | 109.5° |
| CA | CB | HB1 | 108.8° | 109.5° |
| CA | CB | HB2 | 108.8° | 109.5° |
| C | CA | HA | 111.7° | 109.4° |
| CA | C | O | 120.4° | 120.0° |
| CA | C | OXT | 122.4° | 120.0° |
| OG | CB | HB1 | 108.8° | 109.4° |
| OG | CB | HB2 | 108.8° | 109.4° |
| CB | OG | C7 | 118.2° | 106.8° |
| HB1 | CB | HB2 | 101.2° | 109.5° |
| OG | C7 | H71 | 109.1° | 109.5° |
| OG | C7 | H72 | 118.2° | 109.5° |
| OG | C7 | H73 | 109.1° | 109.5° |
| O | C | OXT | 117.2° | 120.0° |
| C | O | HO | 120.4° | 120.0° |
| C2 | N1 | C6 | 126.4° | 121.8° |
| N1 | C2 | C2A | 120.1° | 119.7° |
| N1 | C2 | C3 | 117.5° | 120.7° |
| N1 | C6 | C5 | 119.4° | 120.9° |
| N1 | C6 | H6 | 118.4° | 119.5° |
| C2A | C2 | C3 | 122.4° | 119.7° |
| C2 | C2A | H2A1 | 108.4° | 109.5° |
| C2 | C2A | H2A2 | 120.1° | 109.4° |
| C2 | C2A | H2A3 | 108.4° | 109.5° |
| C2 | C3 | O3 | 126.4° | 120.5° |
| C2 | C3 | C4 | 117.3° | 119.1° |
| H2A1 | C2A | H2A2 | 108.4° | 109.5° |
| H2A1 | C2A | H2A3 | 101.6° | 109.5° |
| H2A2 | C2A | H2A3 | 108.4° | 109.4° |
| O3 | C3 | C4 | 116.3° | 120.5° |
| C3 | O3 | HO3 | 126.5° | 106.8° |
| C3 | C4 | C4A | 120.9° | 120.8° |
| C3 | C4 | C5 | 120.5° | 118.4° |
| C4A | C4 | C5 | 118.5° | 120.8° |
| C4 | C4A | H4A1 | 105.1° | 109.5° |
| C4 | C4A | H4A2 | 105.1° | 109.5° |
| C4 | C5 | C6 | 118.8° | 119.2° |
| C4 | C5 | C5A | 121.9° | 120.4° |
| H4A1 | C4A | H4A2 | 104.1° | 109.4° |
| C6 | C5 | C5A | 119.3° | 120.4° |
| C5 | C6 | H6 | 122.1° | 119.6° |
| C5 | C5A | O4P | 114.4° | 109.5° |
| C5 | C5A | H5A1 | 110.4° | 109.5° |
| C5 | C5A | H5A2 | 110.4° | 109.5° |
| O4P | C5A | H5A1 | 110.4° | 109.5° |
| O4P | C5A | H5A2 | 110.4° | 109.5° |
| C5A | O4P | P | 130.2° | 106.8° |
| H5A1 | C5A | H5A2 | 99.9° | 109.5° |
| O4P | P | O1P | 104.2° | 109.5° |
| O4P | P | O2P | 104.0° | 109.5° |
| O4P | P | O3P | 126.6° | 109.5° |
| O1P | P | O2P | 110.4° | 109.4° |
| O1P | P | O3P | 103.3° | 109.4° |
| P | O1P | H1P | 104.1° | 106.8° |
| O2P | P | O3P | 107.8° | 109.5° |
| P | O2P | H2P | 104.1° | 106.9° |
| H71 | C7 | H72 | 109.1° | 109.5° |
| H71 | C7 | H73 | 101.0° | 109.5° |
| H72 | C7 | H73 | 109.1° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | C4A | HN | 125.3° | 113.8° |
| N | CA | CB | C | 124.0° | 120.0° |
| N | CA | CB | HA | 115.7° | 120.0° |
| N | CA | C | HA | 116.3° | 120.0° |
| N | CA | CB | OG | 65.2° | 65.0° |
| N | CA | CB | HB1 | 60.1° | 55.0° |
| N | CA | CB | HB2 | 169.5° | 175.0° |
| N | CA | C | O | 0.2° | 180.0° |
| N | CA | C | OXT | 179.8° | 0.1° |
| CA | N | C4A | C4 | 179.1° | 180.0° |
| CA | N | C4A | H4A1 | 53.8° | 60.0° |
| CA | N | C4A | H4A2 | 55.7° | 60.0° |
| C4A | N | CA | CB | 79.4° | 155.0° |
| C4A | N | CA | C | 156.4° | 85.0° |
| C4A | N | CA | HA | 36.2° | 34.9° |
| N | C4A | C4 | C3 | 16.2° | 90.0° |
| N | C4A | C4 | H4A1 | 125.2° | 120.0° |
| N | C4A | C4 | H4A2 | 125.3° | 120.0° |
| N | C4A | C4 | C5 | 163.7° | 90.3° |
| N | C4A | H4A1 | H4A2 | 110.2° | 119.9° |
| HN | N | CA | CB | 45.9° | 91.2° |
| HN | N | CA | C | 78.3° | 28.8° |
| HN | N | CA | HA | 161.5° | 148.8° |
| HN | N | C4A | C4 | 55.7° | 66.2° |
| HN | N | C4A | H4A1 | 179.1° | 173.8° |
| HN | N | C4A | H4A2 | 69.6° | 53.8° |
| CB | CA | C | HA | 116.2° | 120.0° |
| CA | CB | OG | HB1 | 125.3° | 120.0° |
| CA | CB | OG | HB2 | 125.3° | 120.1° |
| CA | CB | HB1 | HB2 | 114.5° | 120.1° |
| CA | CB | OG | C7 | 178.9° | 180.0° |
| CB | CA | C | O | 127.6° | 60.0° |
| CB | CA | C | OXT | 52.3° | 120.0° |
| C | CA | CB | OG | 58.8° | 55.0° |
| C | CA | CB | HB1 | 175.9° | 175.0° |
| C | CA | CB | HB2 | 66.4° | 65.0° |
| CA | C | O | OXT | 180.0° | 179.9° |
| CA | C | O | HO | 180.0° | 180.0° |
| HA | CA | CB | OG | 179.1° | 175.0° |
| HA | CA | CB | HB1 | 55.6° | 65.1° |
| HA | CA | CB | HB2 | 53.8° | 55.0° |
| HA | CA | C | O | 116.2° | 60.0° |
| HA | CA | C | OXT | 63.9° | 120.0° |
| OG | CB | HB1 | HB2 | 114.5° | 119.9° |
| CB | OG | C7 | H71 | 54.7° | 60.0° |
| CB | OG | C7 | H72 | 180.0° | 60.0° |
| CB | OG | C7 | H73 | 54.7° | 180.0° |
| HB1 | CB | OG | C7 | 55.8° | 60.0° |
| HB2 | CB | OG | C7 | 53.6° | 60.0° |
| OG | C7 | H71 | H72 | 130.4° | 120.0° |
| OG | C7 | H71 | H73 | 114.8° | 120.0° |
| OG | C7 | H72 | H73 | 125.3° | 120.0° |
| OXT | C | O | HO | 0.0° | 0.1° |
| N1 | C2 | C2A | C3 | 179.9° | 180.0° |
| N1 | C2 | C2A | H2A1 | 54.7° | 90.0° |
| N1 | C2 | C2A | H2A2 | 180.0° | 30.1° |
| N1 | C2 | C2A | H2A3 | 54.7° | 150.0° |
| N1 | C2 | C3 | O3 | 180.0° | 179.9° |
| N1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C2 | N1 | C6 | C5 | 0.1° | 0.3° |
| C2 | N1 | C6 | H6 | 179.9° | 180.0° |
| C6 | N1 | C2 | C2A | 180.0° | 180.0° |
| C6 | N1 | C2 | C3 | 0.1° | 0.0° |
| N1 | C6 | C5 | C4 | 0.2° | 0.6° |
| N1 | C6 | C5 | H6 | 180.0° | 179.7° |
| N1 | C6 | C5 | C5A | 179.9° | 180.0° |
| C2 | C2A | H2A1 | H2A2 | 131.9° | 120.0° |
| C2 | C2A | H2A1 | H2A3 | 114.0° | 120.0° |
| C2 | C2A | H2A2 | H2A3 | 125.3° | 119.9° |
| C2A | C2 | C3 | O3 | 0.1° | 0.0° |
| C2A | C2 | C3 | C4 | 179.9° | 180.0° |
| C3 | C2 | C2A | H2A1 | 125.2° | 90.0° |
| C3 | C2 | C2A | H2A2 | 0.1° | 150.0° |
| C3 | C2 | C2A | H2A3 | 125.4° | 30.1° |
| C2 | C3 | O3 | C4 | 179.9° | 180.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 89.9° |
| C2 | C3 | C4 | C4A | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.3° |
| H2A1 | C2A | H2A2 | H2A3 | 109.5° | 120.1° |
| O3 | C3 | C4 | C4A | 0.0° | 0.0° |
| O3 | C3 | C4 | C5 | 179.9° | 179.7° |
| C4 | C3 | O3 | HO3 | 0.2° | 90.0° |
| C3 | C4 | C4A | C5 | 179.9° | 179.7° |
| C3 | C4 | C4A | H4A1 | 109.0° | 30.0° |
| C3 | C4 | C4A | H4A2 | 141.5° | 150.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.6° |
| C3 | C4 | C5 | C5A | 179.9° | 180.0° |
| C4 | C4A | H4A1 | H4A2 | 110.2° | 120.0° |
| C4A | C4 | C5 | C6 | 179.9° | 179.7° |
| C4A | C4 | C5 | C5A | 0.0° | 0.3° |
| C5 | C4 | C4A | H4A1 | 71.0° | 149.7° |
| C5 | C4 | C4A | H4A2 | 38.5° | 29.7° |
| C4 | C5 | C6 | C5A | 179.9° | 179.4° |
| C4 | C5 | C6 | H6 | 179.8° | 179.7° |
| C4 | C5 | C5A | O4P | 66.2° | 179.4° |
| C4 | C5 | C5A | H5A1 | 59.1° | 60.6° |
| C4 | C5 | C5A | H5A2 | 168.5° | 59.4° |
| C6 | C5 | C5A | O4P | 113.7° | 0.0° |
| C6 | C5 | C5A | H5A1 | 121.0° | 120.0° |
| C6 | C5 | C5A | H5A2 | 11.5° | 120.0° |
| C5A | C5 | C6 | H6 | 0.2° | 0.3° |
| C5 | C5A | O4P | H5A1 | 125.3° | 120.0° |
| C5 | C5A | O4P | H5A2 | 125.3° | 120.0° |
| C5 | C5A | H5A1 | H5A2 | 116.3° | 120.0° |
| C5 | C5A | O4P | P | 164.0° | 180.0° |
| O4P | C5A | H5A1 | H5A2 | 116.3° | 120.0° |
| C5A | O4P | P | O1P | 45.4° | 65.0° |
| C5A | O4P | P | O2P | 70.3° | 175.0° |
| C5A | O4P | P | O3P | 164.3° | 54.9° |
| H5A1 | C5A | O4P | P | 38.7° | 60.0° |
| H5A2 | C5A | O4P | P | 70.8° | 60.0° |
| O4P | P | O1P | O2P | 111.2° | 120.0° |
| O4P | P | O1P | O3P | 133.8° | 120.0° |
| O4P | P | O2P | O3P | 136.6° | 120.1° |
| O4P | P | O1P | H1P | 180.0° | 60.0° |
| O4P | P | O2P | H2P | 180.0° | 180.0° |
| O1P | P | O2P | O3P | 112.2° | 119.9° |
| O1P | P | O2P | H2P | 68.8° | 60.0° |
| O2P | P | O1P | H1P | 68.8° | 60.0° |
| O3P | P | O1P | H1P | 46.2° | 180.0° |
| O3P | P | O2P | H2P | 43.4° | 60.0° |
| H71 | C7 | H72 | H73 | 109.5° | 120.0° |
