PW0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3P | P | sing | 1.61Å | 1.54Å | |
| O2P | P | sing | 1.61Å | 1.50Å | |
| P | O4P | sing | 1.61Å | 1.63Å | |
| P | O1P | doub | 1.48Å | 1.50Å | |
| O4P | C5A | sing | 1.43Å | 1.46Å | |
| C5A | C5 | sing | 1.51Å | 1.49Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | N1 | sing | 1.32Å | 1.36Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| N1 | C2 | doub | 1.32Å | 1.33Å | Aromatic |
| C4 | C4A | sing | 1.51Å | 1.51Å | |
| C4 | C3 | doub | 1.39Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | C2A | sing | 1.51Å | 1.51Å | |
| C4A | N | sing | 1.47Å | 1.47Å | |
| C3 | O3 | sing | 1.36Å | 1.35Å | |
| CG | CD | sing | 1.51Å | 1.53Å | |
| CG | CB | sing | 1.53Å | 1.51Å | |
| OE2 | CD | doub | 1.21Å | 1.20Å | |
| CD | OE1 | sing | 1.34Å | 1.22Å | |
| N | CA | doub | 1.28Å | 1.35Å | |
| CB | CA | sing | 1.51Å | 1.51Å | |
| CA | C | sing | 1.48Å | 1.38Å | |
| O | C | doub | 1.21Å | 1.21Å | |
| C | OXT | sing | 1.35Å | 1.23Å | |
| C2A | H2A1 | sing | 1.09Å | 1.10Å | |
| C2A | H2A2 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4A | H4A1 | sing | 1.09Å | 1.10Å | |
| C4A | H4A2 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5A | H5A1 | sing | 1.09Å | 1.10Å | |
| C5A | H5A2 | sing | 1.09Å | 1.10Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CG | HG1 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| OE1 | HOE1 | sing | 0.97Å | 0.95Å | |
| OXT | HOXT | sing | 0.97Å | 0.95Å | |
| C2A | H2A3 | sing | 1.09Å | 1.10Å | |
| O3P | HOP3 | sing | 0.97Å | 0.95Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3P | P | O2P | 114.1° | 109.5° |
| O3P | P | O4P | 105.4° | 109.5° |
| O3P | P | O1P | 110.4° | 109.5° |
| P | O3P | HOP3 | 109.5° | 114.0° |
| O2P | P | O4P | 104.3° | 109.4° |
| O2P | P | O1P | 116.1° | 109.4° |
| P | O2P | HOP2 | 109.5° | 114.0° |
| O4P | P | O1P | 105.4° | 109.5° |
| P | O4P | C5A | 119.0° | 123.0° |
| O4P | C5A | C5 | 108.1° | 109.4° |
| O4P | C5A | H5A1 | 109.8° | 109.5° |
| O4P | C5A | H5A2 | 109.8° | 109.5° |
| C5A | C5 | C6 | 121.4° | 120.4° |
| C5A | C5 | C4 | 120.8° | 120.4° |
| C5 | C5A | H5A1 | 109.8° | 109.4° |
| C5 | C5A | H5A2 | 109.8° | 109.5° |
| C5 | C6 | N1 | 123.7° | 120.9° |
| C6 | C5 | C4 | 117.8° | 119.2° |
| C5 | C6 | H6 | 118.2° | 119.5° |
| C6 | N1 | C2 | 119.8° | 121.8° |
| N1 | C6 | H6 | 118.1° | 119.6° |
| C5 | C4 | C4A | 120.9° | 120.8° |
| C5 | C4 | C3 | 117.8° | 118.4° |
| N1 | C2 | C3 | 119.6° | 120.7° |
| N1 | C2 | C2A | 119.2° | 119.6° |
| C4A | C4 | C3 | 121.3° | 120.8° |
| C4 | C4A | N | 111.0° | 109.5° |
| C4 | C4A | H4A1 | 109.1° | 109.5° |
| C4 | C4A | H4A2 | 109.1° | 109.5° |
| C4 | C3 | C2 | 121.1° | 119.1° |
| C4 | C3 | O3 | 118.2° | 120.5° |
| C3 | C2 | C2A | 121.1° | 119.7° |
| C2 | C3 | O3 | 120.7° | 120.5° |
| C2 | C2A | H2A1 | 109.5° | 109.5° |
| C2 | C2A | H2A2 | 109.5° | 109.5° |
| C2 | C2A | H2A3 | 109.5° | 109.5° |
| C4A | N | CA | 120.6° | 120.0° |
| N | C4A | H4A1 | 109.1° | 109.5° |
| N | C4A | H4A2 | 109.1° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| CD | CG | CB | 115.5° | 109.4° |
| CG | CD | OE2 | 118.6° | 120.0° |
| CG | CD | OE1 | 118.3° | 120.0° |
| CD | CG | HG1 | 107.9° | 109.4° |
| CD | CG | HG2 | 107.9° | 109.5° |
| CG | CB | CA | 117.0° | 109.4° |
| CG | CB | HB2 | 107.6° | 109.5° |
| CB | CG | HG1 | 107.9° | 109.5° |
| CB | CG | HG2 | 107.9° | 109.5° |
| CG | CB | HB1 | 107.5° | 109.5° |
| OE2 | CD | OE1 | 123.0° | 120.0° |
| CD | OE1 | HOE1 | 109.5° | 117.0° |
| N | CA | CB | 127.2° | 120.0° |
| N | CA | C | 120.0° | 120.0° |
| CB | CA | C | 112.6° | 120.0° |
| CA | CB | HB2 | 107.5° | 109.5° |
| CA | CB | HB1 | 107.6° | 109.5° |
| CA | C | O | 111.0° | 120.0° |
| CA | C | OXT | 127.7° | 120.0° |
| O | C | OXT | 121.3° | 120.0° |
| C | OXT | HOXT | 109.5° | 116.9° |
| H2A1 | C2A | H2A2 | 109.5° | 109.4° |
| H2A1 | C2A | H2A3 | 109.5° | 109.5° |
| H2A2 | C2A | H2A3 | 109.5° | 109.5° |
| H4A1 | C4A | H4A2 | 109.5° | 109.4° |
| H5A1 | C5A | H5A2 | 109.5° | 109.5° |
| HB2 | CB | HB1 | 109.5° | 109.5° |
| HG1 | CG | HG2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3P | P | O2P | O4P | 114.5° | 120.0° |
| O3P | P | O2P | O1P | 130.1° | 120.1° |
| O3P | P | O4P | O1P | 116.8° | 120.1° |
| O3P | P | O4P | C5A | 56.4° | 65.0° |
| O3P | P | O2P | HOP2 | 130.1° | 60.0° |
| O2P | P | O4P | O1P | 122.7° | 119.9° |
| O2P | P | O4P | C5A | 176.9° | 174.9° |
| O2P | P | O3P | HOP3 | 132.9° | 60.0° |
| P | O4P | C5A | C5 | 158.7° | 180.0° |
| P | O4P | C5A | H5A1 | 81.6° | 60.1° |
| P | O4P | C5A | H5A2 | 38.9° | 60.0° |
| O4P | P | O2P | HOP2 | 115.4° | 180.0° |
| O4P | P | O3P | HOP3 | 113.3° | 60.0° |
| O1P | P | O4P | C5A | 60.4° | 55.0° |
| O1P | P | O2P | HOP2 | 0.0° | 60.0° |
| O1P | P | O3P | HOP3 | 0.0° | 180.0° |
| O4P | C5A | C5 | H5A1 | 119.8° | 120.0° |
| O4P | C5A | C5 | H5A2 | 119.8° | 120.0° |
| O4P | C5A | C5 | C6 | 103.7° | 0.1° |
| O4P | C5A | C5 | C4 | 76.1° | 179.9° |
| O4P | C5A | H5A1 | H5A2 | 120.6° | 120.1° |
| C5A | C5 | C6 | C4 | 179.8° | 180.0° |
| C5A | C5 | C6 | N1 | 178.2° | 180.0° |
| C5A | C5 | C4 | C4A | 1.2° | 0.1° |
| C5A | C5 | C4 | C3 | 179.4° | 180.0° |
| C5A | C5 | C6 | H6 | 1.8° | 0.0° |
| C5 | C5A | H5A1 | H5A2 | 120.7° | 120.0° |
| C5 | C6 | N1 | H6 | 180.0° | 180.0° |
| C5 | C6 | N1 | C2 | 4.2° | 0.0° |
| C6 | C5 | C4 | C4A | 179.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.4° | 0.0° |
| C6 | C5 | C5A | H5A1 | 16.1° | 120.0° |
| C6 | C5 | C5A | H5A2 | 136.6° | 120.0° |
| N1 | C6 | C5 | C4 | 2.0° | 0.0° |
| C6 | N1 | C2 | C3 | 3.9° | 0.0° |
| C6 | N1 | C2 | C2A | 177.8° | 180.0° |
| C5 | C4 | C4A | C3 | 179.4° | 179.9° |
| C5 | C4 | C3 | C2 | 0.6° | 0.0° |
| C5 | C4 | C4A | N | 116.6° | 89.9° |
| C5 | C4 | C3 | O3 | 178.1° | 179.9° |
| C5 | C4 | C4A | H4A1 | 3.7° | 30.1° |
| C5 | C4 | C4A | H4A2 | 123.2° | 150.0° |
| C4 | C5 | C6 | H6 | 178.0° | 180.0° |
| C4 | C5 | C5A | H5A1 | 164.1° | 60.0° |
| C4 | C5 | C5A | H5A2 | 43.6° | 60.1° |
| N1 | C2 | C3 | C4 | 1.5° | 0.0° |
| N1 | C2 | C3 | C2A | 178.4° | 179.9° |
| N1 | C2 | C3 | O3 | 175.9° | 179.9° |
| N1 | C2 | C2A | H2A1 | 0.0° | 90.0° |
| N1 | C2 | C2A | H2A2 | 120.0° | 150.0° |
| C2 | N1 | C6 | H6 | 175.8° | 180.0° |
| N1 | C2 | C2A | H2A3 | 120.0° | 30.0° |
| C4A | C4 | C3 | C2 | 178.8° | 180.0° |
| C4 | C4A | N | H4A1 | 120.2° | 120.0° |
| C4 | C4A | N | H4A2 | 120.2° | 120.0° |
| C4A | C4 | C3 | O3 | 1.3° | 0.0° |
| C4 | C4A | N | CA | 164.6° | 175.3° |
| C4 | C4A | H4A1 | H4A2 | 119.3° | 120.0° |
| C4 | C3 | C2 | O3 | 177.5° | 180.0° |
| C4 | C3 | C2 | C2A | 179.9° | 180.0° |
| C3 | C4 | C4A | N | 62.8° | 90.0° |
| C4 | C3 | O3 | HO3 | 180.0° | 90.0° |
| C3 | C4 | C4A | H4A1 | 176.9° | 150.0° |
| C3 | C4 | C4A | H4A2 | 57.4° | 30.0° |
| C3 | C2 | C2A | H2A1 | 178.4° | 89.9° |
| C3 | C2 | C2A | H2A2 | 58.4° | 30.0° |
| C2 | C3 | O3 | HO3 | 2.4° | 90.0° |
| C3 | C2 | C2A | H2A3 | 61.6° | 150.0° |
| C2A | C2 | C3 | O3 | 2.4° | 0.0° |
| C2 | C2A | H2A1 | H2A2 | 120.0° | 120.0° |
| C2 | C2A | H2A1 | H2A3 | 120.0° | 120.0° |
| C2 | C2A | H2A2 | H2A3 | 120.0° | 120.0° |
| C4A | N | CA | CB | 75.3° | 5.6° |
| C4A | N | CA | C | 99.0° | 174.3° |
| N | C4A | H4A1 | H4A2 | 119.3° | 120.0° |
| CD | CG | CB | HG1 | 120.9° | 119.9° |
| CD | CG | CB | HG2 | 120.9° | 120.0° |
| CG | CD | OE2 | OE1 | 176.5° | 180.0° |
| CD | CG | CB | CA | 88.6° | 180.0° |
| CD | CG | CB | HB2 | 32.4° | 60.0° |
| CD | CG | HG1 | HG2 | 117.2° | 120.0° |
| CG | CD | OE1 | HOE1 | 176.5° | 180.0° |
| CD | CG | CB | HB1 | 150.2° | 60.0° |
| CB | CG | CD | OE2 | 127.3° | 0.0° |
| CB | CG | CD | OE1 | 56.0° | 180.0° |
| CG | CB | CA | N | 2.1° | 87.8° |
| CG | CB | CA | HB2 | 121.1° | 120.0° |
| CG | CB | CA | HB1 | 121.1° | 120.0° |
| CG | CB | CA | C | 176.8° | 92.3° |
| CG | CB | HB2 | HB1 | 116.6° | 120.0° |
| CB | CG | HG1 | HG2 | 117.2° | 120.1° |
| OE2 | CD | CG | HG1 | 6.4° | 120.0° |
| OE2 | CD | CG | HG2 | 111.8° | 120.0° |
| OE2 | CD | OE1 | HOE1 | 0.0° | 0.0° |
| OE1 | CD | CG | HG1 | 176.9° | 60.0° |
| OE1 | CD | CG | HG2 | 64.8° | 60.0° |
| N | CA | CB | C | 174.7° | 180.0° |
| N | CA | C | O | 119.3° | 180.0° |
| N | CA | C | OXT | 60.9° | 0.0° |
| CA | N | C4A | H4A1 | 75.2° | 55.3° |
| CA | N | C4A | H4A2 | 44.4° | 64.7° |
| N | CA | CB | HB2 | 123.2° | 152.3° |
| N | CA | CB | HB1 | 119.0° | 32.2° |
| CB | CA | C | O | 55.8° | 0.1° |
| CB | CA | C | OXT | 124.0° | 180.0° |
| CA | CB | HB2 | HB1 | 116.6° | 120.0° |
| CA | CB | CG | HG1 | 150.5° | 60.1° |
| CA | CB | CG | HG2 | 32.2° | 60.0° |
| CA | C | O | OXT | 179.8° | 180.0° |
| C | CA | CB | HB2 | 62.1° | 27.7° |
| CA | C | OXT | HOXT | 179.8° | 180.0° |
| C | CA | CB | HB1 | 55.7° | 147.7° |
| O | C | OXT | HOXT | 0.0° | 0.0° |
| H2A1 | C2A | H2A2 | H2A3 | 120.0° | 120.0° |
| HB2 | CB | CG | HG1 | 88.5° | 179.9° |
| HB2 | CB | CG | HG2 | 153.3° | 60.0° |
| HG1 | CG | CB | HB1 | 29.4° | 59.9° |
| HG2 | CG | CB | HB1 | 88.9° | 180.0° |
