PFM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.47Å | |
| N | HN1 | sing | 1.01Å | 1.02Å | |
| N | HN2 | sing | 1.01Å | 1.02Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| C | OA | doub | 1.21Å | 1.26Å | |
| C | OB | sing | 1.34Å | 1.26Å | |
| OB | HOB | sing | 0.97Å | 0.95Å | |
| CB | CG | sing | 1.51Å | 1.53Å | |
| CB | HB1 | sing | 1.09Å | 1.12Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CG | CD | doub | 1.34Å | 1.54Å | |
| CG | HG | sing | 1.08Å | 1.10Å | |
| CD | OE | sing | 1.36Å | 1.39Å | |
| CD | C4B | sing | 1.47Å | 1.33Å | |
| OE | HOE | sing | 0.97Å | 0.95Å | |
| C4B | C4A | doub | 1.34Å | 1.35Å | |
| C4B | H4B | sing | 1.08Å | 1.10Å | |
| C4A | C4 | sing | 1.47Å | 1.34Å | |
| C4A | H4A | sing | 1.08Å | 1.10Å | |
| C4 | C3 | doub | 1.41Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | O3 | sing | 1.36Å | 1.38Å | |
| C3 | C2 | sing | 1.38Å | 1.37Å | Aromatic |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C2 | C2A | sing | 1.51Å | 1.54Å | |
| C2 | N1 | doub | 1.32Å | 1.38Å | Aromatic |
| C2A | H2A1 | sing | 1.09Å | 1.11Å | |
| C2A | H2A2 | sing | 1.09Å | 1.12Å | |
| C2A | H2A3 | sing | 1.09Å | 1.12Å | |
| N1 | C6 | sing | 1.32Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C5 | C5A | sing | 1.51Å | 1.54Å | |
| C5A | OP4 | sing | 1.43Å | 1.43Å | |
| C5A | H5A1 | sing | 1.09Å | 1.11Å | |
| C5A | H5A2 | sing | 1.09Å | 1.12Å | |
| P | OP1 | doub | 1.48Å | 1.51Å | |
| P | OP2 | sing | 1.61Å | 1.52Å | |
| P | OP3 | sing | 1.61Å | 1.51Å | |
| P | OP4 | sing | 1.61Å | 1.63Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | HN1 | 117.5° | 106.7° |
| CA | N | HN2 | 109.3° | 106.7° |
| N | CA | C | 117.5° | 109.5° |
| N | CA | CB | 109.0° | 109.4° |
| N | CA | HA | 103.7° | 109.4° |
| HN1 | N | HN2 | 109.3° | 106.7° |
| C | CA | CB | 108.2° | 109.5° |
| C | CA | HA | 104.7° | 109.5° |
| CA | C | OA | 114.6° | 120.0° |
| CA | C | OB | 126.2° | 120.0° |
| CB | CA | HA | 113.8° | 109.5° |
| CA | CB | CG | 111.4° | 109.5° |
| CA | CB | HB1 | 111.5° | 109.4° |
| CA | CB | HB2 | 111.5° | 109.5° |
| OA | C | OB | 119.2° | 120.0° |
| C | OB | HOB | 126.1° | 119.9° |
| CG | CB | HB1 | 111.5° | 109.5° |
| CG | CB | HB2 | 111.5° | 109.4° |
| CB | CG | CD | 110.7° | 120.0° |
| CB | CG | HG | 124.2° | 120.0° |
| HB1 | CB | HB2 | 98.9° | 109.5° |
| CD | CG | HG | 125.1° | 120.0° |
| CG | CD | OE | 112.4° | 120.0° |
| CG | CD | C4B | 122.6° | 120.0° |
| OE | CD | C4B | 124.8° | 120.0° |
| CD | OE | HOE | 112.4° | 106.8° |
| CD | C4B | C4A | 125.2° | 119.9° |
| CD | C4B | H4B | 116.7° | 120.0° |
| C4A | C4B | H4B | 118.1° | 120.0° |
| C4B | C4A | C4 | 128.1° | 120.0° |
| C4B | C4A | H4A | 116.4° | 120.1° |
| C4 | C4A | H4A | 115.5° | 120.0° |
| C4A | C4 | C3 | 124.8° | 121.0° |
| C4A | C4 | C5 | 117.2° | 121.0° |
| C3 | C4 | C5 | 118.0° | 118.0° |
| C4 | C3 | O3 | 119.2° | 120.5° |
| C4 | C3 | C2 | 121.0° | 118.9° |
| C4 | C5 | C6 | 120.5° | 119.0° |
| C4 | C5 | C5A | 119.4° | 120.5° |
| O3 | C3 | C2 | 119.7° | 120.6° |
| C3 | O3 | HO3 | 119.2° | 106.8° |
| C3 | C2 | C2A | 122.7° | 119.6° |
| C3 | C2 | N1 | 120.7° | 120.8° |
| C2A | C2 | N1 | 116.5° | 119.6° |
| C2 | C2A | H2A1 | 122.7° | 109.5° |
| C2 | C2A | H2A2 | 107.4° | 109.4° |
| C2 | C2A | H2A3 | 107.5° | 109.4° |
| C2 | N1 | C6 | 118.9° | 122.2° |
| H2A1 | C2A | H2A2 | 107.5° | 109.5° |
| H2A1 | C2A | H2A3 | 107.6° | 109.5° |
| H2A2 | C2A | H2A3 | 102.3° | 109.5° |
| N1 | C6 | C5 | 120.8° | 121.1° |
| N1 | C6 | H6 | 120.3° | 119.5° |
| C5 | C6 | H6 | 118.9° | 119.5° |
| C6 | C5 | C5A | 120.0° | 120.5° |
| C5 | C5A | OP4 | 110.5° | 109.5° |
| C5 | C5A | H5A1 | 111.9° | 109.5° |
| C5 | C5A | H5A2 | 111.9° | 109.5° |
| OP4 | C5A | H5A1 | 111.8° | 109.5° |
| OP4 | C5A | H5A2 | 111.8° | 109.5° |
| C5A | OP4 | P | 119.2° | 106.8° |
| H5A1 | C5A | H5A2 | 98.6° | 109.4° |
| OP1 | P | OP2 | 111.6° | 109.5° |
| OP1 | P | OP3 | 115.5° | 109.5° |
| OP1 | P | OP4 | 106.1° | 109.4° |
| OP2 | P | OP3 | 112.8° | 109.5° |
| OP2 | P | OP4 | 106.5° | 109.5° |
| P | OP2 | HOP2 | 111.5° | 106.8° |
| OP3 | P | OP4 | 103.4° | 109.5° |
| P | OP3 | HOP3 | 115.5° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | HN1 | HN2 | 125.3° | 113.7° |
| N | CA | C | CB | 123.9° | 120.0° |
| N | CA | C | HA | 114.4° | 120.0° |
| N | CA | CB | HA | 115.3° | 119.9° |
| N | CA | C | OA | 148.2° | 29.9° |
| N | CA | C | OB | 34.5° | 150.0° |
| N | CA | CB | CG | 156.4° | 60.0° |
| N | CA | CB | HB1 | 31.2° | 180.0° |
| N | CA | CB | HB2 | 78.4° | 60.0° |
| HN1 | N | CA | C | 180.0° | 173.7° |
| HN1 | N | CA | CB | 56.5° | 53.7° |
| HN1 | N | CA | HA | 65.1° | 66.3° |
| HN2 | N | CA | C | 54.8° | 59.9° |
| HN2 | N | CA | CB | 68.8° | 60.0° |
| HN2 | N | CA | HA | 169.7° | 180.0° |
| C | CA | CB | HA | 115.9° | 120.1° |
| CA | C | OA | OB | 177.4° | 179.9° |
| CA | C | OB | HOB | 180.0° | 180.0° |
| C | CA | CB | CG | 74.7° | 180.0° |
| C | CA | CB | HB1 | 160.0° | 60.0° |
| C | CA | CB | HB2 | 50.5° | 60.0° |
| CB | CA | C | OA | 87.9° | 90.1° |
| CB | CA | C | OB | 89.4° | 90.1° |
| CA | CB | CG | HB1 | 125.2° | 119.9° |
| CA | CB | CG | HB2 | 125.3° | 120.0° |
| CA | CB | HB1 | HB2 | 117.5° | 120.0° |
| CA | CB | CG | CD | 147.1° | 125.4° |
| CA | CB | CG | HG | 32.8° | 54.6° |
| HA | CA | C | OA | 33.8° | 149.9° |
| HA | CA | C | OB | 148.9° | 30.0° |
| HA | CA | CB | CG | 41.1° | 59.9° |
| HA | CA | CB | HB1 | 84.1° | 60.0° |
| HA | CA | CB | HB2 | 166.4° | 179.9° |
| OA | C | OB | HOB | 2.9° | 0.1° |
| CG | CB | HB1 | HB2 | 117.4° | 120.0° |
| CB | CG | CD | HG | 179.9° | 180.0° |
| CB | CG | CD | OE | 14.1° | 5.4° |
| CB | CG | CD | C4B | 160.0° | 174.6° |
| HB1 | CB | CG | CD | 21.9° | 114.7° |
| HB1 | CB | CG | HG | 158.1° | 65.3° |
| HB2 | CB | CG | CD | 87.6° | 5.3° |
| HB2 | CB | CG | HG | 92.4° | 174.6° |
| CG | CD | OE | C4B | 174.0° | 180.0° |
| CG | CD | OE | HOE | 180.0° | 85.1° |
| CG | CD | C4B | C4A | 51.8° | 180.0° |
| CG | CD | C4B | H4B | 128.3° | 0.0° |
| HG | CG | CD | OE | 165.8° | 174.7° |
| HG | CG | CD | C4B | 20.0° | 5.3° |
| OE | CD | C4B | C4A | 134.9° | 0.0° |
| OE | CD | C4B | H4B | 45.1° | 180.0° |
| C4B | CD | OE | HOE | 6.0° | 94.9° |
| CD | C4B | C4A | H4B | 180.0° | 180.0° |
| CD | C4B | C4A | C4 | 178.7° | 180.0° |
| CD | C4B | C4A | H4A | 1.4° | 0.0° |
| C4B | C4A | C4 | H4A | 180.0° | 179.9° |
| C4B | C4A | C4 | C3 | 17.0° | 59.7° |
| C4B | C4A | C4 | C5 | 165.7° | 120.0° |
| H4B | C4B | C4A | C4 | 1.4° | 0.0° |
| H4B | C4B | C4A | H4A | 178.6° | 180.0° |
| C4A | C4 | C3 | C5 | 177.2° | 179.7° |
| C4A | C4 | C3 | O3 | 6.8° | 0.2° |
| C4A | C4 | C3 | C2 | 176.0° | 179.8° |
| C4A | C4 | C5 | C6 | 175.5° | 180.0° |
| C4A | C4 | C5 | C5A | 7.8° | 0.0° |
| H4A | C4A | C4 | C3 | 162.9° | 120.3° |
| H4A | C4A | C4 | C5 | 14.3° | 60.0° |
| C4 | C3 | O3 | C2 | 177.3° | 179.5° |
| C4 | C3 | O3 | HO3 | 180.0° | 89.9° |
| C4 | C3 | C2 | C2A | 178.8° | 179.7° |
| C4 | C3 | C2 | N1 | 0.1° | 0.5° |
| C3 | C4 | C5 | C6 | 1.9° | 0.2° |
| C3 | C4 | C5 | C5A | 174.8° | 179.7° |
| C5 | C4 | C3 | O3 | 176.0° | 180.0° |
| C5 | C4 | C3 | C2 | 1.2° | 0.5° |
| C4 | C5 | C6 | N1 | 1.2° | 0.0° |
| C4 | C5 | C6 | C5A | 176.6° | 179.9° |
| C4 | C5 | C6 | H6 | 178.8° | 180.0° |
| C4 | C5 | C5A | OP4 | 81.9° | 179.9° |
| C4 | C5 | C5A | H5A1 | 152.9° | 59.9° |
| C4 | C5 | C5A | H5A2 | 43.3° | 60.1° |
| O3 | C3 | C2 | C2A | 1.5° | 0.2° |
| O3 | C3 | C2 | N1 | 177.4° | 180.0° |
| C2 | C3 | O3 | HO3 | 2.7° | 90.6° |
| C3 | C2 | C2A | N1 | 178.9° | 179.7° |
| C3 | C2 | C2A | H2A1 | 180.0° | 90.3° |
| C3 | C2 | C2A | H2A2 | 54.7° | 29.7° |
| C3 | C2 | C2A | H2A3 | 54.7° | 149.7° |
| C3 | C2 | N1 | C6 | 0.9° | 0.3° |
| C2 | C2A | H2A1 | H2A2 | 125.2° | 120.0° |
| C2 | C2A | H2A1 | H2A3 | 125.3° | 119.9° |
| C2 | C2A | H2A2 | H2A3 | 113.0° | 119.9° |
| C2A | C2 | N1 | C6 | 178.1° | 180.0° |
| N1 | C2 | C2A | H2A1 | 1.1° | 90.0° |
| N1 | C2 | C2A | H2A2 | 126.3° | 150.0° |
| N1 | C2 | C2A | H2A3 | 124.2° | 30.0° |
| C2 | N1 | C6 | C5 | 0.2° | 0.0° |
| C2 | N1 | C6 | H6 | 179.8° | 180.0° |
| H2A1 | C2A | H2A2 | H2A3 | 113.2° | 120.0° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| N1 | C6 | C5 | C5A | 175.5° | 180.0° |
| C6 | C5 | C5A | OP4 | 101.4° | 0.0° |
| C6 | C5 | C5A | H5A1 | 23.8° | 120.0° |
| C6 | C5 | C5A | H5A2 | 133.4° | 120.0° |
| H6 | C6 | C5 | C5A | 4.6° | 0.0° |
| C5 | C5A | OP4 | H5A1 | 125.3° | 120.0° |
| C5 | C5A | OP4 | H5A2 | 125.3° | 120.0° |
| C5 | C5A | H5A1 | H5A2 | 117.8° | 120.0° |
| C5 | C5A | OP4 | P | 167.1° | 180.0° |
| OP4 | C5A | H5A1 | H5A2 | 117.7° | 120.0° |
| C5A | OP4 | P | OP1 | 46.0° | 60.0° |
| C5A | OP4 | P | OP2 | 73.0° | 180.0° |
| C5A | OP4 | P | OP3 | 167.9° | 60.0° |
| H5A1 | C5A | OP4 | P | 67.6° | 60.0° |
| H5A2 | C5A | OP4 | P | 41.8° | 60.0° |
| OP1 | P | OP2 | OP3 | 131.9° | 120.0° |
| OP1 | P | OP2 | OP4 | 115.3° | 120.0° |
| OP1 | P | OP3 | OP4 | 115.4° | 120.0° |
| OP1 | P | OP2 | HOP2 | 180.0° | 60.1° |
| OP1 | P | OP3 | HOP3 | 180.0° | 179.9° |
| OP2 | P | OP3 | OP4 | 114.7° | 120.0° |
| OP2 | P | OP3 | HOP3 | 50.1° | 60.0° |
| OP3 | P | OP2 | HOP2 | 48.1° | 60.0° |
| OP4 | P | OP2 | HOP2 | 64.7° | 180.0° |
| OP4 | P | OP3 | HOP3 | 64.6° | 60.0° |
