PFX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| CA | C2 | sing | 1.53Å | 1.53Å | |
| C2 | O3 | sing | 1.43Å | 1.46Å | |
| O3 | C4 | sing | 1.43Å | 1.46Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C7 | O6 | sing | 1.43Å | 1.46Å | |
| C7 | C | sing | 1.51Å | 1.53Å | |
| C5 | O6 | sing | 1.43Å | 1.46Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | HA1 | sing | 1.09Å | 1.10Å | |
| CA | HA2 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | C2 | 110.3° | 109.4° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | N | H | 109.5° | 111.0° |
| N | CA | HA1 | 109.3° | 109.4° |
| N | CA | HA2 | 109.3° | 109.5° |
| CA | C2 | O3 | 109.2° | 109.5° |
| C2 | CA | HA1 | 109.3° | 109.5° |
| C2 | CA | HA2 | 109.2° | 109.5° |
| CA | C2 | H5 | 109.5° | 109.4° |
| CA | C2 | H6 | 109.5° | 109.5° |
| C2 | O3 | C4 | 111.1° | 114.0° |
| O3 | C2 | H5 | 109.5° | 109.5° |
| O3 | C2 | H6 | 109.5° | 109.5° |
| O3 | C4 | C5 | 109.3° | 109.5° |
| O3 | C4 | H7 | 109.5° | 109.5° |
| O3 | C4 | H8 | 109.5° | 109.4° |
| C4 | C5 | O6 | 109.4° | 109.4° |
| C5 | C4 | H7 | 109.5° | 109.5° |
| C5 | C4 | H8 | 109.5° | 109.4° |
| C4 | C5 | H9 | 109.5° | 109.5° |
| C4 | C5 | H10 | 109.5° | 109.5° |
| O6 | C7 | C | 109.4° | 109.5° |
| C7 | O6 | C5 | 111.4° | 114.0° |
| O6 | C7 | H11 | 109.5° | 109.5° |
| O6 | C7 | H12 | 109.5° | 109.5° |
| C7 | C | O | 120.9° | 120.0° |
| C | C7 | H11 | 109.5° | 109.5° |
| C | C7 | H12 | 109.5° | 109.4° |
| C7 | C | OXT | 114.8° | 120.0° |
| O6 | C5 | H9 | 109.5° | 109.5° |
| O6 | C5 | H10 | 109.5° | 109.5° |
| O | C | OXT | 123.1° | 120.0° |
| H2 | N | H | 109.5° | 111.0° |
| HA1 | CA | HA2 | 109.5° | 109.5° |
| H5 | C2 | H6 | 109.5° | 109.4° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| H9 | C5 | H10 | 109.5° | 109.5° |
| H11 | C7 | H12 | 109.5° | 109.4° |
| C | OXT | HXT | 109.5° | 117.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | C2 | HA1 | 120.1° | 119.9° |
| N | CA | C2 | HA2 | 120.1° | 120.0° |
| N | CA | C2 | O3 | 170.6° | 65.0° |
| CA | N | H2 | H | 120.0° | 123.9° |
| N | CA | HA1 | HA2 | 119.7° | 120.0° |
| N | CA | C2 | H5 | 50.7° | 175.0° |
| N | CA | C2 | H6 | 69.4° | 55.1° |
| CA | C2 | O3 | H5 | 119.9° | 120.0° |
| CA | C2 | O3 | H6 | 120.0° | 120.1° |
| CA | C2 | O3 | C4 | 168.0° | 179.9° |
| C2 | CA | N | H2 | 180.0° | 56.1° |
| C2 | CA | N | H | 60.0° | 180.0° |
| C2 | CA | HA1 | HA2 | 119.6° | 120.1° |
| CA | C2 | H5 | H6 | 120.1° | 120.0° |
| C2 | O3 | C4 | C5 | 170.9° | 180.0° |
| O3 | C2 | CA | HA1 | 69.2° | 54.9° |
| O3 | C2 | CA | HA2 | 50.5° | 175.0° |
| O3 | C2 | H5 | H6 | 120.1° | 120.0° |
| C2 | O3 | C4 | H7 | 50.9° | 60.0° |
| C2 | O3 | C4 | H8 | 69.1° | 60.1° |
| O3 | C4 | C5 | H7 | 120.0° | 120.1° |
| O3 | C4 | C5 | H8 | 120.0° | 119.9° |
| O3 | C4 | C5 | O6 | 173.3° | 65.0° |
| C4 | O3 | C2 | H5 | 72.1° | 60.0° |
| C4 | O3 | C2 | H6 | 48.0° | 60.0° |
| O3 | C4 | H7 | H8 | 120.1° | 120.0° |
| O3 | C4 | C5 | H9 | 53.3° | 175.0° |
| O3 | C4 | C5 | H10 | 66.7° | 54.9° |
| C4 | C5 | O6 | C7 | 66.4° | 180.0° |
| C4 | C5 | O6 | H9 | 120.0° | 120.0° |
| C4 | C5 | O6 | H10 | 120.0° | 120.0° |
| C5 | C4 | H7 | H8 | 120.1° | 120.0° |
| C4 | C5 | H9 | H10 | 120.0° | 120.0° |
| O6 | C7 | C | H11 | 120.0° | 120.1° |
| O6 | C7 | C | H12 | 120.0° | 120.0° |
| O6 | C7 | C | O | 121.8° | 0.0° |
| C7 | O6 | C5 | H9 | 53.6° | 60.0° |
| C7 | O6 | C5 | H10 | 173.6° | 60.0° |
| O6 | C7 | H11 | H12 | 120.1° | 120.0° |
| O6 | C7 | C | OXT | 46.1° | 180.0° |
| C | C7 | O6 | C5 | 140.1° | 180.0° |
| C7 | C | O | OXT | 166.8° | 180.0° |
| C | C7 | H11 | H12 | 120.0° | 119.9° |
| C7 | C | OXT | HXT | 167.5° | 180.0° |
| O6 | C5 | C4 | H7 | 66.7° | 55.0° |
| O6 | C5 | C4 | H8 | 53.3° | 175.0° |
| O6 | C5 | H9 | H10 | 120.0° | 120.0° |
| C5 | O6 | C7 | H11 | 100.0° | 60.0° |
| C5 | O6 | C7 | H12 | 20.1° | 60.0° |
| O | C | C7 | H11 | 1.8° | 120.0° |
| O | C | C7 | H12 | 118.3° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| H2 | N | CA | HA1 | 59.9° | 176.0° |
| H2 | N | CA | HA2 | 59.9° | 63.9° |
| H | N | CA | HA1 | 60.1° | 60.1° |
| H | N | CA | HA2 | 179.9° | 60.0° |
| HA1 | CA | C2 | H5 | 170.8° | 65.1° |
| HA1 | CA | C2 | H6 | 50.7° | 175.0° |
| HA2 | CA | C2 | H5 | 69.4° | 55.0° |
| HA2 | CA | C2 | H6 | 170.5° | 64.9° |
| H7 | C4 | C5 | H9 | 173.2° | 64.9° |
| H7 | C4 | C5 | H10 | 53.2° | 175.0° |
| H8 | C4 | C5 | H9 | 66.7° | 55.1° |
| H8 | C4 | C5 | H10 | 173.3° | 65.0° |
| H11 | C7 | C | OXT | 166.1° | 59.9° |
| H12 | C7 | C | OXT | 73.9° | 60.0° |
