PXU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CD | N | sing | 1.49Å | 1.48Å | |
| CD | CG | sing | 1.54Å | 1.51Å | |
| N | CA | sing | 1.49Å | 1.47Å | |
| CG | CB | sing | 1.54Å | 1.52Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| CA | CB | sing | 1.54Å | 1.52Å | |
| CA | OA | sing | 1.43Å | 1.42Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| OA | H3 | sing | 0.97Å | 0.95Å | |
| CB | H4 | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CG | H6 | sing | 1.09Å | 1.10Å | |
| CG | H7 | sing | 1.09Å | 1.10Å | |
| CD | H8 | sing | 1.09Å | 1.10Å | |
| CD | H9 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 223.23Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CD | CG | 106.2° | 104.6° |
| CD | N | CA | 108.8° | 104.3° |
| CD | N | H | 109.7° | 111.0° |
| N | CD | H8 | 110.3° | 110.4° |
| N | CD | H9 | 110.3° | 110.4° |
| CD | CG | CB | 104.3° | 105.1° |
| CD | CG | H6 | 110.7° | 110.3° |
| CD | CG | H7 | 110.8° | 110.4° |
| CG | CD | H8 | 110.3° | 110.4° |
| CG | CD | H9 | 110.3° | 110.4° |
| N | CA | C | 111.5° | 110.4° |
| N | CA | CB | 106.9° | 104.6° |
| N | CA | OA | 109.8° | 110.4° |
| CA | N | H | 109.6° | 111.0° |
| CG | CB | CA | 104.2° | 105.1° |
| CG | CB | H4 | 110.8° | 110.3° |
| CG | CB | H5 | 110.8° | 110.4° |
| CB | CG | H6 | 110.8° | 110.3° |
| CB | CG | H7 | 110.8° | 110.3° |
| O | C | CA | 120.3° | 120.0° |
| O | C | OXT | 48.2° | 120.0° |
| C | CA | CB | 111.7° | 110.4° |
| C | CA | OA | 106.6° | 110.4° |
| CA | C | OXT | 82.3° | 120.0° |
| CB | CA | OA | 110.4° | 110.5° |
| CA | CB | H4 | 110.8° | 110.3° |
| CA | CB | H5 | 110.8° | 110.3° |
| CA | OA | H3 | 109.5° | 114.0° |
| H4 | CB | H5 | 109.5° | 110.3° |
| H6 | CG | H7 | 109.5° | 110.3° |
| H8 | CD | H9 | 109.5° | 110.5° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CD | CG | H8 | 119.5° | 118.7° |
| N | CD | CG | H9 | 119.5° | 118.8° |
| CD | N | CA | H | 119.9° | 119.6° |
| N | CD | CG | CB | 28.0° | 23.8° |
| CD | N | CA | C | 128.0° | 158.2° |
| CD | N | CA | CB | 5.6° | 39.5° |
| CD | N | CA | OA | 114.1° | 79.4° |
| N | CD | CG | H6 | 91.2° | 95.1° |
| N | CD | CG | H7 | 147.1° | 142.8° |
| N | CD | H8 | H9 | 121.5° | 122.4° |
| CG | CD | N | CA | 14.0° | 39.4° |
| CD | CG | CB | H6 | 119.2° | 118.9° |
| CD | CG | CB | H7 | 119.2° | 119.1° |
| CD | CG | CB | CA | 30.9° | 0.0° |
| CG | CD | N | H | 133.9° | 80.1° |
| CD | CG | CB | H4 | 150.1° | 118.9° |
| CD | CG | CB | H5 | 88.3° | 119.0° |
| CD | CG | H6 | H7 | 122.4° | 122.2° |
| CG | CD | H8 | H9 | 121.5° | 122.4° |
| N | CA | CB | CG | 22.8° | 23.8° |
| N | CA | C | O | 38.4° | 126.4° |
| N | CA | C | CB | 119.6° | 115.1° |
| N | CA | C | OA | 119.8° | 122.4° |
| N | CA | CB | OA | 119.4° | 118.8° |
| N | CA | OA | H3 | 180.0° | 61.5° |
| N | CA | CB | H4 | 141.9° | 95.1° |
| N | CA | CB | H5 | 96.4° | 142.8° |
| CA | N | CD | H8 | 133.5° | 79.3° |
| CA | N | CD | H9 | 105.4° | 158.3° |
| N | CA | C | OXT | 7.5° | 53.5° |
| CG | CB | CA | C | 145.0° | 142.6° |
| CG | CB | CA | H4 | 119.1° | 118.9° |
| CG | CB | CA | H5 | 119.2° | 119.0° |
| CG | CB | CA | OA | 96.6° | 95.0° |
| CG | CB | H4 | H5 | 122.4° | 122.2° |
| CB | CG | H6 | H7 | 122.4° | 122.1° |
| CB | CG | CD | H8 | 147.4° | 94.9° |
| CB | CG | CD | H9 | 91.5° | 142.6° |
| O | C | CA | OXT | 30.9° | 179.9° |
| O | C | CA | CB | 81.2° | 118.4° |
| O | C | CA | OA | 158.2° | 4.1° |
| O | C | OXT | HXT | 90.0° | 0.1° |
| C | CA | CB | OA | 118.4° | 122.4° |
| C | CA | N | H | 8.1° | 38.6° |
| C | CA | OA | H3 | 59.1° | 60.9° |
| C | CA | CB | H4 | 95.8° | 23.7° |
| C | CA | CB | H5 | 25.9° | 98.4° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| CB | CA | N | H | 114.3° | 80.1° |
| CB | CA | OA | H3 | 62.3° | 176.6° |
| CA | CB | H4 | H5 | 122.5° | 122.1° |
| CA | CB | CG | H6 | 88.3° | 118.9° |
| CA | CB | CG | H7 | 150.1° | 119.0° |
| CB | CA | C | OXT | 112.1° | 61.6° |
| OA | CA | N | H | 125.9° | 161.0° |
| OA | CA | CB | H4 | 22.5° | 146.1° |
| OA | CA | CB | H5 | 144.2° | 24.0° |
| OA | CA | C | OXT | 127.3° | 175.9° |
| H | N | CD | H8 | 106.6° | 161.1° |
| H | N | CD | H9 | 14.5° | 38.7° |
| H4 | CB | CG | H6 | 30.9° | 0.0° |
| H4 | CB | CG | H7 | 90.8° | 122.0° |
| H5 | CB | CG | H6 | 152.6° | 122.2° |
| H5 | CB | CG | H7 | 30.9° | 0.1° |
| H6 | CG | CD | H8 | 28.2° | 146.2° |
| H6 | CG | CD | H9 | 149.3° | 23.7° |
| H7 | CG | CD | H8 | 93.4° | 24.1° |
| H7 | CG | CD | H9 | 27.6° | 98.4° |
