PDW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CM | OXT | sing | 1.45Å | 1.40Å | |
| O | C | doub | 1.21Å | 1.25Å | |
| CG | CB | sing | 1.54Å | 1.48Å | |
| CG | CD | sing | 1.54Å | 1.49Å | |
| CB | CA | sing | 1.54Å | 1.47Å | |
| CD | N | sing | 1.49Å | 1.44Å | |
| OXT | C | sing | 1.34Å | 1.42Å | |
| C | CA | sing | 1.51Å | 1.48Å | |
| CA | N | sing | 1.49Å | 1.46Å | |
| CM | HM1 | sing | 1.09Å | 1.10Å | |
| CM | HM2 | sing | 1.09Å | 1.10Å | |
| CM | HM3 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CM | OXT | C | 119.0° | 117.1° |
| OXT | CM | HM1 | 109.5° | 109.5° |
| OXT | CM | HM2 | 109.5° | 109.5° |
| OXT | CM | HM3 | 109.4° | 109.5° |
| O | C | OXT | 116.8° | 119.9° |
| O | C | CA | 118.1° | 120.0° |
| CB | CG | CD | 101.8° | 105.1° |
| CG | CB | CA | 106.0° | 105.0° |
| CB | CG | HG2 | 111.4° | 110.3° |
| CB | CG | HG3 | 111.4° | 110.3° |
| CG | CB | HB2 | 110.3° | 110.3° |
| CG | CB | HB3 | 110.4° | 110.3° |
| CG | CD | N | 103.5° | 104.6° |
| CD | CG | HG2 | 111.3° | 110.4° |
| CD | CG | HG3 | 111.3° | 110.3° |
| CG | CD | HD2 | 111.0° | 110.3° |
| CG | CD | HD3 | 110.9° | 110.4° |
| CB | CA | C | 103.8° | 110.4° |
| CB | CA | N | 105.9° | 104.6° |
| CA | CB | HB2 | 110.4° | 110.4° |
| CA | CB | HB3 | 110.3° | 110.4° |
| CB | CA | HA | 110.5° | 110.4° |
| CD | N | CA | 107.4° | 104.2° |
| N | CD | HD2 | 110.9° | 110.4° |
| N | CD | HD3 | 111.0° | 110.4° |
| CD | N | H | 110.0° | 111.0° |
| OXT | C | CA | 117.2° | 120.0° |
| C | CA | N | 115.2° | 110.4° |
| C | CA | HA | 110.4° | 110.3° |
| N | CA | HA | 110.7° | 110.6° |
| CA | N | H | 110.0° | 111.0° |
| HM1 | CM | HM2 | 109.5° | 109.4° |
| HM1 | CM | HM3 | 109.5° | 109.4° |
| HM2 | CM | HM3 | 109.5° | 109.5° |
| HG2 | CG | HG3 | 109.5° | 110.4° |
| HB2 | CB | HB3 | 109.5° | 110.4° |
| HD2 | CD | HD3 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CM | OXT | C | O | 19.8° | 0.0° |
| CM | OXT | C | CA | 128.8° | 180.0° |
| OXT | CM | HM1 | HM2 | 120.0° | 120.1° |
| OXT | CM | HM1 | HM3 | 120.0° | 120.0° |
| OXT | CM | HM2 | HM3 | 120.0° | 120.0° |
| O | C | CA | CB | 12.6° | 100.0° |
| O | C | OXT | CA | 148.6° | 180.0° |
| O | C | CA | N | 102.7° | 15.2° |
| O | C | CA | HA | 131.0° | 137.7° |
| CB | CG | CD | HG2 | 118.8° | 118.9° |
| CB | CG | CD | HG3 | 118.8° | 118.9° |
| CG | CB | CA | HB2 | 119.4° | 118.9° |
| CG | CB | CA | HB3 | 119.5° | 118.8° |
| CB | CG | CD | N | 39.4° | 23.8° |
| CG | CB | CA | C | 108.1° | 142.7° |
| CG | CB | CA | N | 13.6° | 23.9° |
| CB | CG | HG2 | HG3 | 123.6° | 122.2° |
| CG | CB | HB2 | HB3 | 121.6° | 122.1° |
| CB | CG | CD | HD2 | 79.7° | 94.9° |
| CB | CG | CD | HD3 | 158.4° | 142.6° |
| CG | CB | CA | HA | 133.5° | 95.1° |
| CD | CG | CB | CA | 32.4° | 0.0° |
| CG | CD | N | HD2 | 119.0° | 118.7° |
| CG | CD | N | HD3 | 119.0° | 118.8° |
| CG | CD | N | CA | 32.1° | 39.4° |
| CD | CG | HG2 | HG3 | 123.5° | 122.1° |
| CD | CG | CB | HB2 | 151.9° | 118.9° |
| CD | CG | CB | HB3 | 87.0° | 118.9° |
| CG | CD | HD2 | HD3 | 122.8° | 122.4° |
| CG | CD | N | H | 151.8° | 159.0° |
| CB | CA | N | CD | 11.7° | 39.5° |
| CB | CA | C | OXT | 135.6° | 80.0° |
| CB | CA | C | N | 115.3° | 115.2° |
| CB | CA | C | HA | 118.5° | 122.3° |
| CB | CA | N | HA | 119.8° | 118.9° |
| CA | CB | CG | HG2 | 151.2° | 118.9° |
| CA | CB | CG | HG3 | 86.3° | 118.9° |
| CA | CB | HB2 | HB3 | 121.6° | 122.3° |
| CB | CA | N | H | 131.4° | 159.0° |
| CD | N | CA | C | 125.8° | 158.2° |
| CD | N | CA | H | 119.7° | 119.6° |
| N | CD | CG | HG2 | 158.1° | 142.7° |
| N | CD | CG | HG3 | 79.4° | 95.1° |
| N | CD | HD2 | HD3 | 122.8° | 122.4° |
| CD | N | CA | HA | 108.1° | 79.4° |
| OXT | C | CA | N | 109.2° | 164.8° |
| C | OXT | CM | HM1 | 180.0° | 59.9° |
| C | OXT | CM | HM2 | 60.0° | 180.0° |
| C | OXT | CM | HM3 | 60.0° | 60.0° |
| OXT | C | CA | HA | 17.1° | 42.3° |
| C | CA | N | HA | 126.1° | 122.4° |
| C | CA | CB | HB2 | 11.3° | 23.8° |
| C | CA | CB | HB3 | 132.4° | 98.5° |
| C | CA | N | H | 114.5° | 82.2° |
| N | CA | CB | HB2 | 133.0° | 95.0° |
| N | CA | CB | HB3 | 105.9° | 142.7° |
| CA | N | CD | HD2 | 86.9° | 79.3° |
| CA | N | CD | HD3 | 151.1° | 158.3° |
| HM1 | CM | HM2 | HM3 | 120.0° | 119.9° |
| HG2 | CG | CB | HB2 | 89.4° | 122.2° |
| HG2 | CG | CB | HB3 | 31.7° | 0.0° |
| HG2 | CG | CD | HD2 | 39.1° | 24.0° |
| HG2 | CG | CD | HD3 | 82.8° | 98.4° |
| HG3 | CG | CB | HB2 | 33.1° | 0.0° |
| HG3 | CG | CB | HB3 | 154.2° | 122.2° |
| HG3 | CG | CD | HD2 | 161.6° | 146.2° |
| HG3 | CG | CD | HD3 | 39.6° | 23.8° |
| HB2 | CB | CA | HA | 107.0° | 146.0° |
| HB3 | CB | CA | HA | 14.1° | 23.7° |
| HD2 | CD | N | H | 32.7° | 40.3° |
| HD3 | CD | N | H | 89.2° | 82.2° |
| HA | CA | N | H | 11.6° | 40.2° |
