PLJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CM | OXT | sing | 1.45Å | 1.47Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| CG | CB | sing | 1.55Å | 1.54Å | |
| CG | CD | sing | 1.55Å | 1.53Å | |
| CB | CA | sing | 1.54Å | 1.56Å | |
| CD | N | sing | 1.48Å | 1.48Å | |
| OXT | C | sing | 1.34Å | 1.32Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| CA | N | sing | 1.48Å | 1.47Å | |
| 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 | 113.9° | 117.0° |
| OXT | CM | HM1 | 109.5° | 109.5° |
| OXT | CM | HM2 | 109.4° | 109.5° |
| OXT | CM | HM3 | 109.5° | 109.5° |
| O | C | OXT | 118.7° | 120.0° |
| O | C | CA | 123.7° | 120.0° |
| CB | CG | CD | 100.7° | 102.9° |
| CG | CB | CA | 105.7° | 105.1° |
| CB | CG | HG2 | 111.6° | 110.7° |
| CB | CG | HG3 | 111.6° | 110.7° |
| CG | CB | HB2 | 110.4° | 110.3° |
| CG | CB | HB3 | 110.4° | 110.3° |
| CG | CD | N | 104.8° | 103.2° |
| CD | CG | HG2 | 111.6° | 110.7° |
| CD | CG | HG3 | 111.6° | 110.8° |
| CG | CD | HD2 | 110.6° | 110.7° |
| CG | CD | HD3 | 110.6° | 110.6° |
| CB | CA | C | 116.3° | 109.9° |
| CB | CA | N | 103.5° | 107.0° |
| CA | CB | HB2 | 110.4° | 110.3° |
| CA | CB | HB3 | 110.4° | 110.4° |
| CB | CA | HA | 107.4° | 109.9° |
| CD | N | CA | 110.8° | 105.9° |
| N | CD | HD2 | 110.6° | 110.7° |
| N | CD | HD3 | 110.6° | 110.7° |
| CD | N | H | 109.1° | 111.0° |
| OXT | C | CA | 117.5° | 120.0° |
| C | CA | N | 112.9° | 109.9° |
| C | CA | HA | 107.9° | 109.9° |
| N | CA | HA | 108.5° | 110.1° |
| CA | N | H | 109.1° | 111.0° |
| HM1 | CM | HM2 | 109.5° | 109.5° |
| HM1 | CM | HM3 | 109.5° | 109.5° |
| HM2 | CM | HM3 | 109.5° | 109.4° |
| HG2 | CG | HG3 | 109.5° | 110.8° |
| HB2 | CB | HB3 | 109.5° | 110.3° |
| HD2 | CD | HD3 | 109.4° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CM | OXT | C | O | 165.9° | 0.0° |
| CM | OXT | C | CA | 17.5° | 179.9° |
| OXT | CM | HM1 | HM2 | 120.0° | 120.0° |
| OXT | CM | HM1 | HM3 | 120.0° | 120.0° |
| OXT | CM | HM2 | HM3 | 120.0° | 120.0° |
| O | C | CA | CB | 107.8° | 100.0° |
| O | C | OXT | CA | 176.6° | 180.0° |
| O | C | CA | N | 132.8° | 17.5° |
| O | C | CA | HA | 12.9° | 138.9° |
| CB | CG | CD | HG2 | 118.6° | 118.3° |
| CB | CG | CD | HG3 | 118.6° | 118.3° |
| CG | CB | CA | HB2 | 119.4° | 118.9° |
| CG | CB | CA | HB3 | 119.4° | 118.9° |
| CB | CG | CD | N | 36.1° | 37.4° |
| CG | CB | CA | C | 101.8° | 120.6° |
| CG | CB | CA | N | 22.7° | 1.3° |
| CB | CG | HG2 | HG3 | 124.1° | 123.2° |
| CG | CB | HB2 | HB3 | 121.8° | 122.1° |
| CB | CG | CD | HD2 | 155.4° | 155.9° |
| CB | CG | CD | HD3 | 83.1° | 81.1° |
| CG | CB | CA | HA | 137.3° | 118.3° |
| CD | CG | CB | CA | 36.2° | 21.9° |
| CG | CD | N | HD2 | 119.3° | 118.4° |
| CG | CD | N | HD3 | 119.3° | 118.4° |
| CG | CD | N | CA | 23.8° | 39.2° |
| CD | CG | HG2 | HG3 | 124.1° | 123.3° |
| CD | CG | CB | HB2 | 83.2° | 97.0° |
| CD | CG | CB | HB3 | 155.6° | 140.9° |
| CG | CD | HD2 | HD3 | 122.2° | 123.0° |
| CG | CD | N | H | 96.4° | 81.3° |
| CB | CA | N | CD | 0.6° | 25.4° |
| CB | CA | C | OXT | 75.7° | 80.0° |
| CB | CA | C | N | 119.4° | 117.6° |
| CB | CA | C | HA | 120.7° | 121.1° |
| CB | CA | N | HA | 113.9° | 119.4° |
| CA | CB | CG | HG2 | 82.4° | 96.4° |
| CA | CB | CG | HG3 | 154.8° | 140.3° |
| CA | CB | HB2 | HB3 | 121.8° | 122.2° |
| CB | CA | N | H | 119.6° | 95.2° |
| CD | N | CA | C | 127.2° | 144.7° |
| CD | N | CA | H | 120.2° | 120.6° |
| N | CD | CG | HG2 | 82.4° | 81.0° |
| N | CD | CG | HG3 | 154.7° | 155.7° |
| N | CD | HD2 | HD3 | 122.1° | 123.2° |
| CD | N | CA | HA | 113.3° | 94.1° |
| OXT | C | CA | N | 43.7° | 162.5° |
| C | OXT | CM | HM1 | 180.0° | 60.0° |
| C | OXT | CM | HM2 | 60.0° | 180.0° |
| C | OXT | CM | HM3 | 60.0° | 60.0° |
| OXT | C | CA | HA | 163.5° | 41.1° |
| C | CA | N | HA | 119.5° | 121.3° |
| C | CA | CB | HB2 | 138.9° | 120.5° |
| C | CA | CB | HB3 | 17.6° | 1.7° |
| C | CA | N | H | 7.0° | 24.1° |
| N | CA | CB | HB2 | 96.7° | 120.1° |
| N | CA | CB | HB3 | 142.0° | 117.7° |
| CA | N | CD | HD2 | 143.0° | 157.7° |
| CA | N | CD | HD3 | 95.5° | 79.2° |
| HM1 | CM | HM2 | HM3 | 120.0° | 120.0° |
| HG2 | CG | CB | HB2 | 158.2° | 144.6° |
| HG2 | CG | CB | HB3 | 37.0° | 22.5° |
| HG2 | CG | CD | HD2 | 36.8° | 37.5° |
| HG2 | CG | CD | HD3 | 158.3° | 160.6° |
| HG3 | CG | CB | HB2 | 35.4° | 21.4° |
| HG3 | CG | CB | HB3 | 85.8° | 100.7° |
| HG3 | CG | CD | HD2 | 86.0° | 85.8° |
| HG3 | CG | CD | HD3 | 35.4° | 37.2° |
| HB2 | CB | CA | HA | 17.9° | 0.5° |
| HB3 | CB | CA | HA | 103.3° | 122.7° |
| HD2 | CD | N | H | 22.9° | 37.1° |
| HD3 | CD | N | H | 144.3° | 160.2° |
| HA | CA | N | H | 126.5° | 145.3° |
