PMX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.22Å | |
| C | CA | sing | 1.51Å | 1.50Å | |
| C | OXT | sing | 1.34Å | 1.37Å | |
| N | CA | sing | 1.46Å | 1.45Å | |
| N | CAF | sing | 1.35Å | 1.44Å | |
| CL | CAS | sing | 1.74Å | 1.50Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CB | CG | sing | 1.51Å | 1.52Å | |
| CG | CD1 | doub | 1.38Å | 1.44Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.52Å | Aromatic |
| OAA | CAF | doub | 1.21Å | 1.22Å | |
| CAC | CAK | sing | 1.39Å | 1.49Å | Aromatic |
| CAC | CD2 | doub | 1.38Å | 1.46Å | Aromatic |
| CAD | CAE | doub | 1.34Å | 1.25Å | |
| CAD | CAN | sing | 1.47Å | 1.50Å | |
| CAE | CAF | sing | 1.48Å | 1.39Å | |
| CAK | OAL | sing | 1.36Å | 1.39Å | |
| CAK | CAS | doub | 1.39Å | 1.47Å | Aromatic |
| OAM | CAN | doub | 1.21Å | 1.26Å | |
| CAN | OAU | sing | 1.35Å | 1.27Å | |
| CAS | CD1 | sing | 1.38Å | 1.50Å | Aromatic |
| OAU | CAV | sing | 1.45Å | 1.39Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| OAL | HOAL | sing | 0.97Å | 0.95Å | |
| CAV | HAV | sing | 1.09Å | 1.10Å | |
| CAV | HAVA | sing | 1.09Å | 1.10Å | |
| CAV | HAVB | sing | 1.09Å | 1.10Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| OXT | HOXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 121.6° | 120.0° |
| O | C | OXT | 118.6° | 120.0° |
| CA | C | OXT | 119.7° | 120.0° |
| C | CA | N | 113.7° | 109.5° |
| C | CA | CB | 113.7° | 109.5° |
| C | CA | HA | 104.5° | 109.5° |
| C | OXT | HOXT | 109.5° | 117.0° |
| CA | N | CAF | 122.6° | 120.0° |
| N | CA | CB | 112.8° | 109.5° |
| CA | N | HN | 118.7° | 120.0° |
| N | CA | HA | 105.6° | 109.4° |
| N | CAF | OAA | 120.3° | 120.0° |
| N | CAF | CAE | 119.6° | 120.0° |
| CAF | N | HN | 118.7° | 120.0° |
| CL | CAS | CAK | 120.3° | 120.0° |
| CL | CAS | CD1 | 120.2° | 120.1° |
| CA | CB | CG | 117.6° | 109.5° |
| CB | CA | HA | 105.6° | 109.5° |
| CA | CB | HB | 106.9° | 109.4° |
| CA | CB | HBA | 106.9° | 109.5° |
| CB | CG | CD1 | 118.2° | 120.0° |
| CB | CG | CD2 | 121.6° | 119.9° |
| CG | CB | HB | 106.9° | 109.5° |
| CG | CB | HBA | 106.8° | 109.5° |
| CD1 | CG | CD2 | 120.2° | 120.1° |
| CG | CD1 | CAS | 120.4° | 120.1° |
| CG | CD1 | HD1 | 119.8° | 119.9° |
| CG | CD2 | CAC | 119.6° | 120.1° |
| CG | CD2 | HD2 | 120.2° | 120.0° |
| OAA | CAF | CAE | 120.1° | 120.0° |
| CAK | CAC | CD2 | 119.7° | 120.0° |
| CAC | CAK | OAL | 120.2° | 120.1° |
| CAC | CAK | CAS | 120.6° | 119.9° |
| CAK | CAC | HAC | 120.2° | 120.0° |
| CD2 | CAC | HAC | 120.2° | 120.0° |
| CAC | CD2 | HD2 | 120.2° | 119.9° |
| CAE | CAD | CAN | 118.9° | 120.0° |
| CAD | CAE | CAF | 118.1° | 120.0° |
| CAE | CAD | HAD | 120.6° | 120.0° |
| CAD | CAE | HAE | 121.0° | 120.0° |
| CAD | CAN | OAM | 119.7° | 120.1° |
| CAD | CAN | OAU | 119.0° | 120.0° |
| CAN | CAD | HAD | 120.5° | 120.1° |
| CAF | CAE | HAE | 121.0° | 120.0° |
| OAL | CAK | CAS | 119.2° | 120.1° |
| CAK | OAL | HOAL | 109.5° | 114.0° |
| CAK | CAS | CD1 | 119.5° | 119.9° |
| OAM | CAN | OAU | 121.2° | 119.9° |
| CAN | OAU | CAV | 120.8° | 117.1° |
| CAS | CD1 | HD1 | 119.8° | 120.0° |
| OAU | CAV | HAV | 109.5° | 109.5° |
| OAU | CAV | HAVA | 109.5° | 109.5° |
| OAU | CAV | HAVB | 109.5° | 109.4° |
| HB | CB | HBA | 112.0° | 109.5° |
| HAV | CAV | HAVA | 109.4° | 109.5° |
| HAV | CAV | HAVB | 109.5° | 109.4° |
| HAVA | CAV | HAVB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 176.7° | 179.6° |
| O | C | CA | N | 18.9° | 0.1° |
| O | C | CA | CB | 111.9° | 120.0° |
| O | C | CA | HA | 133.5° | 120.0° |
| O | C | OXT | HOXT | 0.0° | 0.1° |
| C | CA | N | CB | 131.3° | 120.1° |
| C | CA | N | HA | 113.9° | 120.0° |
| C | CA | N | CAF | 76.0° | 85.0° |
| C | CA | CB | HA | 113.9° | 120.0° |
| C | CA | CB | CG | 155.9° | 175.0° |
| C | CA | N | HN | 103.9° | 95.0° |
| C | CA | CB | HB | 84.0° | 65.0° |
| C | CA | CB | HBA | 36.0° | 55.0° |
| CA | C | OXT | HOXT | 176.8° | 179.7° |
| OXT | C | CA | N | 157.8° | 179.7° |
| OXT | C | CA | CB | 71.4° | 59.7° |
| OXT | C | CA | HA | 43.2° | 60.3° |
| CA | N | CAF | HN | 180.0° | 180.0° |
| N | CA | CB | HA | 114.8° | 120.0° |
| N | CA | CB | CG | 72.8° | 65.0° |
| CA | N | CAF | OAA | 9.2° | 0.0° |
| CA | N | CAF | CAE | 169.1° | 180.0° |
| N | CA | CB | HB | 47.2° | 55.0° |
| N | CA | CB | HBA | 167.2° | 175.0° |
| CAF | N | CA | CB | 152.7° | 155.0° |
| N | CAF | OAA | CAE | 178.3° | 180.0° |
| N | CAF | CAE | CAD | 172.2° | 180.0° |
| CAF | N | CA | HA | 37.9° | 35.0° |
| N | CAF | CAE | HAE | 7.8° | 0.0° |
| CL | CAS | CD1 | CG | 179.4° | 179.8° |
| CL | CAS | CAK | CAC | 179.6° | 180.0° |
| CL | CAS | CAK | OAL | 1.1° | 0.2° |
| CL | CAS | CAK | CD1 | 179.5° | 179.8° |
| CL | CAS | CD1 | HD1 | 0.6° | 0.2° |
| CA | CB | CG | HB | 120.0° | 119.9° |
| CA | CB | CG | HBA | 120.0° | 120.1° |
| CA | CB | CG | CD1 | 94.7° | 89.9° |
| CA | CB | CG | CD2 | 85.9° | 90.3° |
| CB | CA | N | HN | 27.3° | 25.1° |
| CA | CB | HB | HBA | 116.7° | 120.0° |
| CB | CG | CD1 | CD2 | 179.4° | 179.8° |
| CB | CG | CD2 | CAC | 179.5° | 180.0° |
| CB | CG | CD1 | CAS | 179.6° | 180.0° |
| CG | CB | CA | HA | 42.0° | 55.0° |
| CG | CB | HB | HBA | 116.6° | 120.0° |
| CB | CG | CD1 | HD1 | 0.4° | 0.0° |
| CB | CG | CD2 | HD2 | 0.5° | 0.1° |
| CD1 | CG | CD2 | CAC | 0.1° | 0.1° |
| CG | CD1 | CAS | CAK | 0.1° | 0.0° |
| CG | CD1 | CAS | HD1 | 180.0° | 180.0° |
| CD1 | CG | CB | HB | 145.3° | 30.0° |
| CD1 | CG | CB | HBA | 25.3° | 150.0° |
| CD1 | CG | CD2 | HD2 | 179.8° | 179.7° |
| CG | CD2 | CAC | CAK | 0.0° | 0.1° |
| CG | CD2 | CAC | HD2 | 180.0° | 179.9° |
| CD2 | CG | CD1 | CAS | 0.2° | 0.2° |
| CD2 | CG | CB | HB | 34.1° | 149.8° |
| CD2 | CG | CB | HBA | 154.1° | 29.8° |
| CG | CD2 | CAC | HAC | 180.0° | 179.7° |
| CD2 | CG | CD1 | HD1 | 179.8° | 179.8° |
| OAA | CAF | CAE | CAD | 6.2° | 0.0° |
| OAA | CAF | N | HN | 170.8° | 179.9° |
| OAA | CAF | CAE | HAE | 173.8° | 180.0° |
| CAK | CAC | CD2 | HAC | 180.0° | 179.6° |
| CAC | CAK | OAL | CAS | 179.3° | 179.8° |
| CAC | CAK | CAS | CD1 | 0.1° | 0.2° |
| CAC | CAK | OAL | HOAL | 180.0° | 90.1° |
| CAK | CAC | CD2 | HD2 | 180.0° | 180.0° |
| CD2 | CAC | CAK | OAL | 179.4° | 179.9° |
| CD2 | CAC | CAK | CAS | 0.1° | 0.3° |
| CAE | CAD | CAN | HAD | 180.0° | 180.0° |
| CAD | CAE | CAF | HAE | 180.0° | 179.9° |
| CAE | CAD | CAN | OAM | 4.7° | 0.0° |
| CAE | CAD | CAN | OAU | 171.1° | 180.0° |
| CAN | CAD | CAE | CAF | 178.1° | 180.0° |
| CAD | CAN | OAM | OAU | 175.6° | 180.0° |
| CAD | CAN | OAU | CAV | 168.6° | 180.0° |
| CAN | CAD | CAE | HAE | 1.9° | 0.1° |
| CAE | CAF | N | HN | 10.9° | 0.0° |
| CAF | CAE | CAD | HAD | 1.9° | 0.0° |
| OAL | CAK | CAS | CD1 | 179.4° | 180.0° |
| OAL | CAK | CAC | HAC | 0.5° | 0.3° |
| CAS | CAK | CAC | HAC | 179.9° | 179.9° |
| CAS | CAK | OAL | HOAL | 0.7° | 90.2° |
| CAK | CAS | CD1 | HD1 | 179.9° | 180.0° |
| OAM | CAN | OAU | CAV | 15.7° | 0.0° |
| OAM | CAN | CAD | HAD | 175.3° | 180.0° |
| OAU | CAN | CAD | HAD | 8.9° | 0.0° |
| CAN | OAU | CAV | HAV | 180.0° | 179.9° |
| CAN | OAU | CAV | HAVA | 60.0° | 60.0° |
| CAN | OAU | CAV | HAVB | 60.0° | 60.0° |
| OAU | CAV | HAV | HAVA | 120.0° | 120.0° |
| OAU | CAV | HAV | HAVB | 120.0° | 119.9° |
| OAU | CAV | HAVA | HAVB | 120.0° | 120.0° |
| HN | N | CA | HA | 142.2° | 145.1° |
| HA | CA | CB | HB | 162.0° | 175.0° |
| HA | CA | CB | HBA | 78.0° | 65.0° |
| HAC | CAC | CD2 | HD2 | 0.0° | 0.4° |
| HAD | CAD | CAE | HAE | 178.1° | 180.0° |
| HAV | CAV | HAVA | HAVB | 120.0° | 120.0° |
