QPA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C | sing | 1.34Å | 1.33Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| O13 | P2 | doub | 1.48Å | 1.68Å | |
| O12 | P2 | sing | 1.61Å | 1.55Å | |
| P2 | O11 | sing | 1.61Å | 1.66Å | |
| P2 | O14 | sing | 1.61Å | 1.73Å | |
| C10 | C8 | sing | 1.51Å | 1.53Å | |
| O14 | C8 | sing | 1.43Å | 1.46Å | |
| C9 | C8 | sing | 1.53Å | 1.57Å | |
| C8 | SG | sing | 1.81Å | 1.83Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| O9 | C10 | doub | 1.21Å | 1.37Å | |
| CA | CB | sing | 1.53Å | 1.55Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| SG | CB | sing | 1.81Å | 1.81Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| O10 | C10 | sing | 1.34Å | 1.34Å | |
| O10 | HO10 | sing | 0.97Å | 0.95Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å | |
| O12 | HO12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OXT | C | CA | 118.5° | 120.0° |
| OXT | C | O | 122.8° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| CA | C | O | 118.7° | 120.0° |
| C | CA | N | 105.7° | 109.5° |
| C | CA | CB | 111.6° | 109.4° |
| C | CA | HA | 112.0° | 109.4° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | N | H | 109.5° | 111.0° |
| N | CA | CB | 113.4° | 109.5° |
| N | CA | HA | 110.1° | 109.5° |
| H2 | N | H | 109.5° | 111.0° |
| O13 | P2 | O12 | 109.2° | 109.5° |
| O13 | P2 | O11 | 110.6° | 109.5° |
| O13 | P2 | O14 | 111.0° | 109.5° |
| O12 | P2 | O11 | 107.9° | 109.5° |
| O12 | P2 | O14 | 105.2° | 109.5° |
| P2 | O12 | HO12 | 109.5° | 114.0° |
| O11 | P2 | O14 | 112.7° | 109.4° |
| P2 | O11 | HO11 | 109.5° | 114.0° |
| P2 | O14 | C8 | 121.2° | 123.0° |
| C10 | C8 | O14 | 105.7° | 109.5° |
| C10 | C8 | C9 | 109.6° | 109.5° |
| C10 | C8 | SG | 105.9° | 109.5° |
| C8 | C10 | O9 | 120.0° | 120.0° |
| C8 | C10 | O10 | 121.0° | 120.0° |
| O14 | C8 | C9 | 115.2° | 109.5° |
| O14 | C8 | SG | 106.2° | 109.5° |
| C9 | C8 | SG | 113.5° | 109.5° |
| C8 | C9 | H9 | 109.5° | 109.5° |
| C8 | C9 | H9A | 109.5° | 109.5° |
| C8 | C9 | H9B | 109.4° | 109.5° |
| C8 | SG | CB | 109.6° | 103.0° |
| H9 | C9 | H9A | 109.5° | 109.4° |
| H9 | C9 | H9B | 109.5° | 109.5° |
| H9A | C9 | H9B | 109.5° | 109.5° |
| O9 | C10 | O10 | 119.0° | 120.0° |
| CB | CA | HA | 104.1° | 109.5° |
| CA | CB | SG | 114.3° | 109.5° |
| CA | CB | HB | 107.9° | 109.5° |
| CA | CB | HBA | 107.9° | 109.5° |
| SG | CB | HB | 107.9° | 109.5° |
| SG | CB | HBA | 107.9° | 109.5° |
| HB | CB | HBA | 111.0° | 109.5° |
| C10 | O10 | HO10 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | CA | O | 179.7° | 179.8° |
| OXT | C | CA | N | 134.8° | 160.2° |
| OXT | C | CA | CB | 101.4° | 79.8° |
| OXT | C | CA | HA | 14.9° | 40.2° |
| C | CA | N | CB | 122.6° | 120.0° |
| C | CA | N | HA | 121.2° | 120.0° |
| C | CA | N | H2 | 180.0° | 63.9° |
| C | CA | N | H | 60.0° | 60.1° |
| CA | C | OXT | HXT | 179.6° | 179.7° |
| C | CA | CB | HA | 121.0° | 120.0° |
| C | CA | CB | SG | 47.4° | 180.0° |
| C | CA | CB | HB | 167.4° | 60.0° |
| C | CA | CB | HBA | 72.6° | 60.0° |
| O | C | CA | N | 44.8° | 20.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| O | C | CA | CB | 78.9° | 100.0° |
| O | C | CA | HA | 164.8° | 140.0° |
| CA | N | H2 | H | 120.0° | 124.0° |
| N | CA | CB | HA | 119.7° | 120.0° |
| N | CA | CB | SG | 166.7° | 60.0° |
| N | CA | CB | HB | 73.3° | 60.0° |
| N | CA | CB | HBA | 46.7° | 180.0° |
| H2 | N | CA | CB | 57.4° | 176.1° |
| H2 | N | CA | HA | 58.8° | 56.0° |
| H | N | CA | CB | 177.4° | 59.9° |
| H | N | CA | HA | 61.2° | 180.0° |
| O13 | P2 | O12 | O11 | 120.2° | 120.0° |
| O13 | P2 | O12 | O14 | 119.3° | 120.0° |
| O13 | P2 | O11 | O14 | 124.9° | 120.0° |
| O13 | P2 | O14 | C8 | 28.1° | 55.0° |
| O13 | P2 | O11 | HO11 | 0.0° | 180.0° |
| O13 | P2 | O12 | HO12 | 0.0° | 60.0° |
| O12 | P2 | O11 | O14 | 115.7° | 120.0° |
| O12 | P2 | O14 | C8 | 146.2° | 175.0° |
| O12 | P2 | O11 | HO11 | 119.4° | 59.9° |
| O11 | P2 | O14 | C8 | 96.5° | 65.0° |
| O11 | P2 | O12 | HO12 | 120.2° | 60.1° |
| P2 | O14 | C8 | C10 | 74.1° | 60.0° |
| P2 | O14 | C8 | C9 | 47.2° | 60.0° |
| P2 | O14 | C8 | SG | 173.7° | 180.0° |
| O14 | P2 | O11 | HO11 | 124.9° | 60.0° |
| O14 | P2 | O12 | HO12 | 119.3° | 180.0° |
| C10 | C8 | O14 | C9 | 121.3° | 120.0° |
| C10 | C8 | O14 | SG | 112.2° | 120.0° |
| C10 | C8 | C9 | SG | 118.2° | 120.0° |
| C10 | C8 | C9 | H9 | 180.0° | 60.0° |
| C10 | C8 | C9 | H9A | 60.0° | 60.0° |
| C10 | C8 | C9 | H9B | 60.0° | 180.0° |
| C8 | C10 | O9 | O10 | 178.8° | 180.0° |
| C10 | C8 | SG | CB | 58.1° | 175.0° |
| C8 | C10 | O10 | HO10 | 178.8° | 179.9° |
| O14 | C8 | C9 | SG | 122.7° | 120.0° |
| O14 | C8 | C9 | H9 | 60.9° | 180.0° |
| O14 | C8 | C9 | H9A | 179.1° | 60.1° |
| O14 | C8 | C9 | H9B | 59.1° | 60.0° |
| O14 | C8 | C10 | O9 | 2.6° | 0.0° |
| O14 | C8 | SG | CB | 53.9° | 55.0° |
| O14 | C8 | C10 | O10 | 178.5° | 180.0° |
| C8 | C9 | H9 | H9A | 120.0° | 120.0° |
| C8 | C9 | H9 | H9B | 120.0° | 120.1° |
| C8 | C9 | H9A | H9B | 119.9° | 120.1° |
| C9 | C8 | C10 | O9 | 127.4° | 120.0° |
| C9 | C8 | SG | CB | 178.5° | 65.0° |
| C9 | C8 | C10 | O10 | 53.7° | 60.0° |
| SG | C8 | C9 | H9 | 61.8° | 60.0° |
| SG | C8 | C9 | H9A | 58.2° | 180.0° |
| SG | C8 | C9 | H9B | 178.2° | 60.0° |
| SG | C8 | C10 | O9 | 109.8° | 120.0° |
| C8 | SG | CB | CA | 86.0° | 180.0° |
| C8 | SG | CB | HB | 34.0° | 60.0° |
| C8 | SG | CB | HBA | 154.0° | 60.0° |
| SG | C8 | C10 | O10 | 69.1° | 60.0° |
| H9 | C9 | H9A | H9B | 120.0° | 119.9° |
| O9 | C10 | O10 | HO10 | 0.0° | 0.0° |
| CA | CB | SG | HB | 120.0° | 120.0° |
| CA | CB | SG | HBA | 120.0° | 120.0° |
| CA | CB | HB | HBA | 118.0° | 120.0° |
| HA | CA | CB | SG | 73.6° | 60.0° |
| HA | CA | CB | HB | 46.4° | 179.9° |
| HA | CA | CB | HBA | 166.4° | 60.0° |
| SG | CB | HB | HBA | 118.0° | 120.0° |
