PRQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.24Å | 1.24Å | |
| C | CAJ | sing | 1.55Å | 1.55Å | |
| C | OXT | sing | 1.28Å | 1.28Å | |
| CAJ | CA | sing | 1.53Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | CAK | sing | 1.53Å | 1.53Å | |
| CAK | CAH | sing | 1.39Å | 1.39Å | Aromatic |
| CAK | CAL | doub | 1.40Å | 1.40Å | Aromatic |
| CAH | CAF | doub | 1.39Å | 1.39Å | Aromatic |
| CAF | CAG | sing | 1.39Å | 1.39Å | Aromatic |
| CAG | CAI | doub | 1.39Å | 1.39Å | Aromatic |
| CAI | CAL | sing | 1.39Å | 1.39Å | Aromatic |
| CAL | NAN | sing | 1.33Å | 1.33Å | |
| NAN | OAD | sing | 1.36Å | 1.36Å | |
| NAN | OAC | doub | 1.35Å | 1.35Å | |
| CAJ | HAJ1 | sing | 1.10Å | 1.10Å | |
| CAJ | HAJ2 | sing | 1.10Å | 1.10Å | |
| OXT | HXT | sing | 0.95Å | 0.95Å | |
| CA | HA | sing | 1.10Å | 1.10Å | |
| N | H | sing | 1.00Å | 1.00Å | |
| N | H2 | sing | 1.00Å | 1.00Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CAJ | 120.2° | 120.2° |
| O | C | OXT | 116.2° | 116.2° |
| CAJ | C | OXT | 121.8° | 121.8° |
| C | CAJ | CA | 112.6° | 112.6° |
| C | CAJ | HAJ1 | 108.4° | 108.4° |
| C | CAJ | HAJ2 | 107.7° | 107.7° |
| C | OXT | HXT | 109.5° | 109.5° |
| CAJ | CA | N | 109.3° | 109.3° |
| CAJ | CA | CAK | 108.4° | 108.4° |
| CA | CAJ | HAJ1 | 108.4° | 108.4° |
| CA | CAJ | HAJ2 | 107.7° | 107.7° |
| CAJ | CA | HA | 110.6° | 110.6° |
| N | CA | CAK | 110.4° | 110.4° |
| N | CA | HA | 108.6° | 108.6° |
| CA | N | H | 109.5° | 109.5° |
| CA | N | H2 | 109.5° | 109.5° |
| CA | CAK | CAH | 120.2° | 120.2° |
| CA | CAK | CAL | 120.1° | 120.1° |
| CAK | CA | HA | 109.5° | 109.5° |
| CAH | CAK | CAL | 119.7° | 119.7° |
| CAK | CAH | CAF | 120.4° | 120.4° |
| CAK | CAH | HAH | 119.8° | 119.8° |
| CAK | CAL | CAI | 119.7° | 119.7° |
| CAK | CAL | NAN | 120.8° | 120.8° |
| CAH | CAF | CAG | 119.9° | 119.9° |
| CAF | CAH | HAH | 119.8° | 119.8° |
| CAH | CAF | HAF | 120.0° | 120.0° |
| CAF | CAG | CAI | 119.8° | 119.8° |
| CAG | CAF | HAF | 120.1° | 120.1° |
| CAF | CAG | HAG | 120.1° | 120.1° |
| CAG | CAI | CAL | 120.5° | 120.5° |
| CAI | CAG | HAG | 120.1° | 120.1° |
| CAG | CAI | HAI | 119.8° | 119.8° |
| CAI | CAL | NAN | 119.5° | 119.5° |
| CAL | CAI | HAI | 119.7° | 119.7° |
| CAL | NAN | OAD | 119.8° | 119.8° |
| CAL | NAN | OAC | 120.9° | 120.9° |
| OAD | NAN | OAC | 119.3° | 119.3° |
| HAJ1 | CAJ | HAJ2 | 112.0° | 112.0° |
| H | N | H2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CAJ | OXT | 164.1° | 164.1° |
| O | C | CAJ | CA | 8.2° | 8.2° |
| O | C | CAJ | HAJ1 | 111.7° | 111.7° |
| O | C | CAJ | HAJ2 | 126.9° | 126.9° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | CAJ | CA | HAJ1 | 120.0° | 120.0° |
| C | CAJ | CA | HAJ2 | 118.6° | 118.6° |
| C | CAJ | CA | N | 69.8° | 69.8° |
| C | CAJ | CA | CAK | 169.8° | 169.8° |
| C | CAJ | HAJ1 | HAJ2 | 118.7° | 118.7° |
| CAJ | C | OXT | HXT | 164.7° | 164.7° |
| C | CAJ | CA | HA | 49.7° | 49.7° |
| OXT | C | CAJ | CA | 172.3° | 172.3° |
| OXT | C | CAJ | HAJ1 | 52.3° | 52.3° |
| OXT | C | CAJ | HAJ2 | 69.0° | 69.0° |
| CAJ | CA | N | CAK | 119.2° | 119.2° |
| CAJ | CA | N | HA | 120.7° | 120.7° |
| CAJ | CA | CAK | HA | 120.7° | 120.7° |
| CAJ | CA | CAK | CAH | 93.9° | 93.9° |
| CAJ | CA | CAK | CAL | 85.9° | 85.9° |
| CA | CAJ | HAJ1 | HAJ2 | 118.7° | 118.7° |
| CAJ | CA | N | H | 49.8° | 49.8° |
| CAJ | CA | N | H2 | 70.2° | 70.2° |
| N | CA | CAK | HA | 119.5° | 119.5° |
| N | CA | CAK | CAH | 25.8° | 25.8° |
| N | CA | CAK | CAL | 154.4° | 154.4° |
| N | CA | CAJ | HAJ1 | 170.2° | 170.2° |
| N | CA | CAJ | HAJ2 | 48.9° | 48.9° |
| CA | N | H | H2 | 120.0° | 120.0° |
| CA | CAK | CAH | CAL | 179.8° | 179.8° |
| CA | CAK | CAH | CAF | 179.7° | 179.7° |
| CA | CAK | CAL | CAI | 179.8° | 179.8° |
| CA | CAK | CAL | NAN | 0.3° | 0.3° |
| CAK | CA | CAJ | HAJ1 | 49.8° | 49.8° |
| CAK | CA | CAJ | HAJ2 | 71.6° | 71.6° |
| CAK | CA | N | H | 69.4° | 69.4° |
| CAK | CA | N | H2 | 170.6° | 170.6° |
| CA | CAK | CAH | HAH | 0.2° | 0.2° |
| CAK | CAH | CAF | HAH | 180.0° | 180.0° |
| CAK | CAH | CAF | CAG | 0.1° | 0.1° |
| CAH | CAK | CAL | CAI | 0.0° | 0.0° |
| CAH | CAK | CAL | NAN | 179.5° | 179.5° |
| CAH | CAK | CA | HA | 145.4° | 145.4° |
| CAK | CAH | CAF | HAF | 179.9° | 179.9° |
| CAL | CAK | CAH | CAF | 0.0° | 0.0° |
| CAK | CAL | CAI | CAG | 0.0° | 0.0° |
| CAK | CAL | CAI | NAN | 179.5° | 179.5° |
| CAK | CAL | NAN | OAD | 87.3° | 87.3° |
| CAK | CAL | NAN | OAC | 92.2° | 92.2° |
| CAL | CAK | CA | HA | 34.9° | 34.9° |
| CAL | CAK | CAH | HAH | 180.0° | 180.0° |
| CAK | CAL | CAI | HAI | 179.9° | 179.9° |
| CAH | CAF | CAG | HAF | 180.0° | 180.0° |
| CAH | CAF | CAG | CAI | 0.1° | 0.1° |
| CAH | CAF | CAG | HAG | 179.9° | 179.9° |
| CAF | CAG | CAI | HAG | 180.0° | 180.0° |
| CAF | CAG | CAI | CAL | 0.1° | 0.1° |
| CAG | CAF | CAH | HAH | 179.9° | 179.9° |
| CAF | CAG | CAI | HAI | 179.9° | 179.9° |
| CAG | CAI | CAL | HAI | 180.0° | 180.0° |
| CAG | CAI | CAL | NAN | 179.5° | 179.5° |
| CAI | CAG | CAF | HAF | 179.9° | 179.9° |
| CAI | CAL | NAN | OAD | 92.2° | 92.2° |
| CAI | CAL | NAN | OAC | 88.4° | 88.4° |
| CAL | CAI | CAG | HAG | 179.9° | 179.9° |
| CAL | NAN | OAD | OAC | 179.5° | 179.5° |
| NAN | CAL | CAI | HAI | 0.5° | 0.5° |
| HAJ1 | CAJ | CA | HA | 70.2° | 70.2° |
| HAJ2 | CAJ | CA | HA | 168.4° | 168.4° |
| HA | CA | N | H | 170.5° | 170.5° |
| HA | CA | N | H2 | 50.5° | 50.5° |
| HAH | CAH | CAF | HAF | 0.1° | 0.1° |
| HAF | CAF | CAG | HAG | 0.1° | 0.1° |
| HAG | CAG | CAI | HAI | 0.1° | 0.1° |
