PFP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | OAS | sing | 1.43Å | 1.42Å | |
| CAB | HAB1 | sing | 1.09Å | 1.12Å | |
| CAB | HAB2 | sing | 1.09Å | 1.12Å | |
| CAB | HAB3 | sing | 1.09Å | 1.11Å | |
| OAS | CAV | sing | 1.36Å | 1.41Å | |
| CAV | CAG | doub | 1.39Å | 1.42Å | Aromatic |
| CAV | CAF | sing | 1.39Å | 1.40Å | Aromatic |
| CAG | CAK | sing | 1.38Å | 1.44Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.10Å | |
| CAK | CAX | doub | 1.40Å | 1.41Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.10Å | |
| CAF | CAJ | doub | 1.38Å | 1.42Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.10Å | |
| CAJ | CAX | sing | 1.39Å | 1.41Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.10Å | |
| CAX | CBA | sing | 1.48Å | 1.50Å | Aromatic |
| CBA | CBC | sing | 1.47Å | 1.33Å | Aromatic |
| CBA | CAZ | doub | 1.37Å | 1.39Å | Aromatic |
| CBC | CAY | doub | 1.40Å | 1.39Å | Aromatic |
| CBC | CBB | sing | 1.40Å | 1.36Å | Aromatic |
| CAY | NAQ | sing | 1.38Å | 1.32Å | |
| CAY | NAO | sing | 1.33Å | 1.34Å | Aromatic |
| NAQ | CAN | sing | 1.47Å | 1.49Å | |
| NAQ | HAQ | sing | 0.97Å | 1.02Å | |
| CAN | CAM | sing | 1.53Å | 1.58Å | |
| CAN | HAN1 | sing | 1.09Å | 1.11Å | |
| CAN | HAN2 | sing | 1.09Å | 1.12Å | |
| CAM | OAC | sing | 1.43Å | 1.49Å | |
| CAM | HAM1 | sing | 1.09Å | 1.11Å | |
| CAM | HAM2 | sing | 1.09Å | 1.11Å | |
| OAC | HAC | sing | 0.97Å | 0.95Å | |
| NAO | CAL | doub | 1.32Å | 1.33Å | Aromatic |
| CAL | NAP | sing | 1.32Å | 1.35Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.10Å | |
| NAP | CBB | doub | 1.33Å | 1.34Å | Aromatic |
| CBB | OAT | sing | 1.34Å | 1.28Å | Aromatic |
| OAT | CAZ | sing | 1.35Å | 1.29Å | Aromatic |
| CAZ | CAW | sing | 1.47Å | 1.37Å | Aromatic |
| CAW | CAH | doub | 1.40Å | 1.40Å | Aromatic |
| CAW | CAI | sing | 1.40Å | 1.38Å | Aromatic |
| CAH | CAD | sing | 1.38Å | 1.38Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.10Å | |
| CAD | CAU | doub | 1.39Å | 1.38Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.10Å | |
| CAU | OAR | sing | 1.36Å | 1.36Å | |
| CAU | CAE | sing | 1.39Å | 1.40Å | Aromatic |
| OAR | CAA | sing | 1.43Å | 1.47Å | |
| CAA | HAA1 | sing | 1.09Å | 1.11Å | |
| CAA | HAA2 | sing | 1.09Å | 1.12Å | |
| CAA | HAA3 | sing | 1.09Å | 1.12Å | |
| CAE | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.10Å | |
| CAI | HAI | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAS | CAB | HAB1 | 109.9° | 109.4° |
| OAS | CAB | HAB2 | 112.0° | 109.4° |
| OAS | CAB | HAB3 | 112.0° | 109.5° |
| CAB | OAS | CAV | 109.9° | 106.8° |
| HAB1 | CAB | HAB2 | 112.0° | 109.5° |
| HAB1 | CAB | HAB3 | 112.1° | 109.5° |
| HAB2 | CAB | HAB3 | 98.4° | 109.5° |
| OAS | CAV | CAG | 120.3° | 119.9° |
| OAS | CAV | CAF | 119.7° | 119.9° |
| CAG | CAV | CAF | 119.8° | 120.1° |
| CAV | CAG | CAK | 119.8° | 120.1° |
| CAV | CAG | HAG | 120.1° | 119.9° |
| CAV | CAF | CAJ | 120.4° | 120.1° |
| CAV | CAF | HAF | 119.8° | 119.9° |
| CAK | CAG | HAG | 120.1° | 120.0° |
| CAG | CAK | CAX | 119.8° | 119.9° |
| CAG | CAK | HAK | 120.1° | 120.0° |
| CAX | CAK | HAK | 120.1° | 120.0° |
| CAK | CAX | CAJ | 119.6° | 119.8° |
| CAK | CAX | CBA | 120.6° | 120.1° |
| CAJ | CAF | HAF | 119.8° | 120.0° |
| CAF | CAJ | CAX | 120.6° | 120.0° |
| CAF | CAJ | HAJ | 119.7° | 120.0° |
| CAX | CAJ | HAJ | 119.7° | 120.0° |
| CAJ | CAX | CBA | 119.5° | 120.1° |
| CAX | CBA | CBC | 126.3° | 127.2° |
| CAX | CBA | CAZ | 127.2° | 127.2° |
| CBC | CBA | CAZ | 105.5° | 105.6° |
| CBA | CBC | CAY | 133.4° | 135.3° |
| CBA | CBC | CBB | 107.1° | 105.9° |
| CBA | CAZ | OAT | 107.9° | 109.6° |
| CBA | CAZ | CAW | 127.3° | 125.2° |
| CAY | CBC | CBB | 119.2° | 118.9° |
| CBC | CAY | NAQ | 120.8° | 120.8° |
| CBC | CAY | NAO | 119.5° | 118.4° |
| CBC | CBB | NAP | 119.7° | 118.4° |
| CBC | CBB | OAT | 108.9° | 107.7° |
| NAQ | CAY | NAO | 119.7° | 120.8° |
| CAY | NAQ | CAN | 119.8° | 120.0° |
| CAY | NAQ | HAQ | 120.1° | 120.0° |
| CAY | NAO | CAL | 120.4° | 120.8° |
| CAN | NAQ | HAQ | 120.1° | 120.0° |
| NAQ | CAN | CAM | 120.2° | 109.5° |
| NAQ | CAN | HAN1 | 108.4° | 109.4° |
| NAQ | CAN | HAN2 | 108.4° | 109.4° |
| CAM | CAN | HAN1 | 108.4° | 109.5° |
| CAM | CAN | HAN2 | 108.4° | 109.5° |
| CAN | CAM | OAC | 120.2° | 109.5° |
| CAN | CAM | HAM1 | 108.4° | 109.5° |
| CAN | CAM | HAM2 | 108.4° | 109.4° |
| HAN1 | CAN | HAN2 | 101.6° | 109.5° |
| OAC | CAM | HAM1 | 108.3° | 109.5° |
| OAC | CAM | HAM2 | 108.4° | 109.4° |
| CAM | OAC | HAC | 120.2° | 106.8° |
| HAM1 | CAM | HAM2 | 101.6° | 109.5° |
| NAO | CAL | NAP | 120.7° | 122.8° |
| NAO | CAL | HAL | 119.7° | 118.6° |
| NAP | CAL | HAL | 119.7° | 118.6° |
| CAL | NAP | CBB | 120.6° | 120.8° |
| NAP | CBB | OAT | 131.4° | 133.9° |
| CBB | OAT | CAZ | 110.2° | 111.2° |
| OAT | CAZ | CAW | 124.6° | 125.2° |
| CAZ | CAW | CAH | 119.1° | 120.1° |
| CAZ | CAW | CAI | 120.8° | 120.1° |
| CAH | CAW | CAI | 119.9° | 119.7° |
| CAW | CAH | CAD | 120.3° | 119.9° |
| CAW | CAH | HAH | 119.9° | 120.0° |
| CAW | CAI | CAE | 119.7° | 119.9° |
| CAW | CAI | HAI | 120.1° | 120.0° |
| CAD | CAH | HAH | 119.9° | 120.0° |
| CAH | CAD | CAU | 120.1° | 120.1° |
| CAH | CAD | HAD | 119.9° | 119.9° |
| CAU | CAD | HAD | 120.0° | 120.0° |
| CAD | CAU | OAR | 119.8° | 119.9° |
| CAD | CAU | CAE | 120.0° | 120.1° |
| OAR | CAU | CAE | 120.2° | 120.0° |
| CAU | OAR | CAA | 119.8° | 106.8° |
| CAU | CAE | CAI | 119.9° | 120.2° |
| CAU | CAE | HAE | 120.1° | 119.9° |
| OAR | CAA | HAA1 | 119.8° | 109.5° |
| OAR | CAA | HAA2 | 108.5° | 109.5° |
| OAR | CAA | HAA3 | 108.5° | 109.5° |
| HAA1 | CAA | HAA2 | 108.5° | 109.5° |
| HAA1 | CAA | HAA3 | 108.5° | 109.4° |
| HAA2 | CAA | HAA3 | 101.5° | 109.4° |
| CAI | CAE | HAE | 120.1° | 119.9° |
| CAE | CAI | HAI | 120.2° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAS | CAB | HAB1 | HAB2 | 125.3° | 120.0° |
| OAS | CAB | HAB1 | HAB3 | 125.2° | 120.0° |
| OAS | CAB | HAB2 | HAB3 | 117.9° | 120.0° |
| CAB | OAS | CAV | CAG | 42.5° | 180.0° |
| CAB | OAS | CAV | CAF | 141.2° | 0.0° |
| HAB1 | CAB | HAB2 | HAB3 | 118.0° | 120.0° |
| HAB1 | CAB | OAS | CAV | 180.0° | 180.0° |
| HAB2 | CAB | OAS | CAV | 54.8° | 60.0° |
| HAB3 | CAB | OAS | CAV | 54.7° | 60.0° |
| OAS | CAV | CAG | CAF | 176.3° | 180.0° |
| OAS | CAV | CAG | CAK | 177.5° | 180.0° |
| OAS | CAV | CAG | HAG | 2.5° | 0.0° |
| OAS | CAV | CAF | CAJ | 177.8° | 179.7° |
| OAS | CAV | CAF | HAF | 2.2° | 0.0° |
| CAV | CAG | CAK | HAG | 180.0° | 179.9° |
| CAV | CAG | CAK | CAX | 0.8° | 0.0° |
| CAV | CAG | CAK | HAK | 179.2° | 180.0° |
| CAG | CAV | CAF | CAJ | 1.6° | 0.3° |
| CAG | CAV | CAF | HAF | 178.5° | 180.0° |
| CAF | CAV | CAG | CAK | 1.3° | 0.0° |
| CAF | CAV | CAG | HAG | 178.7° | 180.0° |
| CAV | CAF | CAJ | HAF | 180.0° | 179.7° |
| CAV | CAF | CAJ | CAX | 0.2° | 0.5° |
| CAV | CAF | CAJ | HAJ | 179.8° | 180.0° |
| CAG | CAK | CAX | HAK | 180.0° | 180.0° |
| CAG | CAK | CAX | CAJ | 2.5° | 0.2° |
| CAG | CAK | CAX | CBA | 176.5° | 180.0° |
| HAG | CAG | CAK | CAX | 179.2° | 179.9° |
| HAG | CAG | CAK | HAK | 0.8° | 0.1° |
| CAK | CAX | CAJ | CAF | 2.3° | 0.5° |
| CAK | CAX | CAJ | CBA | 174.1° | 179.8° |
| CAK | CAX | CAJ | HAJ | 177.7° | 180.0° |
| CAK | CAX | CBA | CBC | 120.2° | 112.6° |
| CAK | CAX | CBA | CAZ | 73.1° | 67.5° |
| HAK | CAK | CAX | CAJ | 177.5° | 179.8° |
| HAK | CAK | CAX | CBA | 3.5° | 0.0° |
| CAF | CAJ | CAX | HAJ | 180.0° | 179.5° |
| CAF | CAJ | CAX | CBA | 176.3° | 179.7° |
| HAF | CAF | CAJ | CAX | 179.8° | 179.8° |
| HAF | CAF | CAJ | HAJ | 0.2° | 0.2° |
| CAJ | CAX | CBA | CBC | 53.8° | 67.6° |
| CAJ | CAX | CBA | CAZ | 112.9° | 112.4° |
| HAJ | CAJ | CAX | CBA | 3.7° | 0.2° |
| CAX | CBA | CBC | CAZ | 169.0° | 180.0° |
| CAX | CBA | CBC | CAY | 12.0° | 0.1° |
| CAX | CBA | CBC | CBB | 173.7° | 179.7° |
| CAX | CBA | CAZ | OAT | 174.5° | 179.7° |
| CAX | CBA | CAZ | CAW | 10.2° | 0.1° |
| CBA | CBC | CAY | CBB | 173.8° | 179.7° |
| CBA | CBC | CAY | NAQ | 5.1° | 0.3° |
| CBA | CBC | CAY | NAO | 176.0° | 179.7° |
| CBA | CBC | CBB | NAP | 176.8° | 179.8° |
| CBA | CBC | CBB | OAT | 2.2° | 0.2° |
| CBC | CBA | CAZ | OAT | 5.6° | 0.3° |
| CBC | CBA | CAZ | CAW | 179.1° | 179.9° |
| CAZ | CBA | CBC | CAY | 179.0° | 179.9° |
| CAZ | CBA | CBC | CBB | 4.7° | 0.4° |
| CBA | CAZ | OAT | CBB | 4.4° | 0.2° |
| CBA | CAZ | OAT | CAW | 175.5° | 179.8° |
| CBA | CAZ | CAW | CAH | 165.6° | 132.8° |
| CBA | CAZ | CAW | CAI | 19.0° | 47.2° |
| CBC | CAY | NAQ | NAO | 179.0° | 180.0° |
| CBC | CAY | NAQ | CAN | 170.6° | 180.0° |
| CBC | CAY | NAQ | HAQ | 9.4° | 0.0° |
| CBC | CAY | NAO | CAL | 1.6° | 0.1° |
| CAY | CBC | CBB | NAP | 1.5° | 0.0° |
| CAY | CBC | CBB | OAT | 177.5° | 180.0° |
| CBB | CBC | CAY | NAQ | 178.8° | 180.0° |
| CBB | CBC | CAY | NAO | 2.2° | 0.0° |
| CBC | CBB | NAP | CAL | 0.2° | 0.0° |
| CBC | CBB | NAP | OAT | 178.8° | 180.0° |
| CBC | CBB | OAT | CAZ | 1.4° | 0.0° |
| CAY | NAQ | CAN | HAQ | 180.0° | 180.0° |
| CAY | NAQ | CAN | CAM | 75.4° | 180.0° |
| CAY | NAQ | CAN | HAN1 | 159.3° | 60.0° |
| CAY | NAQ | CAN | HAN2 | 49.8° | 60.0° |
| NAQ | CAY | NAO | CAL | 179.4° | 180.0° |
| NAO | CAY | NAQ | CAN | 8.3° | 0.0° |
| NAO | CAY | NAQ | HAQ | 171.7° | 180.0° |
| CAY | NAO | CAL | NAP | 0.3° | 0.1° |
| CAY | NAO | CAL | HAL | 179.7° | 179.9° |
| NAQ | CAN | CAM | HAN1 | 125.3° | 120.0° |
| NAQ | CAN | CAM | HAN2 | 125.3° | 120.0° |
| NAQ | CAN | HAN1 | HAN2 | 114.0° | 119.9° |
| NAQ | CAN | CAM | OAC | 75.2° | 59.9° |
| NAQ | CAN | CAM | HAM1 | 50.0° | 180.0° |
| NAQ | CAN | CAM | HAM2 | 159.5° | 60.0° |
| HAQ | NAQ | CAN | CAM | 104.6° | 0.0° |
| HAQ | NAQ | CAN | HAN1 | 20.7° | 120.0° |
| HAQ | NAQ | CAN | HAN2 | 130.2° | 120.0° |
| CAM | CAN | HAN1 | HAN2 | 114.0° | 120.1° |
| CAN | CAM | OAC | HAM1 | 125.2° | 120.0° |
| CAN | CAM | OAC | HAM2 | 125.3° | 119.9° |
| CAN | CAM | HAM1 | HAM2 | 114.0° | 119.9° |
| CAN | CAM | OAC | HAC | 180.0° | 180.0° |
| HAN1 | CAN | CAM | OAC | 159.5° | 60.0° |
| HAN1 | CAN | CAM | HAM1 | 75.2° | 60.1° |
| HAN1 | CAN | CAM | HAM2 | 34.2° | 180.0° |
| HAN2 | CAN | CAM | OAC | 50.1° | 179.9° |
| HAN2 | CAN | CAM | HAM1 | 175.3° | 60.0° |
| HAN2 | CAN | CAM | HAM2 | 75.2° | 60.0° |
| OAC | CAM | HAM1 | HAM2 | 114.0° | 120.0° |
| HAM1 | CAM | OAC | HAC | 54.8° | 59.9° |
| HAM2 | CAM | OAC | HAC | 54.7° | 60.1° |
| NAO | CAL | NAP | HAL | 180.0° | 180.0° |
| NAO | CAL | NAP | CBB | 0.4° | 0.0° |
| CAL | NAP | CBB | OAT | 178.5° | 180.0° |
| HAL | CAL | NAP | CBB | 179.6° | 180.0° |
| NAP | CBB | OAT | CAZ | 179.7° | 180.0° |
| CBB | OAT | CAZ | CAW | 179.9° | 180.0° |
| OAT | CAZ | CAW | CAH | 9.0° | 46.9° |
| OAT | CAZ | CAW | CAI | 166.4° | 133.1° |
| CAZ | CAW | CAH | CAI | 175.4° | 180.0° |
| CAZ | CAW | CAH | CAD | 178.4° | 180.0° |
| CAZ | CAW | CAH | HAH | 1.6° | 0.0° |
| CAZ | CAW | CAI | CAE | 178.7° | 179.8° |
| CAZ | CAW | CAI | HAI | 1.3° | 0.1° |
| CAW | CAH | CAD | HAH | 180.0° | 180.0° |
| CAW | CAH | CAD | CAU | 1.4° | 0.0° |
| CAW | CAH | CAD | HAD | 178.6° | 180.0° |
| CAH | CAW | CAI | CAE | 3.3° | 0.2° |
| CAH | CAW | CAI | HAI | 176.7° | 179.9° |
| CAI | CAW | CAH | CAD | 3.0° | 0.0° |
| CAI | CAW | CAH | HAH | 177.0° | 180.0° |
| CAW | CAI | CAE | CAU | 2.0° | 0.4° |
| CAW | CAI | CAE | HAI | 180.0° | 179.9° |
| CAW | CAI | CAE | HAE | 178.0° | 179.9° |
| CAH | CAD | CAU | HAD | 180.0° | 180.0° |
| CAH | CAD | CAU | OAR | 180.0° | 180.0° |
| CAH | CAD | CAU | CAE | 0.1° | 0.3° |
| HAH | CAH | CAD | CAU | 178.6° | 180.0° |
| HAH | CAH | CAD | HAD | 1.4° | 0.0° |
| CAD | CAU | OAR | CAE | 180.0° | 179.8° |
| CAD | CAU | OAR | CAA | 20.4° | 180.0° |
| CAD | CAU | CAE | CAI | 0.4° | 0.4° |
| CAD | CAU | CAE | HAE | 179.7° | 179.9° |
| HAD | CAD | CAU | OAR | 0.0° | 0.0° |
| HAD | CAD | CAU | CAE | 179.9° | 179.7° |
| CAU | OAR | CAA | HAA1 | 180.0° | 180.0° |
| CAU | OAR | CAA | HAA2 | 54.7° | 60.0° |
| CAU | OAR | CAA | HAA3 | 54.8° | 60.0° |
| OAR | CAU | CAE | CAI | 179.6° | 179.8° |
| OAR | CAU | CAE | HAE | 0.3° | 0.1° |
| CAE | CAU | OAR | CAA | 159.6° | 0.2° |
| CAU | CAE | CAI | HAE | 180.0° | 179.7° |
| CAU | CAE | CAI | HAI | 178.0° | 179.7° |
| OAR | CAA | HAA1 | HAA2 | 125.3° | 120.0° |
| OAR | CAA | HAA1 | HAA3 | 125.3° | 120.1° |
| OAR | CAA | HAA2 | HAA3 | 114.2° | 120.0° |
| HAA1 | CAA | HAA2 | HAA3 | 114.2° | 119.9° |
| HAE | CAE | CAI | HAI | 2.0° | 0.0° |
