WPE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAD | CAA | sing | 1.38Å | 1.40Å | Aromatic |
| CAD | CAE | doub | 1.38Å | 1.40Å | Aromatic |
| CAA | CAB | doub | 1.38Å | 1.41Å | Aromatic |
| CAB | CAC | sing | 1.38Å | 1.41Å | Aromatic |
| CAC | CAF | doub | 1.38Å | 1.42Å | Aromatic |
| CAF | CAE | sing | 1.38Å | 1.41Å | Aromatic |
| CAE | CAK | sing | 1.51Å | 1.57Å | |
| CAK | CAJ | sing | 1.51Å | 1.57Å | |
| CAK | NAL | sing | 1.47Å | 1.48Å | |
| CAJ | CAI | sing | 1.38Å | 1.38Å | Aromatic |
| CAJ | CAT | doub | 1.40Å | 1.41Å | Aromatic |
| CAI | CAH | doub | 1.39Å | 1.41Å | Aromatic |
| CAH | CL | sing | 1.74Å | 1.72Å | |
| CAH | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CAR | CAS | doub | 1.38Å | 1.40Å | Aromatic |
| CAS | CAT | sing | 1.40Å | 1.40Å | Aromatic |
| CAT | NAU | sing | 1.37Å | 1.39Å | |
| NAU | CAV | doub | 1.30Å | 1.37Å | |
| CAV | CAW | sing | 1.51Å | 1.55Å | |
| CAV | NAL | sing | 1.37Å | 1.43Å | |
| NAL | CAM | sing | 1.46Å | 1.48Å | |
| CAM | CAN | sing | 1.53Å | 1.50Å | |
| CAN | NAO | sing | 1.47Å | 1.45Å | |
| NAO | CAP | sing | 1.35Å | 1.34Å | |
| CAP | OAQ | doub | 1.22Å | 1.23Å | |
| CAP | CAY | sing | 1.47Å | 1.56Å | |
| CAY | CAX | doub | 1.36Å | 1.34Å | Aromatic |
| CAY | OAZ | sing | 1.35Å | 1.37Å | Aromatic |
| CAX | CBA | sing | 1.40Å | 1.34Å | Aromatic |
| CBA | CBB | doub | 1.35Å | 1.34Å | Aromatic |
| CBB | OAZ | sing | 1.34Å | 1.39Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAA | HAA | sing | 1.08Å | 1.08Å | |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAS | HAS | sing | 1.08Å | 1.08Å | |
| CAW | HAW1 | sing | 1.09Å | 1.10Å | |
| CAW | HAW2 | sing | 1.09Å | 1.10Å | |
| CAW | HAW3 | sing | 1.09Å | 1.10Å | |
| CAM | HAM1 | sing | 1.09Å | 1.10Å | |
| CAM | HAM2 | sing | 1.09Å | 1.10Å | |
| CAN | HAN1 | sing | 1.09Å | 1.10Å | |
| CAN | HAN2 | sing | 1.09Å | 1.10Å | |
| NAO | HAO | sing | 0.97Å | 1.00Å | |
| CAX | HAX | sing | 1.08Å | 1.08Å | |
| CBA | HBA | sing | 1.08Å | 1.08Å | |
| CBB | HBB | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAD | CAE | 120.7° | 120.0° |
| CAD | CAA | CAB | 121.3° | 120.0° |
| CAA | CAD | HAD | 119.6° | 120.0° |
| CAD | CAA | HAA | 119.4° | 120.0° |
| CAD | CAE | CAF | 118.0° | 119.9° |
| CAD | CAE | CAK | 119.4° | 120.0° |
| CAE | CAD | HAD | 119.6° | 119.9° |
| CAA | CAB | CAC | 119.0° | 120.0° |
| CAB | CAA | HAA | 119.4° | 120.0° |
| CAA | CAB | HAB | 120.5° | 120.0° |
| CAB | CAC | CAF | 118.7° | 120.0° |
| CAC | CAB | HAB | 120.5° | 120.0° |
| CAB | CAC | HAC | 120.7° | 120.0° |
| CAC | CAF | CAE | 122.1° | 120.0° |
| CAF | CAC | HAC | 120.7° | 120.0° |
| CAC | CAF | HAF | 118.9° | 120.0° |
| CAF | CAE | CAK | 122.5° | 120.0° |
| CAE | CAF | HAF | 118.9° | 120.0° |
| CAE | CAK | CAJ | 112.3° | 109.8° |
| CAE | CAK | NAL | 106.9° | 109.8° |
| CAE | CAK | HAK | 109.5° | 109.8° |
| CAJ | CAK | NAL | 110.0° | 107.7° |
| CAK | CAJ | CAI | 119.7° | 120.8° |
| CAK | CAJ | CAT | 122.3° | 118.9° |
| CAJ | CAK | HAK | 106.3° | 109.8° |
| CAK | NAL | CAV | 124.2° | 118.7° |
| CAK | NAL | CAM | 117.8° | 120.7° |
| NAL | CAK | HAK | 111.8° | 109.9° |
| CAI | CAJ | CAT | 118.0° | 120.3° |
| CAJ | CAI | CAH | 117.9° | 119.9° |
| CAJ | CAI | HAI | 121.0° | 120.0° |
| CAJ | CAT | CAS | 123.8° | 119.5° |
| CAJ | CAT | NAU | 120.1° | 120.0° |
| CAI | CAH | CL | 116.8° | 119.9° |
| CAI | CAH | CAR | 124.4° | 120.2° |
| CAH | CAI | HAI | 121.1° | 120.1° |
| CL | CAH | CAR | 118.7° | 119.9° |
| CAH | CAR | CAS | 117.3° | 120.3° |
| CAH | CAR | HAR | 121.3° | 119.9° |
| CAR | CAS | CAT | 118.5° | 119.8° |
| CAS | CAR | HAR | 121.4° | 119.8° |
| CAR | CAS | HAS | 120.8° | 120.1° |
| CAS | CAT | NAU | 116.0° | 120.5° |
| CAT | CAS | HAS | 120.8° | 120.1° |
| CAT | NAU | CAV | 122.7° | 121.1° |
| NAU | CAV | CAW | 117.1° | 119.7° |
| NAU | CAV | NAL | 120.0° | 120.5° |
| CAW | CAV | NAL | 122.9° | 119.8° |
| CAV | CAW | HAW1 | 109.5° | 109.5° |
| CAV | CAW | HAW2 | 109.5° | 109.5° |
| CAV | CAW | HAW3 | 109.5° | 109.5° |
| CAV | NAL | CAM | 117.9° | 120.6° |
| NAL | CAM | CAN | 106.4° | 109.5° |
| NAL | CAM | HAM1 | 110.5° | 109.5° |
| NAL | CAM | HAM2 | 111.2° | 109.5° |
| CAM | CAN | NAO | 106.2° | 109.5° |
| CAN | CAM | HAM1 | 110.5° | 109.5° |
| CAN | CAM | HAM2 | 111.2° | 109.4° |
| CAM | CAN | HAN1 | 110.6° | 109.5° |
| CAM | CAN | HAN2 | 111.3° | 109.5° |
| CAN | NAO | CAP | 123.4° | 120.0° |
| NAO | CAN | HAN1 | 110.6° | 109.5° |
| NAO | CAN | HAN2 | 111.3° | 109.4° |
| CAN | NAO | HAO | 118.3° | 120.0° |
| NAO | CAP | OAQ | 124.2° | 120.0° |
| NAO | CAP | CAY | 112.8° | 120.0° |
| CAP | NAO | HAO | 118.3° | 120.0° |
| OAQ | CAP | CAY | 123.0° | 120.0° |
| CAP | CAY | CAX | 124.6° | 126.0° |
| CAP | CAY | OAZ | 126.2° | 126.0° |
| CAX | CAY | OAZ | 109.1° | 108.0° |
| CAY | CAX | CBA | 108.9° | 106.7° |
| CAY | CAX | HAX | 125.6° | 126.7° |
| CAY | OAZ | CBB | 105.1° | 109.4° |
| CAX | CBA | CBB | 108.1° | 107.1° |
| CBA | CAX | HAX | 125.6° | 126.6° |
| CAX | CBA | HBA | 126.0° | 126.5° |
| CBA | CBB | OAZ | 108.9° | 108.7° |
| CBB | CBA | HBA | 126.0° | 126.5° |
| CBA | CBB | HBB | 125.6° | 125.7° |
| OAZ | CBB | HBB | 125.6° | 125.6° |
| HAW1 | CAW | HAW2 | 109.4° | 109.5° |
| HAW1 | CAW | HAW3 | 109.4° | 109.5° |
| HAW2 | CAW | HAW3 | 109.5° | 109.4° |
| HAM1 | CAM | HAM2 | 107.1° | 109.4° |
| HAN1 | CAN | HAN2 | 107.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAD | CAE | HAD | 180.0° | 179.7° |
| CAD | CAA | CAB | HAA | 180.0° | 179.9° |
| CAD | CAA | CAB | CAC | 1.1° | 0.1° |
| CAA | CAD | CAE | CAF | 3.0° | 0.0° |
| CAA | CAD | CAE | CAK | 179.2° | 180.0° |
| CAD | CAA | CAB | HAB | 178.8° | 180.0° |
| CAE | CAD | CAA | CAB | 1.0° | 0.1° |
| CAD | CAE | CAF | CAC | 5.2° | 0.1° |
| CAD | CAE | CAF | CAK | 176.1° | 179.9° |
| CAD | CAE | CAK | CAJ | 117.1° | 100.0° |
| CAD | CAE | CAK | NAL | 122.1° | 141.8° |
| CAE | CAD | CAA | HAA | 179.0° | 180.0° |
| CAD | CAE | CAF | HAF | 174.7° | 179.9° |
| CAD | CAE | CAK | HAK | 0.8° | 20.9° |
| CAA | CAB | CAC | HAB | 180.0° | 179.9° |
| CAA | CAB | CAC | CAF | 3.2° | 0.0° |
| CAB | CAA | CAD | HAD | 179.0° | 179.8° |
| CAA | CAB | CAC | HAC | 176.8° | 180.0° |
| CAB | CAC | CAF | HAC | 180.0° | 180.0° |
| CAB | CAC | CAF | CAE | 5.4° | 0.1° |
| CAC | CAB | CAA | HAA | 178.8° | 180.0° |
| CAB | CAC | CAF | HAF | 174.6° | 179.9° |
| CAC | CAF | CAE | HAF | 180.0° | 179.9° |
| CAC | CAF | CAE | CAK | 178.6° | 180.0° |
| CAF | CAC | CAB | HAB | 176.8° | 180.0° |
| CAF | CAE | CAK | CAJ | 66.8° | 80.1° |
| CAF | CAE | CAK | NAL | 53.9° | 38.2° |
| CAF | CAE | CAD | HAD | 177.0° | 179.7° |
| CAE | CAF | CAC | HAC | 174.6° | 179.9° |
| CAF | CAE | CAK | HAK | 175.2° | 159.1° |
| CAE | CAK | CAJ | NAL | 118.9° | 119.5° |
| CAE | CAK | CAJ | HAK | 119.8° | 120.9° |
| CAE | CAK | NAL | HAK | 119.9° | 120.9° |
| CAE | CAK | CAJ | CAI | 68.8° | 86.5° |
| CAE | CAK | CAJ | CAT | 111.0° | 93.4° |
| CAE | CAK | NAL | CAV | 115.6° | 78.3° |
| CAE | CAK | NAL | CAM | 60.4° | 101.8° |
| CAK | CAE | CAD | HAD | 0.8° | 0.3° |
| CAK | CAE | CAF | HAF | 1.4° | 0.1° |
| CAJ | CAK | NAL | HAK | 117.9° | 119.5° |
| CAK | CAJ | CAI | CAT | 179.8° | 179.9° |
| CAK | CAJ | CAI | CAH | 179.1° | 179.9° |
| CAK | CAJ | CAT | CAS | 179.9° | 179.8° |
| CAK | CAJ | CAT | NAU | 2.7° | 0.3° |
| CAJ | CAK | NAL | CAV | 6.6° | 41.3° |
| CAJ | CAK | NAL | CAM | 177.4° | 138.7° |
| CAK | CAJ | CAI | HAI | 0.9° | 0.1° |
| NAL | CAK | CAJ | CAI | 172.3° | 153.9° |
| NAL | CAK | CAJ | CAT | 8.0° | 26.2° |
| CAK | NAL | CAV | NAU | 0.1° | 30.7° |
| CAK | NAL | CAV | CAW | 179.1° | 149.2° |
| CAK | NAL | CAV | CAM | 176.0° | 180.0° |
| CAK | NAL | CAM | CAN | 82.0° | 89.9° |
| CAK | NAL | CAM | HAM1 | 158.0° | 150.0° |
| CAK | NAL | CAM | HAM2 | 39.2° | 30.0° |
| CAJ | CAI | CAH | HAI | 180.0° | 179.9° |
| CAJ | CAI | CAH | CL | 179.8° | 180.0° |
| CAJ | CAI | CAH | CAR | 1.4° | 0.0° |
| CAI | CAJ | CAT | CAS | 0.3° | 0.1° |
| CAI | CAJ | CAT | NAU | 177.5° | 179.8° |
| CAI | CAJ | CAK | HAK | 51.0° | 34.3° |
| CAT | CAJ | CAI | CAH | 1.1° | 0.0° |
| CAJ | CAT | CAS | CAR | 0.1° | 0.1° |
| CAJ | CAT | CAS | NAU | 177.3° | 179.9° |
| CAJ | CAT | NAU | CAV | 5.2° | 15.2° |
| CAT | CAJ | CAK | HAK | 129.2° | 145.7° |
| CAT | CAJ | CAI | HAI | 178.9° | 179.9° |
| CAJ | CAT | CAS | HAS | 179.8° | 179.9° |
| CAI | CAH | CL | CAR | 178.5° | 180.0° |
| CAI | CAH | CAR | CAS | 1.0° | 0.0° |
| CAI | CAH | CAR | HAR | 179.0° | 179.9° |
| CL | CAH | CAR | CAS | 179.3° | 180.0° |
| CL | CAH | CAI | HAI | 0.2° | 0.0° |
| CL | CAH | CAR | HAR | 0.7° | 0.0° |
| CAH | CAR | CAS | HAR | 180.0° | 180.0° |
| CAH | CAR | CAS | CAT | 0.1° | 0.0° |
| CAR | CAH | CAI | HAI | 178.5° | 180.0° |
| CAH | CAR | CAS | HAS | 179.9° | 180.0° |
| CAR | CAS | CAT | HAS | 180.0° | 180.0° |
| CAR | CAS | CAT | NAU | 177.1° | 179.8° |
| CAS | CAT | NAU | CAV | 172.2° | 164.7° |
| CAT | CAS | CAR | HAR | 179.9° | 180.0° |
| CAT | NAU | CAV | CAW | 172.5° | 179.9° |
| CAT | NAU | CAV | NAL | 6.7° | 0.1° |
| NAU | CAT | CAS | HAS | 2.9° | 0.2° |
| NAU | CAV | CAW | NAL | 179.2° | 179.9° |
| NAU | CAV | NAL | CAM | 175.9° | 149.3° |
| NAU | CAV | CAW | HAW1 | 73.7° | 0.0° |
| NAU | CAV | CAW | HAW2 | 166.3° | 120.0° |
| NAU | CAV | CAW | HAW3 | 46.2° | 120.1° |
| CAW | CAV | NAL | CAM | 4.9° | 30.8° |
| CAV | CAW | HAW1 | HAW2 | 120.0° | 120.0° |
| CAV | CAW | HAW1 | HAW3 | 120.0° | 120.0° |
| CAV | CAW | HAW2 | HAW3 | 120.0° | 120.0° |
| CAV | NAL | CAM | CAN | 101.8° | 90.0° |
| CAV | NAL | CAK | HAK | 124.5° | 160.8° |
| NAL | CAV | CAW | HAW1 | 107.1° | 180.0° |
| NAL | CAV | CAW | HAW2 | 12.9° | 59.9° |
| NAL | CAV | CAW | HAW3 | 133.0° | 60.0° |
| CAV | NAL | CAM | HAM1 | 18.2° | 30.0° |
| CAV | NAL | CAM | HAM2 | 137.0° | 150.0° |
| NAL | CAM | CAN | HAM1 | 120.0° | 120.1° |
| NAL | CAM | CAN | HAM2 | 121.2° | 120.0° |
| NAL | CAM | CAN | NAO | 176.0° | 180.0° |
| CAM | NAL | CAK | HAK | 59.5° | 19.1° |
| NAL | CAM | HAM1 | HAM2 | 121.3° | 120.0° |
| NAL | CAM | CAN | HAN1 | 56.0° | 60.0° |
| NAL | CAM | CAN | HAN2 | 62.8° | 60.0° |
| CAM | CAN | NAO | HAN1 | 120.0° | 120.0° |
| CAM | CAN | NAO | HAN2 | 121.3° | 120.0° |
| CAM | CAN | NAO | CAP | 85.0° | 180.0° |
| CAN | CAM | HAM1 | HAM2 | 121.3° | 119.9° |
| CAM | CAN | HAN1 | HAN2 | 121.3° | 120.0° |
| CAM | CAN | NAO | HAO | 95.0° | 0.1° |
| CAN | NAO | CAP | HAO | 180.0° | 179.9° |
| CAN | NAO | CAP | OAQ | 1.3° | 0.1° |
| CAN | NAO | CAP | CAY | 179.2° | 180.0° |
| NAO | CAN | CAM | HAM1 | 64.1° | 59.9° |
| NAO | CAN | CAM | HAM2 | 54.7° | 60.0° |
| NAO | CAN | HAN1 | HAN2 | 121.3° | 120.0° |
| NAO | CAP | OAQ | CAY | 179.4° | 180.0° |
| NAO | CAP | CAY | CAX | 6.2° | 179.9° |
| NAO | CAP | CAY | OAZ | 173.6° | 0.3° |
| CAP | NAO | CAN | HAN1 | 155.0° | 60.0° |
| CAP | NAO | CAN | HAN2 | 36.3° | 60.0° |
| OAQ | CAP | CAY | CAX | 173.3° | 0.0° |
| OAQ | CAP | CAY | OAZ | 6.9° | 179.7° |
| OAQ | CAP | NAO | HAO | 178.6° | 180.0° |
| CAP | CAY | CAX | OAZ | 179.8° | 179.7° |
| CAP | CAY | CAX | CBA | 179.9° | 180.0° |
| CAP | CAY | OAZ | CBB | 179.6° | 179.9° |
| CAY | CAP | NAO | HAO | 0.8° | 0.1° |
| CAP | CAY | CAX | HAX | 0.1° | 0.1° |
| CAY | CAX | CBA | HAX | 180.0° | 179.9° |
| CAY | CAX | CBA | CBB | 0.1° | 0.0° |
| CAX | CAY | OAZ | CBB | 0.6° | 0.4° |
| CAY | CAX | CBA | HBA | 179.9° | 180.0° |
| OAZ | CAY | CAX | CBA | 0.3° | 0.3° |
| CAY | OAZ | CBB | CBA | 0.6° | 0.4° |
| OAZ | CAY | CAX | HAX | 179.7° | 179.8° |
| CAY | OAZ | CBB | HBB | 179.4° | 179.8° |
| CAX | CBA | CBB | HBA | 180.0° | 180.0° |
| CAX | CBA | CBB | OAZ | 0.5° | 0.2° |
| CAX | CBA | CBB | HBB | 179.5° | 180.0° |
| CBA | CBB | OAZ | HBB | 180.0° | 179.8° |
| CBB | CBA | CAX | HAX | 179.9° | 179.9° |
| OAZ | CBB | CBA | HBA | 179.6° | 179.8° |
| HAD | CAD | CAA | HAA | 1.0° | 0.3° |
| HAA | CAA | CAB | HAB | 1.2° | 0.1° |
| HAB | CAB | CAC | HAC | 3.2° | 0.1° |
| HAC | CAC | CAF | HAF | 5.4° | 0.0° |
| HAR | CAR | CAS | HAS | 0.1° | 0.0° |
| HAW1 | CAW | HAW2 | HAW3 | 120.0° | 120.0° |
| HAM1 | CAM | CAN | HAN1 | 175.9° | 179.9° |
| HAM1 | CAM | CAN | HAN2 | 57.2° | 60.0° |
| HAM2 | CAM | CAN | HAN1 | 65.3° | 60.0° |
| HAM2 | CAM | CAN | HAN2 | 176.0° | 180.0° |
| HAN1 | CAN | NAO | HAO | 25.0° | 120.0° |
| HAN2 | CAN | NAO | HAO | 143.7° | 120.1° |
| HAX | CAX | CBA | HBA | 0.1° | 0.1° |
| HBA | CBA | CBB | HBB | 0.4° | 0.0° |
