PL8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | H1AA | sing | 1.09Å | 1.10Å | |
| CAA | H2AA | sing | 1.09Å | 1.10Å | |
| CAA | H3AA | sing | 1.09Å | 1.10Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å | |
| OAE | CAW | sing | 1.36Å | 1.36Å | |
| OAE | HOAE | sing | 0.97Å | 0.95Å | |
| OAF | PBA | sing | 1.61Å | 1.61Å | |
| OAG | PBA | sing | 1.61Å | 1.60Å | |
| CAH | CAI | sing | 1.40Å | 1.39Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | CAX | doub | 1.37Å | 1.39Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | NAR | sing | 1.32Å | 1.40Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | CAL | sing | 1.53Å | 1.53Å | |
| CAK | OAD | sing | 1.43Å | 1.44Å | |
| CAK | H1AK | sing | 1.09Å | 1.10Å | |
| CAK | H2AK | sing | 1.09Å | 1.10Å | |
| CAL | H1AL | sing | 1.09Å | 1.10Å | |
| CAL | H2AL | sing | 1.09Å | 1.10Å | |
| CAM | CAU | sing | 1.51Å | 1.39Å | |
| CAM | CAL | sing | 1.53Å | 1.53Å | |
| CAM | H1AM | sing | 1.09Å | 1.10Å | |
| CAM | H2AM | sing | 1.09Å | 1.10Å | |
| CAN | CAY | sing | 1.51Å | 1.40Å | |
| CAN | H1AN | sing | 1.09Å | 1.10Å | |
| CAN | H2AN | sing | 1.09Å | 1.10Å | |
| CAO | CAV | sing | 1.51Å | 1.39Å | |
| CAO | OAS | sing | 1.43Å | 1.43Å | |
| CAO | H1AO | sing | 1.09Å | 1.10Å | |
| CAO | H2AO | sing | 1.09Å | 1.10Å | |
| NAP | CAN | sing | 1.46Å | 1.47Å | |
| NAP | HNAP | sing | 0.97Å | 1.00Å | |
| NAQ | CAZ | sing | 1.35Å | 1.40Å | |
| NAQ | HNAQ | sing | 0.97Å | 1.00Å | |
| OAS | PBA | sing | 1.61Å | 1.63Å | |
| CAT | CAA | sing | 1.51Å | 1.40Å | |
| CAT | NAR | doub | 1.32Å | 1.34Å | Aromatic |
| CAU | CAH | doub | 1.35Å | 1.39Å | |
| CAU | NAQ | sing | 1.36Å | 1.41Å | |
| CAV | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAW | CAT | sing | 1.39Å | 1.39Å | Aromatic |
| CAX | NAP | sing | 1.40Å | 1.33Å | |
| CAY | CAW | doub | 1.39Å | 1.39Å | Aromatic |
| CAY | CAV | sing | 1.39Å | 1.38Å | Aromatic |
| CAZ | CAX | sing | 1.41Å | 1.39Å | |
| CAZ | OAB | doub | 1.22Å | 1.23Å | |
| PBA | OAC | doub | 1.48Å | 1.49Å | |
| OAF | H21 | sing | 0.97Å | 0.95Å | |
| OAG | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| H1AA | CAA | H2AA | 109.4° | 109.5° |
| H1AA | CAA | H3AA | 109.5° | 109.4° |
| H1AA | CAA | CAT | 109.5° | 109.5° |
| H2AA | CAA | H3AA | 109.5° | 109.5° |
| H2AA | CAA | CAT | 109.5° | 109.5° |
| H3AA | CAA | CAT | 109.5° | 109.4° |
| HOAD | OAD | CAK | 109.5° | 114.0° |
| CAW | OAE | HOAE | 109.5° | 114.0° |
| OAE | CAW | CAT | 117.9° | 120.5° |
| OAE | CAW | CAY | 120.2° | 120.5° |
| OAF | PBA | OAG | 107.3° | 109.5° |
| OAF | PBA | OAS | 105.7° | 109.5° |
| OAF | PBA | OAC | 110.6° | 109.5° |
| PBA | OAF | H21 | 109.5° | 114.0° |
| OAG | PBA | OAS | 109.9° | 109.5° |
| OAG | PBA | OAC | 111.3° | 109.4° |
| PBA | OAG | H22 | 109.5° | 114.0° |
| CAI | CAH | HAH | 120.3° | 120.0° |
| CAH | CAI | CAX | 120.2° | 119.2° |
| CAH | CAI | HAI | 119.9° | 120.3° |
| CAI | CAH | CAU | 119.5° | 120.0° |
| HAH | CAH | CAU | 120.3° | 120.0° |
| CAX | CAI | HAI | 119.9° | 120.4° |
| CAI | CAX | NAP | 120.8° | 120.4° |
| CAI | CAX | CAZ | 121.3° | 119.2° |
| NAR | CAJ | HAJ | 119.9° | 119.6° |
| CAJ | NAR | CAT | 120.5° | 121.8° |
| NAR | CAJ | CAV | 120.1° | 120.9° |
| HAJ | CAJ | CAV | 119.9° | 119.6° |
| CAL | CAK | OAD | 109.1° | 109.5° |
| CAL | CAK | H1AK | 109.6° | 109.5° |
| CAL | CAK | H2AK | 109.6° | 109.5° |
| CAK | CAL | H1AL | 109.5° | 109.5° |
| CAK | CAL | H2AL | 109.5° | 109.5° |
| CAK | CAL | CAM | 109.3° | 109.5° |
| OAD | CAK | H1AK | 109.6° | 109.5° |
| OAD | CAK | H2AK | 109.6° | 109.5° |
| H1AK | CAK | H2AK | 109.4° | 109.5° |
| H1AL | CAL | H2AL | 109.4° | 109.5° |
| H1AL | CAL | CAM | 109.5° | 109.5° |
| H2AL | CAL | CAM | 109.6° | 109.5° |
| CAU | CAM | CAL | 110.6° | 109.5° |
| CAU | CAM | H1AM | 109.1° | 109.5° |
| CAU | CAM | H2AM | 109.1° | 109.5° |
| CAM | CAU | CAH | 120.2° | 119.6° |
| CAM | CAU | NAQ | 119.6° | 119.6° |
| CAL | CAM | H1AM | 109.1° | 109.5° |
| CAL | CAM | H2AM | 109.1° | 109.4° |
| H1AM | CAM | H2AM | 109.8° | 109.5° |
| CAY | CAN | H1AN | 107.2° | 109.5° |
| CAY | CAN | H2AN | 107.2° | 109.5° |
| CAY | CAN | NAP | 116.4° | 109.4° |
| CAN | CAY | CAW | 126.6° | 120.8° |
| CAN | CAY | CAV | 115.3° | 120.8° |
| H1AN | CAN | H2AN | 111.6° | 109.5° |
| H1AN | CAN | NAP | 107.2° | 109.5° |
| H2AN | CAN | NAP | 107.2° | 109.5° |
| CAV | CAO | OAS | 112.0° | 109.5° |
| CAV | CAO | H1AO | 108.7° | 109.5° |
| CAV | CAO | H2AO | 108.6° | 109.5° |
| CAO | CAV | CAJ | 121.9° | 120.3° |
| CAO | CAV | CAY | 118.2° | 120.4° |
| OAS | CAO | H1AO | 108.7° | 109.5° |
| OAS | CAO | H2AO | 108.7° | 109.4° |
| CAO | OAS | PBA | 118.5° | 123.0° |
| H1AO | CAO | H2AO | 110.3° | 109.4° |
| CAN | NAP | HNAP | 106.7° | 120.1° |
| CAN | NAP | CAX | 118.0° | 120.0° |
| HNAP | NAP | CAX | 106.7° | 119.9° |
| CAZ | NAQ | HNAQ | 119.9° | 119.6° |
| CAZ | NAQ | CAU | 120.3° | 120.7° |
| NAQ | CAZ | CAX | 118.5° | 119.9° |
| NAQ | CAZ | OAB | 120.3° | 120.0° |
| HNAQ | NAQ | CAU | 119.9° | 119.6° |
| OAS | PBA | OAC | 111.9° | 109.5° |
| CAA | CAT | NAR | 120.0° | 119.7° |
| CAA | CAT | CAW | 120.6° | 119.6° |
| NAR | CAT | CAW | 119.4° | 120.7° |
| CAH | CAU | NAQ | 120.2° | 120.8° |
| CAJ | CAV | CAY | 120.0° | 119.2° |
| CAT | CAW | CAY | 121.9° | 119.1° |
| NAP | CAX | CAZ | 117.9° | 120.4° |
| CAW | CAY | CAV | 118.1° | 118.4° |
| CAX | CAZ | OAB | 121.2° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| H1AA | CAA | H2AA | H3AA | 120.0° | 119.9° |
| H1AA | CAA | H2AA | CAT | 120.0° | 120.0° |
| H1AA | CAA | H3AA | CAT | 120.0° | 120.0° |
| H1AA | CAA | CAT | NAR | 0.0° | 90.0° |
| H1AA | CAA | CAT | CAW | 179.9° | 90.1° |
| H2AA | CAA | H3AA | CAT | 120.0° | 120.1° |
| H2AA | CAA | CAT | NAR | 120.0° | 150.0° |
| H2AA | CAA | CAT | CAW | 60.1° | 30.0° |
| H3AA | CAA | CAT | NAR | 120.0° | 29.9° |
| H3AA | CAA | CAT | CAW | 59.9° | 150.0° |
| HOAD | OAD | CAK | CAL | 180.0° | 180.0° |
| HOAD | OAD | CAK | H1AK | 60.0° | 60.0° |
| HOAD | OAD | CAK | H2AK | 60.0° | 60.0° |
| OAE | CAW | CAY | CAN | 0.5° | 0.0° |
| OAE | CAW | CAT | CAA | 0.1° | 0.0° |
| OAE | CAW | CAT | NAR | 180.0° | 180.0° |
| OAE | CAW | CAT | CAY | 179.9° | 179.4° |
| OAE | CAW | CAY | CAV | 179.6° | 179.7° |
| HOAE | OAE | CAW | CAT | 180.0° | 90.0° |
| HOAE | OAE | CAW | CAY | 0.1° | 89.4° |
| OAF | PBA | OAG | OAS | 114.4° | 120.1° |
| OAF | PBA | OAG | OAC | 121.1° | 120.0° |
| OAF | PBA | OAS | CAO | 77.8° | 175.0° |
| OAF | PBA | OAS | OAC | 120.4° | 120.0° |
| OAF | PBA | OAG | H22 | 121.1° | 60.1° |
| OAG | PBA | OAS | CAO | 37.7° | 65.0° |
| OAG | PBA | OAS | OAC | 124.1° | 120.0° |
| OAG | PBA | OAF | H21 | 121.5° | 60.0° |
| CAI | CAH | HAH | CAU | 180.0° | 179.7° |
| CAH | CAI | CAX | HAI | 180.0° | 180.0° |
| CAI | CAH | CAU | CAM | 179.7° | 180.0° |
| CAI | CAH | CAU | NAQ | 0.8° | 0.0° |
| CAH | CAI | CAX | NAP | 179.3° | 179.9° |
| CAH | CAI | CAX | CAZ | 2.0° | 0.0° |
| HAH | CAH | CAI | CAX | 178.5° | 180.0° |
| HAH | CAH | CAI | HAI | 1.5° | 0.0° |
| HAH | CAH | CAU | CAM | 0.3° | 0.3° |
| HAH | CAH | CAU | NAQ | 179.2° | 179.7° |
| CAI | CAX | NAP | CAN | 0.2° | 180.0° |
| CAI | CAX | NAP | HNAP | 120.2° | 0.1° |
| CAI | CAX | CAZ | NAQ | 1.6° | 0.6° |
| CAX | CAI | CAH | CAU | 1.5° | 0.3° |
| CAI | CAX | NAP | CAZ | 177.4° | 180.0° |
| CAI | CAX | CAZ | OAB | 179.0° | 179.7° |
| HAI | CAI | CAH | CAU | 178.5° | 179.7° |
| HAI | CAI | CAX | NAP | 0.7° | 0.1° |
| HAI | CAI | CAX | CAZ | 178.0° | 180.0° |
| NAR | CAJ | HAJ | CAV | 180.0° | 179.7° |
| NAR | CAJ | CAV | CAO | 179.1° | 180.0° |
| CAJ | NAR | CAT | CAA | 179.9° | 180.0° |
| CAJ | NAR | CAT | CAW | 0.2° | 0.0° |
| NAR | CAJ | CAV | CAY | 0.7° | 0.0° |
| HAJ | CAJ | CAV | CAO | 0.9° | 0.3° |
| HAJ | CAJ | NAR | CAT | 179.8° | 180.0° |
| HAJ | CAJ | CAV | CAY | 179.4° | 179.7° |
| CAL | CAK | OAD | H1AK | 120.0° | 120.0° |
| CAL | CAK | OAD | H2AK | 120.0° | 120.0° |
| CAL | CAK | H1AK | H2AK | 120.1° | 120.0° |
| CAK | CAL | H1AL | H2AL | 120.1° | 120.0° |
| CAK | CAL | H1AL | CAM | 119.8° | 120.1° |
| CAK | CAL | H2AL | CAM | 119.8° | 120.0° |
| CAK | CAL | CAM | CAU | 179.0° | 180.0° |
| CAK | CAL | CAM | H1AM | 61.0° | 60.0° |
| CAK | CAL | CAM | H2AM | 59.0° | 60.0° |
| OAD | CAK | H1AK | H2AK | 120.1° | 120.0° |
| OAD | CAK | CAL | H1AL | 60.5° | 60.0° |
| OAD | CAK | CAL | H2AL | 59.5° | 60.0° |
| OAD | CAK | CAL | CAM | 179.5° | 180.0° |
| H1AK | CAK | CAL | H1AL | 59.5° | 180.0° |
| H1AK | CAK | CAL | H2AL | 179.5° | 60.0° |
| H1AK | CAK | CAL | CAM | 60.5° | 60.0° |
| H2AK | CAK | CAL | H1AL | 179.5° | 60.0° |
| H2AK | CAK | CAL | H2AL | 60.5° | 180.0° |
| H2AK | CAK | CAL | CAM | 59.5° | 60.0° |
| H1AL | CAL | H2AL | CAM | 120.1° | 120.0° |
| H1AL | CAL | CAM | CAU | 61.0° | 59.9° |
| H1AL | CAL | CAM | H1AM | 59.0° | 180.0° |
| H1AL | CAL | CAM | H2AM | 179.0° | 60.0° |
| H2AL | CAL | CAM | CAU | 59.0° | 60.0° |
| H2AL | CAL | CAM | H1AM | 179.0° | 60.0° |
| H2AL | CAL | CAM | H2AM | 61.0° | 180.0° |
| CAU | CAM | CAL | H1AM | 120.0° | 120.0° |
| CAU | CAM | CAL | H2AM | 120.0° | 120.0° |
| CAU | CAM | H1AM | H2AM | 119.5° | 120.0° |
| CAM | CAU | NAQ | CAZ | 179.4° | 179.4° |
| CAM | CAU | NAQ | HNAQ | 0.6° | 0.2° |
| CAM | CAU | CAH | NAQ | 178.9° | 179.9° |
| CAL | CAM | H1AM | H2AM | 119.6° | 119.9° |
| CAL | CAM | CAU | CAH | 95.4° | 95.0° |
| CAL | CAM | CAU | NAQ | 85.7° | 84.9° |
| H1AM | CAM | CAU | CAH | 24.7° | 25.1° |
| H1AM | CAM | CAU | NAQ | 154.3° | 155.0° |
| H2AM | CAM | CAU | CAH | 144.6° | 145.1° |
| H2AM | CAM | CAU | NAQ | 34.3° | 35.0° |
| CAY | CAN | H1AN | H2AN | 117.1° | 120.0° |
| CAY | CAN | H1AN | NAP | 125.7° | 119.9° |
| CAY | CAN | H2AN | NAP | 125.7° | 119.9° |
| CAN | CAY | CAV | CAO | 0.8° | 0.2° |
| CAY | CAN | NAP | HNAP | 41.4° | 0.1° |
| CAN | CAY | CAV | CAJ | 179.3° | 179.7° |
| CAN | CAY | CAW | CAT | 179.7° | 179.5° |
| CAY | CAN | NAP | CAX | 161.4° | 180.0° |
| CAN | CAY | CAW | CAV | 180.0° | 179.6° |
| H1AN | CAN | H2AN | NAP | 117.2° | 120.1° |
| H1AN | CAN | NAP | HNAP | 161.5° | 120.1° |
| H1AN | CAN | NAP | CAX | 78.5° | 60.0° |
| H1AN | CAN | CAY | CAW | 121.1° | 29.9° |
| H1AN | CAN | CAY | CAV | 58.9° | 149.7° |
| H2AN | CAN | NAP | HNAP | 78.6° | 119.9° |
| H2AN | CAN | NAP | CAX | 41.4° | 60.0° |
| H2AN | CAN | CAY | CAW | 118.9° | 150.0° |
| H2AN | CAN | CAY | CAV | 61.1° | 29.7° |
| CAV | CAO | OAS | H1AO | 120.0° | 120.1° |
| CAV | CAO | OAS | H2AO | 120.0° | 120.0° |
| CAV | CAO | H1AO | H2AO | 119.0° | 120.0° |
| CAV | CAO | OAS | PBA | 146.9° | 180.0° |
| CAO | CAV | CAJ | CAY | 178.4° | 180.0° |
| CAO | CAV | CAY | CAW | 179.2° | 179.4° |
| OAS | CAO | H1AO | H2AO | 119.0° | 119.9° |
| OAS | CAO | CAV | CAJ | 90.1° | 0.0° |
| OAS | CAO | CAV | CAY | 91.4° | 180.0° |
| CAO | OAS | PBA | OAC | 161.8° | 55.0° |
| H1AO | CAO | OAS | PBA | 93.1° | 60.0° |
| H1AO | CAO | CAV | CAJ | 29.9° | 120.0° |
| H1AO | CAO | CAV | CAY | 148.6° | 60.0° |
| H2AO | CAO | OAS | PBA | 26.9° | 60.0° |
| H2AO | CAO | CAV | CAJ | 149.9° | 120.0° |
| H2AO | CAO | CAV | CAY | 28.6° | 60.0° |
| CAN | NAP | HNAP | CAX | 127.0° | 179.9° |
| NAP | CAN | CAY | CAW | 1.1° | 90.1° |
| NAP | CAN | CAY | CAV | 178.9° | 90.3° |
| CAN | NAP | CAX | CAZ | 177.5° | 0.1° |
| HNAP | NAP | CAX | CAZ | 62.5° | 180.0° |
| CAZ | NAQ | HNAQ | CAU | 180.0° | 179.1° |
| CAZ | NAQ | CAU | CAH | 0.4° | 0.6° |
| NAQ | CAZ | CAX | NAP | 179.0° | 179.4° |
| NAQ | CAZ | CAX | OAB | 179.4° | 179.1° |
| HNAQ | NAQ | CAU | CAH | 179.6° | 179.7° |
| HNAQ | NAQ | CAZ | CAX | 179.2° | 180.0° |
| HNAQ | NAQ | CAZ | OAB | 0.2° | 0.9° |
| OAS | PBA | OAF | H21 | 121.2° | 180.0° |
| OAS | PBA | OAG | H22 | 124.5° | 60.0° |
| CAA | CAT | NAR | CAW | 179.9° | 179.9° |
| CAA | CAT | CAW | CAY | 180.0° | 179.4° |
| CAT | NAR | CAJ | CAV | 0.2° | 0.3° |
| NAR | CAT | CAW | CAY | 0.1° | 0.6° |
| CAU | NAQ | CAZ | CAX | 0.8° | 0.9° |
| CAU | NAQ | CAZ | OAB | 179.8° | 180.0° |
| CAJ | CAV | CAY | CAW | 0.7° | 0.6° |
| CAT | CAW | CAY | CAV | 0.3° | 0.9° |
| NAP | CAX | CAZ | OAB | 1.7° | 0.3° |
| OAC | PBA | OAF | H21 | 0.0° | 60.0° |
| OAC | PBA | OAG | H22 | 0.0° | 180.0° |
