PL6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAE | PAY | doub | 1.48Å | 1.57Å | |
| OAI | PAY | sing | 1.61Å | 1.57Å | |
| PAY | OAQ | sing | 1.61Å | 1.62Å | |
| PAY | OAD | sing | 1.61Å | 1.50Å | |
| OAI | HOAI | sing | 0.97Å | 0.95Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å | |
| OAQ | CAN | sing | 1.43Å | 1.46Å | |
| CAU | CAN | sing | 1.51Å | 1.53Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAN | HANA | sing | 1.09Å | 1.10Å | |
| CAW | CAU | doub | 1.40Å | 1.40Å | Aromatic |
| CAU | CAK | sing | 1.38Å | 1.40Å | Aromatic |
| CAK | NAO | doub | 1.32Å | 1.33Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAT | NAO | sing | 1.32Å | 1.34Å | Aromatic |
| CAV | CAT | doub | 1.39Å | 1.39Å | Aromatic |
| CAT | CAA | sing | 1.51Å | 1.53Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| OAH | CAV | sing | 1.36Å | 1.36Å | |
| CAW | CAV | sing | 1.40Å | 1.40Å | Aromatic |
| OAH | HOAH | sing | 0.97Å | 0.95Å | |
| CAJ | CAW | sing | 1.48Å | 1.40Å | |
| N | CAJ | doub | 1.29Å | 1.33Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CA | N | sing | 1.46Å | 1.48Å | |
| C | CA | sing | 1.51Å | 1.55Å | |
| CA | CB | sing | 1.53Å | 1.56Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| O | C | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| OXT | HOXT | sing | 0.97Å | 0.95Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CG | CD | sing | 1.51Å | 1.55Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CG | HGA | sing | 1.09Å | 1.10Å | |
| CD | OE1 | doub | 1.21Å | 1.25Å | |
| CD | OE2 | sing | 1.34Å | 1.26Å | |
| OE2 | HOE2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAE | PAY | OAI | 107.2° | 109.5° |
| OAE | PAY | OAQ | 105.4° | 109.5° |
| OAE | PAY | OAD | 112.4° | 109.5° |
| OAI | PAY | OAQ | 109.9° | 109.5° |
| OAI | PAY | OAD | 111.6° | 109.4° |
| PAY | OAI | HOAI | 109.5° | 113.9° |
| OAQ | PAY | OAD | 110.1° | 109.4° |
| PAY | OAQ | CAN | 122.1° | 123.0° |
| PAY | OAD | HOAD | 109.5° | 114.0° |
| OAQ | CAN | CAU | 110.4° | 109.5° |
| OAQ | CAN | HAN | 109.2° | 109.4° |
| OAQ | CAN | HANA | 108.9° | 109.4° |
| CAU | CAN | HAN | 109.1° | 109.5° |
| CAU | CAN | HANA | 108.9° | 109.5° |
| CAN | CAU | CAW | 125.3° | 120.5° |
| CAN | CAU | CAK | 116.8° | 120.5° |
| HAN | CAN | HANA | 110.2° | 109.5° |
| CAW | CAU | CAK | 117.8° | 119.0° |
| CAU | CAW | CAV | 118.7° | 118.0° |
| CAU | CAW | CAJ | 123.1° | 121.0° |
| CAU | CAK | NAO | 122.1° | 121.1° |
| CAU | CAK | HAK | 118.9° | 119.4° |
| NAO | CAK | HAK | 119.0° | 119.4° |
| CAK | NAO | CAT | 121.3° | 122.1° |
| NAO | CAT | CAV | 119.9° | 120.8° |
| NAO | CAT | CAA | 119.5° | 119.6° |
| CAV | CAT | CAA | 120.6° | 119.6° |
| CAT | CAV | OAH | 119.0° | 120.6° |
| CAT | CAV | CAW | 120.1° | 118.9° |
| CAT | CAA | HAA | 109.5° | 109.5° |
| CAT | CAA | HAAA | 109.5° | 109.4° |
| CAT | CAA | HAAB | 109.4° | 109.4° |
| HAA | CAA | HAAA | 109.4° | 109.4° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| OAH | CAV | CAW | 120.9° | 120.5° |
| CAV | OAH | HOAH | 109.5° | 114.0° |
| CAV | CAW | CAJ | 118.2° | 121.0° |
| CAW | CAJ | N | 118.8° | 120.0° |
| CAW | CAJ | HAJ | 120.6° | 120.0° |
| N | CAJ | HAJ | 120.6° | 120.0° |
| CAJ | N | CA | 123.6° | 120.0° |
| N | CA | C | 108.7° | 109.5° |
| N | CA | CB | 113.1° | 109.5° |
| N | CA | HA | 109.4° | 109.5° |
| C | CA | CB | 114.2° | 109.4° |
| C | CA | HA | 108.1° | 109.5° |
| CA | C | O | 118.5° | 120.0° |
| CA | C | OXT | 117.7° | 120.0° |
| CB | CA | HA | 103.2° | 109.5° |
| CA | CB | CG | 113.8° | 109.5° |
| CA | CB | HB | 108.1° | 109.5° |
| CA | CB | HBA | 107.1° | 109.5° |
| O | C | OXT | 123.7° | 120.0° |
| C | OXT | HOXT | 109.5° | 117.0° |
| CG | CB | HB | 108.1° | 109.5° |
| CG | CB | HBA | 107.1° | 109.4° |
| CB | CG | CD | 115.5° | 109.5° |
| CB | CG | HG | 107.5° | 109.5° |
| CB | CG | HGA | 106.1° | 109.5° |
| HB | CB | HBA | 112.9° | 109.5° |
| CD | CG | HG | 107.5° | 109.5° |
| CD | CG | HGA | 106.1° | 109.4° |
| CG | CD | OE1 | 118.9° | 120.0° |
| CG | CD | OE2 | 116.6° | 120.0° |
| HG | CG | HGA | 114.3° | 109.4° |
| OE1 | CD | OE2 | 124.5° | 120.0° |
| CD | OE2 | HOE2 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAE | PAY | OAI | OAQ | 114.1° | 120.1° |
| OAE | PAY | OAI | OAD | 123.4° | 120.0° |
| OAE | PAY | OAQ | OAD | 121.4° | 120.0° |
| OAE | PAY | OAI | HOAI | 22.6° | 60.0° |
| OAE | PAY | OAD | HOAD | 149.8° | 180.0° |
| OAE | PAY | OAQ | CAN | 100.8° | 54.9° |
| OAI | PAY | OAQ | OAD | 123.3° | 119.9° |
| OAI | PAY | OAD | HOAD | 29.3° | 60.0° |
| OAI | PAY | OAQ | CAN | 144.0° | 175.0° |
| OAQ | PAY | OAI | HOAI | 91.5° | 180.0° |
| OAQ | PAY | OAD | HOAD | 93.0° | 60.0° |
| PAY | OAQ | CAN | CAU | 175.4° | 180.0° |
| PAY | OAQ | CAN | HAN | 64.6° | 60.1° |
| PAY | OAQ | CAN | HANA | 55.8° | 59.9° |
| OAD | PAY | OAI | HOAI | 146.1° | 60.0° |
| OAD | PAY | OAQ | CAN | 20.7° | 65.1° |
| OAQ | CAN | CAU | HAN | 120.0° | 119.9° |
| OAQ | CAN | CAU | HANA | 119.6° | 120.0° |
| OAQ | CAN | HAN | HANA | 119.6° | 120.0° |
| OAQ | CAN | CAU | CAW | 94.6° | 179.7° |
| OAQ | CAN | CAU | CAK | 85.6° | 0.0° |
| CAU | CAN | HAN | HANA | 119.6° | 120.1° |
| CAN | CAU | CAW | CAK | 179.7° | 179.7° |
| CAN | CAU | CAK | NAO | 179.8° | 180.0° |
| CAN | CAU | CAK | HAK | 0.2° | 0.0° |
| CAN | CAU | CAW | CAV | 179.4° | 179.7° |
| CAN | CAU | CAW | CAJ | 1.4° | 0.1° |
| HAN | CAN | CAU | CAW | 25.4° | 59.8° |
| HAN | CAN | CAU | CAK | 154.4° | 119.9° |
| HANA | CAN | CAU | CAW | 145.8° | 60.3° |
| HANA | CAN | CAU | CAK | 34.0° | 120.0° |
| CAW | CAU | CAK | NAO | 0.5° | 0.3° |
| CAW | CAU | CAK | HAK | 179.5° | 179.8° |
| CAU | CAW | CAV | CAT | 0.7° | 0.5° |
| CAU | CAW | CAV | OAH | 179.9° | 179.8° |
| CAU | CAW | CAV | CAJ | 178.1° | 179.8° |
| CAU | CAW | CAJ | N | 140.3° | 180.0° |
| CAU | CAW | CAJ | HAJ | 39.7° | 0.1° |
| CAU | CAK | NAO | HAK | 180.0° | 179.9° |
| CAU | CAK | NAO | CAT | 0.1° | 0.0° |
| CAK | CAU | CAW | CAV | 0.8° | 0.5° |
| CAK | CAU | CAW | CAJ | 178.8° | 179.7° |
| CAK | NAO | CAT | CAV | 0.2° | 0.1° |
| CAK | NAO | CAT | CAA | 179.5° | 180.0° |
| HAK | CAK | NAO | CAT | 179.9° | 179.9° |
| NAO | CAT | CAV | CAA | 179.2° | 179.9° |
| NAO | CAT | CAA | HAA | 143.0° | 90.0° |
| NAO | CAT | CAA | HAAA | 97.0° | 150.0° |
| NAO | CAT | CAA | HAAB | 23.0° | 30.1° |
| NAO | CAT | CAV | OAH | 179.6° | 179.9° |
| NAO | CAT | CAV | CAW | 0.1° | 0.2° |
| CAV | CAT | CAA | HAA | 37.7° | 89.9° |
| CAV | CAT | CAA | HAAA | 82.2° | 30.1° |
| CAV | CAT | CAA | HAAB | 157.8° | 150.0° |
| CAT | CAV | OAH | CAW | 179.4° | 179.7° |
| CAT | CAV | OAH | HOAH | 148.1° | 90.0° |
| CAT | CAV | CAW | CAJ | 178.8° | 179.7° |
| CAT | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAT | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAT | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAT | CAV | OAH | 0.4° | 0.0° |
| CAA | CAT | CAV | CAW | 179.1° | 179.7° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| OAH | CAV | CAW | CAJ | 1.8° | 0.0° |
| CAW | CAV | OAH | HOAH | 32.5° | 89.7° |
| CAV | CAW | CAJ | N | 41.7° | 0.2° |
| CAV | CAW | CAJ | HAJ | 138.3° | 179.7° |
| CAW | CAJ | N | HAJ | 180.0° | 179.9° |
| CAW | CAJ | N | CA | 176.4° | 180.0° |
| CAJ | N | CA | C | 165.5° | 120.0° |
| CAJ | N | CA | CB | 66.5° | 120.1° |
| CAJ | N | CA | HA | 47.8° | 0.1° |
| HAJ | CAJ | N | CA | 3.6° | 0.1° |
| N | CA | C | CB | 127.2° | 120.0° |
| N | CA | C | HA | 118.6° | 120.0° |
| N | CA | CB | HA | 118.0° | 120.0° |
| N | CA | C | O | 178.0° | 0.0° |
| N | CA | C | OXT | 1.5° | 180.0° |
| N | CA | CB | CG | 67.8° | 65.0° |
| N | CA | CB | HB | 172.1° | 55.0° |
| N | CA | CB | HBA | 50.3° | 175.1° |
| C | CA | CB | HA | 117.0° | 120.0° |
| CA | C | O | OXT | 179.5° | 180.0° |
| CA | C | OXT | HOXT | 179.5° | 180.0° |
| C | CA | CB | CG | 57.1° | 175.0° |
| C | CA | CB | HB | 62.9° | 65.0° |
| C | CA | CB | HBA | 175.2° | 55.0° |
| CB | CA | C | O | 50.7° | 120.0° |
| CB | CA | C | OXT | 128.8° | 60.0° |
| CA | CB | CG | HB | 120.0° | 120.1° |
| CA | CB | CG | HBA | 118.1° | 120.0° |
| CA | CB | HB | HBA | 118.2° | 120.1° |
| CA | CB | CG | CD | 105.1° | 180.0° |
| CA | CB | CG | HG | 14.9° | 60.0° |
| CA | CB | CG | HGA | 137.6° | 60.0° |
| HA | CA | C | O | 63.5° | 120.0° |
| HA | CA | C | OXT | 117.1° | 59.9° |
| HA | CA | CB | CG | 174.1° | 55.0° |
| HA | CA | CB | HB | 54.1° | 175.0° |
| HA | CA | CB | HBA | 67.8° | 64.9° |
| O | C | OXT | HOXT | 0.0° | 0.0° |
| CG | CB | HB | HBA | 118.3° | 119.9° |
| CB | CG | CD | HG | 120.0° | 120.1° |
| CB | CG | CD | HGA | 117.3° | 120.0° |
| CB | CG | HG | HGA | 117.5° | 120.0° |
| CB | CG | CD | OE1 | 10.1° | 0.1° |
| CB | CG | CD | OE2 | 170.4° | 180.0° |
| HB | CB | CG | CD | 134.9° | 59.9° |
| HB | CB | CG | HG | 105.1° | 180.0° |
| HB | CB | CG | HGA | 17.6° | 60.0° |
| HBA | CB | CG | CD | 13.0° | 60.0° |
| HBA | CB | CG | HG | 133.0° | 60.0° |
| HBA | CB | CG | HGA | 104.3° | 180.0° |
| CD | CG | HG | HGA | 117.5° | 120.0° |
| CG | CD | OE1 | OE2 | 179.4° | 180.0° |
| CG | CD | OE2 | HOE2 | 179.5° | 180.0° |
| HG | CG | CD | OE1 | 109.9° | 120.0° |
| HG | CG | CD | OE2 | 69.6° | 59.9° |
| HGA | CG | CD | OE1 | 127.4° | 120.1° |
| HGA | CG | CD | OE2 | 53.1° | 60.0° |
| OE1 | CD | OE2 | HOE2 | 0.0° | 0.0° |
