1YE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAG | CAF | doub | 1.39Å | 1.39Å | Aromatic |
| CAG | CAP | sing | 1.38Å | 1.38Å | Aromatic |
| CAK | CAM | sing | 1.51Å | 1.57Å | |
| CAK | CAP | sing | 1.51Å | 1.40Å | |
| CAF | CAI | sing | 1.38Å | 1.37Å | Aromatic |
| CAM | OAC | doub | 1.21Å | 1.24Å | |
| CAM | OAE | sing | 1.34Å | 1.24Å | |
| CAP | CAU | doub | 1.39Å | 1.37Å | Aromatic |
| CAI | CAR | doub | 1.39Å | 1.38Å | Aromatic |
| CAU | CAR | sing | 1.41Å | 1.41Å | Aromatic |
| CAU | OAL | sing | 1.35Å | 1.35Å | |
| CAR | CAQ | sing | 1.48Å | 1.38Å | |
| OAL | CAT | sing | 1.35Å | 1.33Å | |
| CAQ | OAD | doub | 1.22Å | 1.24Å | |
| CAQ | CAS | sing | 1.48Å | 1.40Å | |
| CAT | CAS | doub | 1.40Å | 1.41Å | Aromatic |
| CAT | CAO | sing | 1.39Å | 1.37Å | Aromatic |
| CAB | CAO | sing | 1.51Å | 1.41Å | |
| CAS | CAJ | sing | 1.39Å | 1.38Å | Aromatic |
| CAO | CAN | doub | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAN | CAH | sing | 1.39Å | 1.39Å | Aromatic |
| CAN | CAA | sing | 1.51Å | 1.43Å | |
| CAJ | H1 | sing | 1.08Å | 1.08Å | |
| CAH | H2 | sing | 1.08Å | 1.08Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAA | H4 | sing | 1.09Å | 1.10Å | |
| CAA | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAB | H7 | sing | 1.09Å | 1.10Å | |
| CAB | H8 | sing | 1.09Å | 1.10Å | |
| CAI | H9 | sing | 1.08Å | 1.08Å | |
| CAF | H10 | sing | 1.08Å | 1.08Å | |
| CAG | H11 | sing | 1.08Å | 1.08Å | |
| CAK | H12 | sing | 1.09Å | 1.10Å | |
| CAK | H13 | sing | 1.09Å | 1.10Å | |
| OAE | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAF | CAG | CAP | 122.7° | 120.8° |
| CAG | CAF | CAI | 120.4° | 120.1° |
| CAG | CAF | H10 | 119.8° | 119.9° |
| CAF | CAG | H11 | 118.7° | 119.6° |
| CAG | CAP | CAK | 121.7° | 119.9° |
| CAG | CAP | CAU | 116.0° | 120.1° |
| CAP | CAG | H11 | 118.7° | 119.5° |
| CAM | CAK | CAP | 113.8° | 109.5° |
| CAK | CAM | OAC | 116.7° | 120.0° |
| CAK | CAM | OAE | 121.7° | 120.0° |
| CAM | CAK | H12 | 108.4° | 109.5° |
| CAM | CAK | H13 | 108.4° | 109.5° |
| CAK | CAP | CAU | 122.3° | 120.0° |
| CAP | CAK | H12 | 108.4° | 109.5° |
| CAP | CAK | H13 | 108.4° | 109.5° |
| CAF | CAI | CAR | 118.6° | 119.6° |
| CAF | CAI | H9 | 120.7° | 120.2° |
| CAI | CAF | H10 | 119.8° | 120.0° |
| OAC | CAM | OAE | 121.6° | 120.0° |
| CAM | OAE | H14 | 109.5° | 117.0° |
| CAP | CAU | CAR | 122.6° | 118.9° |
| CAP | CAU | OAL | 115.4° | 120.0° |
| CAI | CAR | CAU | 119.8° | 120.6° |
| CAI | CAR | CAQ | 118.9° | 121.1° |
| CAR | CAI | H9 | 120.7° | 120.3° |
| CAR | CAU | OAL | 122.0° | 121.2° |
| CAU | CAR | CAQ | 121.3° | 118.3° |
| CAU | OAL | CAT | 117.7° | 122.0° |
| CAR | CAQ | OAD | 120.9° | 122.1° |
| CAR | CAQ | CAS | 115.1° | 115.8° |
| OAL | CAT | CAS | 122.0° | 121.1° |
| OAL | CAT | CAO | 113.8° | 120.0° |
| OAD | CAQ | CAS | 124.0° | 122.1° |
| CAQ | CAS | CAT | 121.2° | 118.4° |
| CAQ | CAS | CAJ | 120.7° | 121.0° |
| CAS | CAT | CAO | 124.2° | 118.8° |
| CAT | CAS | CAJ | 118.0° | 120.6° |
| CAT | CAO | CAB | 119.2° | 119.9° |
| CAT | CAO | CAN | 117.2° | 120.2° |
| CAB | CAO | CAN | 123.5° | 120.0° |
| CAO | CAB | H6 | 109.5° | 109.4° |
| CAO | CAB | H7 | 109.5° | 109.5° |
| CAO | CAB | H8 | 109.4° | 109.4° |
| CAS | CAJ | CAH | 118.5° | 119.6° |
| CAS | CAJ | H1 | 120.7° | 120.2° |
| CAO | CAN | CAH | 119.0° | 120.8° |
| CAO | CAN | CAA | 123.3° | 119.6° |
| CAJ | CAH | CAN | 122.9° | 120.1° |
| CAH | CAJ | H1 | 120.7° | 120.2° |
| CAJ | CAH | H2 | 118.6° | 120.0° |
| CAH | CAN | CAA | 117.6° | 119.6° |
| CAN | CAH | H2 | 118.6° | 119.9° |
| CAN | CAA | H3 | 109.5° | 109.5° |
| CAN | CAA | H4 | 109.5° | 109.5° |
| CAN | CAA | H5 | 109.4° | 109.4° |
| H3 | CAA | H4 | 109.4° | 109.5° |
| H3 | CAA | H5 | 109.5° | 109.5° |
| H4 | CAA | H5 | 109.5° | 109.5° |
| H6 | CAB | H7 | 109.5° | 109.5° |
| H6 | CAB | H8 | 109.5° | 109.5° |
| H7 | CAB | H8 | 109.5° | 109.5° |
| H12 | CAK | H13 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAF | CAG | CAP | H11 | 180.0° | 179.4° |
| CAF | CAG | CAP | CAK | 179.9° | 180.0° |
| CAG | CAF | CAI | H10 | 180.0° | 180.0° |
| CAF | CAG | CAP | CAU | 1.2° | 1.2° |
| CAG | CAF | CAI | CAR | 0.7° | 0.1° |
| CAG | CAF | CAI | H9 | 179.3° | 180.0° |
| CAG | CAP | CAK | CAM | 120.5° | 95.0° |
| CAG | CAP | CAK | CAU | 178.5° | 178.8° |
| CAP | CAG | CAF | CAI | 0.1° | 0.5° |
| CAG | CAP | CAU | CAR | 2.0° | 1.3° |
| CAG | CAP | CAU | OAL | 179.0° | 179.2° |
| CAP | CAG | CAF | H10 | 179.9° | 179.5° |
| CAG | CAP | CAK | H12 | 118.8° | 25.0° |
| CAG | CAP | CAK | H13 | 0.2° | 145.0° |
| CAM | CAK | CAP | H12 | 120.6° | 120.0° |
| CAM | CAK | CAP | H13 | 120.7° | 120.0° |
| CAK | CAM | OAC | OAE | 179.9° | 179.9° |
| CAM | CAK | CAP | CAU | 60.9° | 86.2° |
| CAM | CAK | H12 | H13 | 118.0° | 120.0° |
| CAK | CAM | OAE | H14 | 179.9° | 179.9° |
| CAP | CAK | CAM | OAC | 158.0° | 0.0° |
| CAP | CAK | CAM | OAE | 22.1° | 180.0° |
| CAK | CAP | CAU | CAR | 179.4° | 179.8° |
| CAK | CAP | CAU | OAL | 0.4° | 0.4° |
| CAK | CAP | CAG | H11 | 0.1° | 0.7° |
| CAP | CAK | H12 | H13 | 118.0° | 120.0° |
| CAF | CAI | CAR | H9 | 180.0° | 179.9° |
| CAF | CAI | CAR | CAU | 0.1° | 0.3° |
| CAF | CAI | CAR | CAQ | 179.0° | 179.8° |
| CAI | CAF | CAG | H11 | 180.0° | 179.9° |
| OAC | CAM | CAK | H12 | 37.3° | 120.0° |
| OAC | CAM | CAK | H13 | 81.4° | 120.0° |
| OAC | CAM | OAE | H14 | 0.0° | 0.0° |
| OAE | CAM | CAK | H12 | 142.8° | 60.0° |
| OAE | CAM | CAK | H13 | 98.5° | 60.0° |
| CAP | CAU | CAR | CAI | 1.5° | 0.9° |
| CAP | CAU | CAR | OAL | 178.9° | 179.5° |
| CAP | CAU | CAR | CAQ | 179.6° | 179.5° |
| CAP | CAU | OAL | CAT | 172.9° | 164.4° |
| CAU | CAP | CAG | H11 | 178.7° | 179.5° |
| CAU | CAP | CAK | H12 | 59.7° | 153.8° |
| CAU | CAP | CAK | H13 | 178.4° | 33.8° |
| CAI | CAR | CAU | CAQ | 178.9° | 179.6° |
| CAI | CAR | CAU | OAL | 179.6° | 179.6° |
| CAI | CAR | CAQ | OAD | 4.7° | 12.8° |
| CAI | CAR | CAQ | CAS | 175.1° | 167.0° |
| CAR | CAI | CAF | H10 | 179.3° | 180.0° |
| CAR | CAU | OAL | CAT | 6.1° | 15.1° |
| CAU | CAR | CAQ | OAD | 174.2° | 166.8° |
| CAU | CAR | CAQ | CAS | 6.0° | 13.5° |
| CAU | CAR | CAI | H9 | 179.9° | 179.8° |
| OAL | CAU | CAR | CAQ | 0.7° | 0.1° |
| CAU | OAL | CAT | CAS | 7.2° | 15.5° |
| CAU | OAL | CAT | CAO | 173.9° | 164.8° |
| CAR | CAQ | OAD | CAS | 179.8° | 179.7° |
| CAR | CAQ | CAS | CAT | 4.9° | 13.1° |
| CAR | CAQ | CAS | CAJ | 173.9° | 166.8° |
| CAQ | CAR | CAI | H9 | 1.0° | 0.2° |
| OAL | CAT | CAS | CAQ | 1.7° | 0.8° |
| OAL | CAT | CAS | CAO | 178.7° | 179.7° |
| OAL | CAT | CAO | CAB | 0.1° | 0.5° |
| OAL | CAT | CAS | CAJ | 179.4° | 179.3° |
| OAL | CAT | CAO | CAN | 178.8° | 179.4° |
| OAD | CAQ | CAS | CAT | 175.3° | 167.2° |
| OAD | CAQ | CAS | CAJ | 5.9° | 12.9° |
| CAQ | CAS | CAT | CAJ | 178.8° | 179.9° |
| CAQ | CAS | CAT | CAO | 179.5° | 179.6° |
| CAQ | CAS | CAJ | CAH | 178.9° | 179.7° |
| CAQ | CAS | CAJ | H1 | 1.0° | 0.3° |
| CAS | CAT | CAO | CAB | 178.7° | 179.8° |
| CAS | CAT | CAO | CAN | 0.0° | 0.3° |
| CAT | CAS | CAJ | CAH | 0.1° | 0.2° |
| CAT | CAS | CAJ | H1 | 179.9° | 179.8° |
| CAT | CAO | CAB | CAN | 178.7° | 179.9° |
| CAO | CAT | CAS | CAJ | 0.7° | 0.4° |
| CAT | CAO | CAN | CAH | 1.2° | 0.0° |
| CAT | CAO | CAN | CAA | 179.0° | 180.0° |
| CAT | CAO | CAB | H6 | 89.4° | 90.1° |
| CAT | CAO | CAB | H7 | 150.6° | 30.0° |
| CAT | CAO | CAB | H8 | 30.6° | 150.0° |
| CAB | CAO | CAN | CAH | 180.0° | 180.0° |
| CAB | CAO | CAN | CAA | 2.2° | 0.0° |
| CAO | CAB | H6 | H7 | 120.0° | 120.0° |
| CAO | CAB | H6 | H8 | 120.0° | 119.9° |
| CAO | CAB | H7 | H8 | 120.0° | 119.9° |
| CAS | CAJ | CAH | H1 | 180.0° | 180.0° |
| CAS | CAJ | CAH | CAN | 1.2° | 0.1° |
| CAS | CAJ | CAH | H2 | 178.8° | 180.0° |
| CAO | CAN | CAH | CAJ | 1.9° | 0.2° |
| CAO | CAN | CAH | CAA | 177.9° | 180.0° |
| CAO | CAN | CAH | H2 | 178.1° | 179.9° |
| CAO | CAN | CAA | H3 | 91.2° | 90.0° |
| CAO | CAN | CAA | H4 | 148.8° | 30.0° |
| CAO | CAN | CAA | H5 | 28.8° | 150.0° |
| CAN | CAO | CAB | H6 | 89.3° | 90.0° |
| CAN | CAO | CAB | H7 | 30.7° | 150.0° |
| CAN | CAO | CAB | H8 | 150.7° | 30.0° |
| CAJ | CAH | CAN | H2 | 180.0° | 180.0° |
| CAJ | CAH | CAN | CAA | 179.8° | 179.9° |
| CAN | CAH | CAJ | H1 | 178.8° | 180.0° |
| CAH | CAN | CAA | H3 | 90.9° | 90.0° |
| CAH | CAN | CAA | H4 | 29.0° | 149.9° |
| CAH | CAN | CAA | H5 | 149.0° | 30.0° |
| CAA | CAN | CAH | H2 | 0.2° | 0.1° |
| CAN | CAA | H3 | H4 | 120.0° | 120.0° |
| CAN | CAA | H3 | H5 | 120.0° | 120.0° |
| CAN | CAA | H4 | H5 | 120.0° | 120.0° |
| H1 | CAJ | CAH | H2 | 1.2° | 0.0° |
| H3 | CAA | H4 | H5 | 120.0° | 120.0° |
| H6 | CAB | H7 | H8 | 120.0° | 120.1° |
| H9 | CAI | CAF | H10 | 0.7° | 0.0° |
| H10 | CAF | CAG | H11 | 0.1° | 0.1° |
