A1ELH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAG | CAI | doub | 1.38Å | 1.40Å | Aromatic |
| CAG | CAK | sing | 1.38Å | 1.40Å | Aromatic |
| CAI | CAU | sing | 1.38Å | 1.41Å | Aromatic |
| CAK | CAW | doub | 1.39Å | 1.43Å | Aromatic |
| CAU | BRAF | sing | 1.89Å | 1.87Å | |
| CAU | CAM | doub | 1.38Å | 1.40Å | Aromatic |
| CAW | CAM | sing | 1.40Å | 1.41Å | Aromatic |
| CAW | CAT | sing | 1.48Å | 1.42Å | |
| NAQ | CAT | sing | 1.35Å | 1.35Å | |
| NAQ | CAY | sing | 1.39Å | 1.36Å | |
| CAT | OAC | doub | 1.22Å | 1.25Å | |
| NAO | CAY | doub | 1.30Å | 1.34Å | Aromatic |
| NAO | NAP | sing | 1.26Å | 1.22Å | Aromatic |
| CAY | SAS | sing | 1.76Å | 1.74Å | Aromatic |
| NAP | CAZ | doub | 1.29Å | 1.34Å | Aromatic |
| SAS | CAZ | sing | 1.76Å | 1.68Å | Aromatic |
| CAZ | SBB | sing | 1.76Å | 1.74Å | |
| OAE | SBB | doub | 1.42Å | 1.49Å | |
| SBB | NAR | sing | 1.66Å | 1.64Å | |
| SBB | OAD | doub | 1.42Å | 1.49Å | |
| CAJ | CAH | doub | 1.38Å | 1.41Å | Aromatic |
| CAJ | CAV | sing | 1.39Å | 1.42Å | Aromatic |
| CAH | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| NAR | CAV | sing | 1.40Å | 1.36Å | |
| CAV | CAN | doub | 1.39Å | 1.40Å | Aromatic |
| CAL | CAX | doub | 1.39Å | 1.41Å | Aromatic |
| CAN | CAX | sing | 1.39Å | 1.42Å | Aromatic |
| CAX | NBA | sing | 1.40Å | 1.35Å | |
| NBA | CAA | sing | 1.46Å | 1.49Å | |
| NBA | CAB | sing | 1.46Å | 1.48Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAG | H7 | sing | 1.08Å | 1.08Å | |
| CAH | H8 | sing | 1.08Å | 1.08Å | |
| CAI | H9 | sing | 1.08Å | 1.08Å | |
| CAJ | H10 | sing | 1.08Å | 1.08Å | |
| CAK | H11 | sing | 1.08Å | 1.08Å | |
| CAL | H12 | sing | 1.08Å | 1.08Å | |
| CAM | H13 | sing | 1.08Å | 1.08Å | |
| CAN | H14 | sing | 1.08Å | 1.08Å | |
| NAQ | H15 | sing | 0.97Å | 1.00Å | |
| NAR | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAI | CAG | CAK | 119.3° | 120.1° |
| CAG | CAI | CAU | 118.1° | 120.3° |
| CAI | CAG | H7 | 120.3° | 119.9° |
| CAG | CAI | H9 | 120.9° | 119.8° |
| CAG | CAK | CAW | 123.1° | 119.8° |
| CAK | CAG | H7 | 120.3° | 119.9° |
| CAG | CAK | H11 | 118.5° | 120.1° |
| CAI | CAU | BRAF | 120.4° | 119.9° |
| CAI | CAU | CAM | 123.1° | 120.1° |
| CAU | CAI | H9 | 120.9° | 119.9° |
| CAK | CAW | CAM | 117.0° | 119.8° |
| CAK | CAW | CAT | 119.0° | 120.1° |
| CAW | CAK | H11 | 118.4° | 120.1° |
| BRAF | CAU | CAM | 116.6° | 120.0° |
| CAU | CAM | CAW | 119.3° | 119.8° |
| CAU | CAM | H13 | 120.4° | 120.1° |
| CAM | CAW | CAT | 123.8° | 120.1° |
| CAW | CAM | H13 | 120.3° | 120.1° |
| CAW | CAT | NAQ | 117.2° | 120.1° |
| CAW | CAT | OAC | 118.8° | 119.9° |
| CAT | NAQ | CAY | 121.1° | 120.0° |
| NAQ | CAT | OAC | 123.9° | 120.0° |
| CAT | NAQ | H15 | 119.4° | 119.9° |
| NAQ | CAY | NAO | 124.6° | 126.1° |
| NAQ | CAY | SAS | 124.7° | 126.2° |
| CAY | NAQ | H15 | 119.5° | 120.0° |
| CAY | NAO | NAP | 113.4° | 117.6° |
| NAO | CAY | SAS | 110.5° | 107.7° |
| NAO | NAP | CAZ | 117.7° | 118.0° |
| CAY | SAS | CAZ | 87.9° | 88.9° |
| NAP | CAZ | SAS | 110.4° | 107.8° |
| NAP | CAZ | SBB | 125.4° | 126.1° |
| SAS | CAZ | SBB | 124.2° | 126.1° |
| CAZ | SBB | OAE | 106.8° | 106.5° |
| CAZ | SBB | NAR | 113.0° | 107.2° |
| CAZ | SBB | OAD | 102.4° | 106.4° |
| OAE | SBB | NAR | 108.9° | 106.4° |
| OAE | SBB | OAD | 116.0° | 123.2° |
| NAR | SBB | OAD | 109.7° | 106.4° |
| SBB | NAR | CAV | 117.5° | 120.0° |
| SBB | NAR | H16 | 107.5° | 119.9° |
| CAH | CAJ | CAV | 121.7° | 120.1° |
| CAJ | CAH | CAL | 119.2° | 120.2° |
| CAJ | CAH | H8 | 120.4° | 119.9° |
| CAH | CAJ | H10 | 119.1° | 120.0° |
| CAJ | CAV | NAR | 119.2° | 120.0° |
| CAJ | CAV | CAN | 117.9° | 119.9° |
| CAV | CAJ | H10 | 119.2° | 120.0° |
| CAH | CAL | CAX | 120.9° | 120.0° |
| CAL | CAH | H8 | 120.4° | 119.9° |
| CAH | CAL | H12 | 119.6° | 120.0° |
| NAR | CAV | CAN | 122.9° | 120.0° |
| CAV | NAR | H16 | 107.4° | 120.1° |
| CAV | CAN | CAX | 121.2° | 119.9° |
| CAV | CAN | H14 | 119.4° | 120.1° |
| CAL | CAX | CAN | 119.0° | 119.9° |
| CAL | CAX | NBA | 122.5° | 120.0° |
| CAX | CAL | H12 | 119.5° | 119.9° |
| CAN | CAX | NBA | 118.4° | 120.0° |
| CAX | CAN | H14 | 119.4° | 120.1° |
| CAX | NBA | CAA | 123.6° | 120.0° |
| CAX | NBA | CAB | 114.5° | 120.0° |
| CAA | NBA | CAB | 120.9° | 120.0° |
| NBA | CAA | H1 | 109.5° | 109.5° |
| NBA | CAA | H2 | 109.5° | 109.5° |
| NBA | CAA | H3 | 109.5° | 109.5° |
| NBA | CAB | H4 | 109.5° | 109.5° |
| NBA | CAB | H5 | 109.5° | 109.5° |
| NBA | CAB | H6 | 109.5° | 109.5° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.4° |
| H2 | CAA | H3 | 109.4° | 109.5° |
| H4 | CAB | H5 | 109.5° | 109.5° |
| H4 | CAB | H6 | 109.5° | 109.5° |
| H5 | CAB | H6 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAI | CAG | CAK | H7 | 180.0° | 179.8° |
| CAG | CAI | CAU | H9 | 180.0° | 179.9° |
| CAI | CAG | CAK | CAW | 0.2° | 0.0° |
| CAG | CAI | CAU | BRAF | 179.9° | 180.0° |
| CAG | CAI | CAU | CAM | 0.8° | 0.1° |
| CAI | CAG | CAK | H11 | 179.8° | 180.0° |
| CAK | CAG | CAI | CAU | 0.0° | 0.1° |
| CAG | CAK | CAW | H11 | 180.0° | 179.9° |
| CAG | CAK | CAW | CAM | 0.4° | 0.0° |
| CAG | CAK | CAW | CAT | 176.0° | 180.0° |
| CAK | CAG | CAI | H9 | 180.0° | 180.0° |
| CAI | CAU | BRAF | CAM | 179.3° | 179.9° |
| CAI | CAU | CAM | CAW | 1.4° | 0.1° |
| CAU | CAI | CAG | H7 | 180.0° | 179.7° |
| CAI | CAU | CAM | H13 | 178.6° | 180.0° |
| CAK | CAW | CAM | CAU | 1.2° | 0.1° |
| CAK | CAW | CAM | CAT | 175.4° | 180.0° |
| CAK | CAW | CAT | NAQ | 38.2° | 180.0° |
| CAK | CAW | CAT | OAC | 138.1° | 0.0° |
| CAW | CAK | CAG | H7 | 179.8° | 179.8° |
| CAK | CAW | CAM | H13 | 178.8° | 180.0° |
| BRAF | CAU | CAM | CAW | 179.3° | 180.0° |
| BRAF | CAU | CAI | H9 | 0.1° | 0.1° |
| BRAF | CAU | CAM | H13 | 0.7° | 0.1° |
| CAU | CAM | CAW | H13 | 180.0° | 179.9° |
| CAU | CAM | CAW | CAT | 176.6° | 179.9° |
| CAM | CAU | CAI | H9 | 179.2° | 180.0° |
| CAM | CAW | CAT | NAQ | 146.5° | 0.0° |
| CAM | CAW | CAT | OAC | 37.2° | 180.0° |
| CAM | CAW | CAK | H11 | 179.6° | 180.0° |
| CAW | CAT | NAQ | OAC | 176.1° | 180.0° |
| CAW | CAT | NAQ | CAY | 173.8° | 180.0° |
| CAT | CAW | CAK | H11 | 4.0° | 0.0° |
| CAT | CAW | CAM | H13 | 3.4° | 0.0° |
| CAW | CAT | NAQ | H15 | 6.2° | 0.0° |
| CAT | NAQ | CAY | H15 | 180.0° | 180.0° |
| CAT | NAQ | CAY | NAO | 174.7° | 0.4° |
| CAT | NAQ | CAY | SAS | 0.4° | 180.0° |
| CAY | NAQ | CAT | OAC | 2.3° | 0.0° |
| NAQ | CAY | NAO | SAS | 175.0° | 179.6° |
| NAQ | CAY | NAO | NAP | 178.8° | 179.7° |
| NAQ | CAY | SAS | CAZ | 176.4° | 179.7° |
| OAC | CAT | NAQ | H15 | 177.7° | 180.0° |
| CAY | NAO | NAP | CAZ | 4.9° | 0.1° |
| NAO | CAY | SAS | CAZ | 1.4° | 0.1° |
| NAO | CAY | NAQ | H15 | 5.3° | 179.6° |
| NAP | NAO | CAY | SAS | 3.8° | 0.1° |
| NAO | NAP | CAZ | SAS | 3.7° | 0.0° |
| NAO | NAP | CAZ | SBB | 175.8° | 180.0° |
| CAY | SAS | CAZ | NAP | 1.0° | 0.0° |
| CAY | SAS | CAZ | SBB | 178.4° | 180.0° |
| SAS | CAY | NAQ | H15 | 179.6° | 0.0° |
| NAP | CAZ | SAS | SBB | 179.4° | 180.0° |
| NAP | CAZ | SBB | OAE | 59.5° | 83.5° |
| NAP | CAZ | SBB | NAR | 60.2° | 30.1° |
| NAP | CAZ | SBB | OAD | 178.1° | 143.6° |
| SAS | CAZ | SBB | OAE | 119.9° | 96.5° |
| SAS | CAZ | SBB | NAR | 120.5° | 150.0° |
| SAS | CAZ | SBB | OAD | 2.5° | 36.5° |
| CAZ | SBB | OAE | NAR | 122.3° | 114.1° |
| CAZ | SBB | OAE | OAD | 113.4° | 123.0° |
| CAZ | SBB | NAR | OAD | 113.6° | 113.5° |
| CAZ | SBB | NAR | CAV | 67.1° | 65.0° |
| CAZ | SBB | NAR | H16 | 171.7° | 115.0° |
| OAE | SBB | NAR | OAD | 127.9° | 132.9° |
| OAE | SBB | NAR | CAV | 174.4° | 178.6° |
| OAE | SBB | NAR | H16 | 53.3° | 1.4° |
| SBB | NAR | CAV | CAJ | 83.5° | 45.0° |
| SBB | NAR | CAV | H16 | 121.2° | 180.0° |
| SBB | NAR | CAV | CAN | 94.7° | 135.0° |
| OAD | SBB | NAR | CAV | 46.5° | 48.5° |
| OAD | SBB | NAR | H16 | 74.7° | 131.5° |
| CAH | CAJ | CAV | H10 | 180.0° | 180.0° |
| CAJ | CAH | CAL | H8 | 180.0° | 179.8° |
| CAH | CAJ | CAV | NAR | 179.2° | 180.0° |
| CAH | CAJ | CAV | CAN | 0.9° | 0.0° |
| CAJ | CAH | CAL | CAX | 0.3° | 0.3° |
| CAJ | CAH | CAL | H12 | 179.8° | 179.7° |
| CAV | CAJ | CAH | CAL | 1.4° | 0.0° |
| CAJ | CAV | NAR | CAN | 178.2° | 180.0° |
| CAJ | CAV | CAN | CAX | 0.8° | 0.3° |
| CAV | CAJ | CAH | H8 | 178.6° | 179.8° |
| CAJ | CAV | CAN | H14 | 179.2° | 179.8° |
| CAJ | CAV | NAR | H16 | 155.3° | 135.0° |
| CAH | CAL | CAX | H12 | 180.0° | 180.0° |
| CAH | CAL | CAX | CAN | 1.3° | 0.6° |
| CAH | CAL | CAX | NBA | 177.0° | 180.0° |
| CAL | CAH | CAJ | H10 | 178.6° | 180.0° |
| NAR | CAV | CAN | CAX | 177.4° | 179.7° |
| NAR | CAV | CAJ | H10 | 0.9° | 0.0° |
| NAR | CAV | CAN | H14 | 2.6° | 0.2° |
| CAV | CAN | CAX | CAL | 1.9° | 0.6° |
| CAV | CAN | CAX | H14 | 180.0° | 179.5° |
| CAV | CAN | CAX | NBA | 177.7° | 180.0° |
| CAN | CAV | CAJ | H10 | 179.2° | 180.0° |
| CAN | CAV | NAR | H16 | 26.5° | 45.0° |
| CAL | CAX | CAN | NBA | 175.9° | 179.4° |
| CAL | CAX | NBA | CAA | 1.5° | 0.1° |
| CAL | CAX | NBA | CAB | 170.7° | 180.0° |
| CAX | CAL | CAH | H8 | 179.8° | 179.9° |
| CAL | CAX | CAN | H14 | 178.1° | 180.0° |
| CAN | CAX | NBA | CAA | 174.2° | 179.4° |
| CAN | CAX | NBA | CAB | 5.0° | 0.6° |
| CAN | CAX | CAL | H12 | 178.6° | 179.4° |
| CAX | NBA | CAA | CAB | 168.6° | 180.0° |
| CAX | NBA | CAA | H1 | 180.0° | 60.0° |
| CAX | NBA | CAA | H2 | 60.0° | 180.0° |
| CAX | NBA | CAA | H3 | 60.0° | 60.0° |
| CAX | NBA | CAB | H4 | 180.0° | 90.0° |
| CAX | NBA | CAB | H5 | 60.0° | 150.0° |
| CAX | NBA | CAB | H6 | 60.0° | 30.0° |
| NBA | CAX | CAL | H12 | 3.0° | 0.0° |
| NBA | CAX | CAN | H14 | 2.3° | 0.6° |
| NBA | CAA | H1 | H2 | 120.0° | 120.0° |
| NBA | CAA | H1 | H3 | 120.0° | 120.0° |
| NBA | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | NBA | CAB | H4 | 10.5° | 90.0° |
| CAA | NBA | CAB | H5 | 130.5° | 30.0° |
| CAA | NBA | CAB | H6 | 109.5° | 150.0° |
| CAB | NBA | CAA | H1 | 11.5° | 120.0° |
| CAB | NBA | CAA | H2 | 108.6° | 0.0° |
| CAB | NBA | CAA | H3 | 131.5° | 120.0° |
| NBA | CAB | H4 | H5 | 120.0° | 120.0° |
| NBA | CAB | H4 | H6 | 120.0° | 120.0° |
| NBA | CAB | H5 | H6 | 120.0° | 120.0° |
| H1 | CAA | H2 | H3 | 120.0° | 119.9° |
| H4 | CAB | H5 | H6 | 120.0° | 120.0° |
| H7 | CAG | CAI | H9 | 0.1° | 0.2° |
| H7 | CAG | CAK | H11 | 0.2° | 0.2° |
| H8 | CAH | CAJ | H10 | 1.4° | 0.2° |
| H8 | CAH | CAL | H12 | 0.2° | 0.1° |
