HDX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAO | doub | 1.22Å | 1.26Å | |
| OAB | PAS | sing | 1.61Å | 1.51Å | |
| OAC | PAT | sing | 1.61Å | 1.52Å | |
| OAD | CAQ | sing | 1.36Å | 1.37Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å | |
| OAE | PAS | doub | 1.48Å | 1.51Å | |
| OAF | PAS | sing | 1.61Å | 1.53Å | |
| OAG | PAT | sing | 1.61Å | 1.52Å | |
| OAH | PAT | doub | 1.48Å | 1.51Å | |
| CAI | CAJ | doub | 1.35Å | 1.40Å | |
| CAI | CAP | sing | 1.40Å | 1.40Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | NAR | sing | 1.36Å | 1.35Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | CAL | sing | 1.53Å | 1.54Å | |
| CAK | OAN | sing | 1.43Å | 1.44Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAKA | sing | 1.09Å | 1.10Å | |
| CAL | CAP | sing | 1.51Å | 1.52Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAL | HALA | sing | 1.09Å | 1.10Å | |
| CAM | NAR | sing | 1.46Å | 1.46Å | |
| CAM | PAS | sing | 1.82Å | 1.79Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAMA | sing | 1.09Å | 1.10Å | |
| OAN | PAT | sing | 1.61Å | 1.63Å | |
| CAO | CAQ | sing | 1.41Å | 1.40Å | |
| CAO | NAR | sing | 1.35Å | 1.43Å | |
| CAP | CAQ | doub | 1.37Å | 1.40Å | |
| OAB | H10 | sing | 0.97Å | 0.95Å | |
| OAC | H11 | sing | 0.97Å | 0.95Å | |
| OAF | H12 | sing | 0.97Å | 0.95Å | |
| OAG | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAO | CAQ | 120.7° | 120.0° |
| OAA | CAO | NAR | 119.2° | 120.0° |
| OAB | PAS | OAE | 112.9° | 109.5° |
| OAB | PAS | OAF | 111.1° | 109.5° |
| OAB | PAS | CAM | 106.5° | 109.4° |
| PAS | OAB | H10 | 109.5° | 114.0° |
| OAC | PAT | OAG | 115.2° | 109.5° |
| OAC | PAT | OAH | 115.0° | 109.5° |
| OAC | PAT | OAN | 102.3° | 109.5° |
| PAT | OAC | H11 | 109.5° | 114.0° |
| CAQ | OAD | HOAD | 109.5° | 114.0° |
| OAD | CAQ | CAO | 119.1° | 120.4° |
| OAD | CAQ | CAP | 121.5° | 120.4° |
| OAE | PAS | OAF | 113.7° | 109.5° |
| OAE | PAS | CAM | 110.0° | 109.5° |
| OAF | PAS | CAM | 101.9° | 109.5° |
| PAS | OAF | H12 | 109.5° | 114.0° |
| OAG | PAT | OAH | 111.7° | 109.5° |
| OAG | PAT | OAN | 106.1° | 109.4° |
| PAT | OAG | H13 | 109.5° | 114.0° |
| OAH | PAT | OAN | 105.1° | 109.5° |
| CAJ | CAI | CAP | 120.8° | 120.0° |
| CAJ | CAI | HAI | 119.6° | 120.0° |
| CAI | CAJ | NAR | 121.1° | 120.8° |
| CAI | CAJ | HAJ | 119.5° | 119.6° |
| CAP | CAI | HAI | 119.6° | 120.0° |
| CAI | CAP | CAL | 118.3° | 120.3° |
| CAI | CAP | CAQ | 119.1° | 119.2° |
| NAR | CAJ | HAJ | 119.5° | 119.6° |
| CAJ | NAR | CAM | 121.9° | 119.6° |
| CAJ | NAR | CAO | 119.5° | 120.7° |
| CAL | CAK | OAN | 111.2° | 109.5° |
| CAL | CAK | HAK | 108.9° | 109.5° |
| CAL | CAK | HAKA | 108.9° | 109.4° |
| CAK | CAL | CAP | 111.7° | 109.5° |
| CAK | CAL | HAL | 108.7° | 109.4° |
| CAK | CAL | HALA | 108.7° | 109.5° |
| OAN | CAK | HAK | 108.9° | 109.5° |
| OAN | CAK | HAKA | 108.9° | 109.5° |
| CAK | OAN | PAT | 124.1° | 123.0° |
| HAK | CAK | HAKA | 110.0° | 109.5° |
| CAP | CAL | HAL | 108.7° | 109.4° |
| CAP | CAL | HALA | 108.7° | 109.5° |
| CAL | CAP | CAQ | 122.6° | 120.4° |
| HAL | CAL | HALA | 110.2° | 109.5° |
| NAR | CAM | PAS | 116.0° | 109.5° |
| NAR | CAM | HAM | 107.4° | 109.4° |
| NAR | CAM | HAMA | 107.3° | 109.5° |
| CAM | NAR | CAO | 118.6° | 119.7° |
| PAS | CAM | HAM | 107.3° | 109.5° |
| PAS | CAM | HAMA | 107.4° | 109.5° |
| HAM | CAM | HAMA | 111.5° | 109.4° |
| CAQ | CAO | NAR | 120.1° | 120.0° |
| CAO | CAQ | CAP | 119.5° | 119.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAO | CAQ | OAD | 0.6° | 0.1° |
| OAA | CAO | NAR | CAJ | 179.1° | 180.0° |
| OAA | CAO | NAR | CAM | 1.0° | 0.1° |
| OAA | CAO | CAQ | NAR | 179.1° | 179.9° |
| OAA | CAO | CAQ | CAP | 178.8° | 180.0° |
| OAB | PAS | OAE | OAF | 127.7° | 120.1° |
| OAB | PAS | OAE | CAM | 118.7° | 120.0° |
| OAB | PAS | OAF | CAM | 113.1° | 120.0° |
| OAB | PAS | CAM | NAR | 71.8° | 65.0° |
| OAB | PAS | CAM | HAM | 168.2° | 55.0° |
| OAB | PAS | CAM | HAMA | 48.1° | 175.0° |
| OAB | PAS | OAF | H12 | 128.6° | 60.1° |
| OAC | PAT | OAG | OAH | 133.6° | 120.0° |
| OAC | PAT | OAG | OAN | 112.4° | 120.0° |
| OAC | PAT | OAH | OAN | 111.7° | 120.0° |
| OAC | PAT | OAN | CAK | 109.9° | 65.0° |
| OAC | PAT | OAG | H13 | 133.6° | 60.0° |
| OAD | CAQ | CAP | CAI | 179.9° | 179.9° |
| OAD | CAQ | CAP | CAL | 0.2° | 0.0° |
| OAD | CAQ | CAO | CAP | 179.4° | 179.9° |
| OAD | CAQ | CAO | NAR | 179.6° | 180.0° |
| HOAD | OAD | CAQ | CAO | 0.3° | 0.1° |
| HOAD | OAD | CAQ | CAP | 179.1° | 180.0° |
| OAE | PAS | OAF | CAM | 118.3° | 120.0° |
| OAE | PAS | CAM | NAR | 50.7° | 55.0° |
| OAE | PAS | CAM | HAM | 69.3° | 175.0° |
| OAE | PAS | CAM | HAMA | 170.7° | 65.0° |
| OAE | PAS | OAB | H10 | 0.0° | 180.0° |
| OAE | PAS | OAF | H12 | 0.0° | 60.0° |
| OAF | PAS | CAM | NAR | 171.7° | 175.0° |
| OAF | PAS | CAM | HAM | 51.7° | 65.0° |
| OAF | PAS | CAM | HAMA | 68.3° | 55.0° |
| OAF | PAS | OAB | H10 | 129.1° | 59.9° |
| OAG | PAT | OAH | OAN | 114.6° | 120.0° |
| OAG | PAT | OAN | CAK | 129.1° | 175.0° |
| OAG | PAT | OAC | H11 | 132.1° | 60.0° |
| OAH | PAT | OAN | CAK | 10.6° | 55.0° |
| OAH | PAT | OAC | H11 | 0.0° | 180.0° |
| OAH | PAT | OAG | H13 | 0.0° | 60.0° |
| CAJ | CAI | CAP | HAI | 180.0° | 179.7° |
| CAI | CAJ | NAR | HAJ | 180.0° | 180.0° |
| CAJ | CAI | CAP | CAL | 179.6° | 180.0° |
| CAI | CAJ | NAR | CAM | 179.9° | 180.0° |
| CAI | CAJ | NAR | CAO | 0.1° | 0.1° |
| CAJ | CAI | CAP | CAQ | 0.5° | 0.0° |
| CAP | CAI | CAJ | NAR | 0.2° | 0.0° |
| CAP | CAI | CAJ | HAJ | 179.8° | 180.0° |
| CAI | CAP | CAL | CAK | 49.7° | 85.0° |
| CAI | CAP | CAL | CAQ | 179.9° | 180.0° |
| CAI | CAP | CAL | HAL | 169.7° | 155.0° |
| CAI | CAP | CAL | HALA | 70.3° | 35.0° |
| CAI | CAP | CAQ | CAO | 0.5° | 0.0° |
| HAI | CAI | CAJ | NAR | 179.8° | 179.7° |
| HAI | CAI | CAJ | HAJ | 0.2° | 0.3° |
| HAI | CAI | CAP | CAL | 0.4° | 0.3° |
| HAI | CAI | CAP | CAQ | 179.5° | 179.7° |
| CAJ | NAR | CAM | CAO | 179.8° | 179.9° |
| CAJ | NAR | CAM | PAS | 1.5° | 90.0° |
| CAJ | NAR | CAM | HAM | 121.5° | 150.0° |
| CAJ | NAR | CAM | HAMA | 118.5° | 30.0° |
| CAJ | NAR | CAO | CAQ | 0.1° | 0.1° |
| HAJ | CAJ | NAR | CAM | 0.1° | 0.0° |
| HAJ | CAJ | NAR | CAO | 179.9° | 179.9° |
| CAL | CAK | OAN | HAK | 120.0° | 120.0° |
| CAL | CAK | OAN | HAKA | 120.0° | 120.0° |
| CAL | CAK | HAK | HAKA | 119.3° | 120.0° |
| CAK | CAL | CAP | HAL | 120.0° | 119.9° |
| CAK | CAL | CAP | HALA | 120.0° | 120.0° |
| CAK | CAL | HAL | HALA | 119.1° | 120.0° |
| CAL | CAK | OAN | PAT | 146.2° | 180.0° |
| CAK | CAL | CAP | CAQ | 130.4° | 95.0° |
| OAN | CAK | HAK | HAKA | 119.3° | 120.0° |
| OAN | CAK | CAL | CAP | 99.4° | 180.0° |
| OAN | CAK | CAL | HAL | 140.6° | 60.0° |
| OAN | CAK | CAL | HALA | 20.6° | 60.0° |
| HAK | CAK | CAL | CAP | 140.6° | 60.0° |
| HAK | CAK | CAL | HAL | 20.6° | 60.0° |
| HAK | CAK | CAL | HALA | 99.4° | 180.0° |
| HAK | CAK | OAN | PAT | 26.2° | 60.0° |
| HAKA | CAK | CAL | CAP | 20.6° | 60.1° |
| HAKA | CAK | CAL | HAL | 99.4° | 180.0° |
| HAKA | CAK | CAL | HALA | 140.6° | 60.0° |
| HAKA | CAK | OAN | PAT | 93.8° | 60.0° |
| CAP | CAL | HAL | HALA | 119.1° | 120.1° |
| CAL | CAP | CAQ | CAO | 179.6° | 179.9° |
| HAL | CAL | CAP | CAQ | 10.4° | 24.9° |
| HALA | CAL | CAP | CAQ | 109.6° | 145.0° |
| NAR | CAM | PAS | HAM | 120.0° | 120.0° |
| NAR | CAM | PAS | HAMA | 120.0° | 120.1° |
| NAR | CAM | HAM | HAMA | 117.3° | 120.0° |
| CAM | NAR | CAO | CAQ | 179.9° | 180.0° |
| PAS | CAM | HAM | HAMA | 117.3° | 120.0° |
| PAS | CAM | NAR | CAO | 178.7° | 90.1° |
| CAM | PAS | OAB | H10 | 120.8° | 60.0° |
| CAM | PAS | OAF | H12 | 118.3° | 180.0° |
| HAM | CAM | NAR | CAO | 58.7° | 29.9° |
| HAMA | CAM | NAR | CAO | 61.3° | 149.9° |
| OAN | PAT | OAC | H11 | 113.3° | 59.9° |
| OAN | PAT | OAG | H13 | 114.0° | 180.0° |
| NAR | CAO | CAQ | CAP | 0.2° | 0.1° |
