CAK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAN | PAM | doub | 1.48Å | 1.50Å | |
| PAM | OAO | sing | 1.61Å | 1.49Å | |
| PAM | OAP | sing | 1.61Å | 1.53Å | |
| PAM | OAL | sing | 1.61Å | 1.64Å | |
| OAO | HAO | sing | 0.97Å | 0.95Å | |
| OAP | HAP | sing | 0.97Å | 0.95Å | |
| OAL | CAK | sing | 1.43Å | 1.42Å | |
| CAK | CAF | sing | 1.53Å | 1.55Å | |
| CAK | HAK1 | sing | 1.09Å | 1.10Å | |
| CAK | HAK2 | sing | 1.09Å | 1.10Å | |
| CAF | CAA | sing | 1.53Å | 1.53Å | |
| CAF | CAE | sing | 1.53Å | 1.55Å | |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| CAA | OAG | sing | 1.43Å | 1.44Å | |
| CAA | CAB | sing | 1.53Å | 1.53Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| OAG | HAG | sing | 0.97Å | 0.95Å | |
| CAB | OAH | sing | 1.43Å | 1.45Å | |
| CAB | CAC | sing | 1.53Å | 1.54Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| OAH | HAH | sing | 0.97Å | 0.95Å | |
| CAC | OAI | sing | 1.43Å | 1.44Å | |
| CAC | CAD | sing | 1.53Å | 1.55Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| OAI | HAI | sing | 0.97Å | 0.95Å | |
| CAD | OAJ | sing | 1.43Å | 1.46Å | |
| CAD | CAE | sing | 1.53Å | 1.55Å | |
| CAD | HAD | sing | 1.09Å | 1.10Å | |
| OAJ | HAJ | sing | 0.97Å | 0.95Å | |
| CAE | HAE1 | sing | 1.09Å | 1.10Å | |
| CAE | HAE2 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAN | PAM | OAO | 110.1° | 109.5° |
| OAN | PAM | OAP | 115.2° | 109.5° |
| OAN | PAM | OAL | 109.0° | 109.4° |
| OAO | PAM | OAP | 115.2° | 109.5° |
| OAO | PAM | OAL | 110.1° | 109.5° |
| PAM | OAO | HAO | 109.5° | 106.7° |
| OAP | PAM | OAL | 96.2° | 109.5° |
| PAM | OAP | HAP | 109.5° | 106.8° |
| PAM | OAL | CAK | 123.8° | 106.8° |
| OAL | CAK | CAF | 112.3° | 109.5° |
| OAL | CAK | HAK1 | 107.9° | 109.5° |
| OAL | CAK | HAK2 | 108.5° | 109.5° |
| CAF | CAK | HAK1 | 107.9° | 109.5° |
| CAF | CAK | HAK2 | 108.6° | 109.5° |
| CAK | CAF | CAA | 108.6° | 109.5° |
| CAK | CAF | CAE | 113.5° | 109.4° |
| CAK | CAF | HAF | 107.5° | 109.5° |
| HAK1 | CAK | HAK2 | 111.7° | 109.4° |
| CAA | CAF | CAE | 110.1° | 109.5° |
| CAA | CAF | HAF | 111.1° | 109.5° |
| CAF | CAA | OAG | 113.0° | 109.4° |
| CAF | CAA | CAB | 107.3° | 109.5° |
| CAF | CAA | HAA | 108.8° | 109.5° |
| CAE | CAF | HAF | 105.9° | 109.4° |
| CAF | CAE | CAD | 115.4° | 109.5° |
| CAF | CAE | HAE1 | 106.2° | 109.5° |
| CAF | CAE | HAE2 | 107.5° | 109.5° |
| OAG | CAA | CAB | 110.2° | 109.5° |
| OAG | CAA | HAA | 105.8° | 109.5° |
| CAA | OAG | HAG | 109.5° | 106.8° |
| CAB | CAA | HAA | 111.7° | 109.5° |
| CAA | CAB | OAH | 112.0° | 109.5° |
| CAA | CAB | CAC | 109.8° | 109.5° |
| CAA | CAB | HAB | 108.7° | 109.4° |
| OAH | CAB | CAC | 112.7° | 109.5° |
| OAH | CAB | HAB | 105.4° | 109.5° |
| CAB | OAH | HAH | 109.5° | 106.8° |
| CAC | CAB | HAB | 108.0° | 109.5° |
| CAB | CAC | OAI | 108.2° | 109.4° |
| CAB | CAC | CAD | 112.1° | 109.5° |
| CAB | CAC | HAC | 109.0° | 109.5° |
| OAI | CAC | CAD | 110.7° | 109.5° |
| OAI | CAC | HAC | 110.5° | 109.5° |
| CAC | OAI | HAI | 109.5° | 106.8° |
| CAD | CAC | HAC | 106.4° | 109.5° |
| CAC | CAD | OAJ | 111.1° | 109.4° |
| CAC | CAD | CAE | 111.7° | 109.5° |
| CAC | CAD | HAD | 108.0° | 109.5° |
| OAJ | CAD | CAE | 112.9° | 109.5° |
| OAJ | CAD | HAD | 106.7° | 109.5° |
| CAD | OAJ | HAJ | 109.5° | 106.8° |
| CAE | CAD | HAD | 106.0° | 109.5° |
| CAD | CAE | HAE1 | 106.1° | 109.5° |
| CAD | CAE | HAE2 | 107.5° | 109.5° |
| HAE1 | CAE | HAE2 | 114.3° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAN | PAM | OAO | OAP | 132.3° | 120.1° |
| OAN | PAM | OAO | OAL | 120.3° | 119.9° |
| OAN | PAM | OAP | OAL | 114.5° | 120.0° |
| OAN | PAM | OAO | HAO | 75.1° | 60.0° |
| OAN | PAM | OAP | HAP | 151.2° | 180.0° |
| OAN | PAM | OAL | CAK | 57.0° | 55.0° |
| OAO | PAM | OAP | OAL | 115.7° | 120.0° |
| OAO | PAM | OAP | HAP | 21.4° | 60.0° |
| OAO | PAM | OAL | CAK | 63.9° | 175.0° |
| OAP | PAM | OAO | HAO | 152.6° | 60.0° |
| OAP | PAM | OAL | CAK | 176.4° | 65.0° |
| OAL | PAM | OAO | HAO | 45.1° | 180.0° |
| OAL | PAM | OAP | HAP | 94.3° | 60.0° |
| PAM | OAL | CAK | CAF | 160.6° | 180.0° |
| PAM | OAL | CAK | HAK1 | 41.8° | 59.9° |
| PAM | OAL | CAK | HAK2 | 79.4° | 60.0° |
| OAL | CAK | CAF | HAK1 | 118.8° | 120.0° |
| OAL | CAK | CAF | HAK2 | 120.0° | 120.0° |
| OAL | CAK | HAK1 | HAK2 | 119.2° | 120.0° |
| OAL | CAK | CAF | CAA | 169.3° | 175.0° |
| OAL | CAK | CAF | CAE | 67.8° | 65.0° |
| OAL | CAK | CAF | HAF | 49.0° | 54.9° |
| CAF | CAK | HAK1 | HAK2 | 119.3° | 120.0° |
| CAK | CAF | CAA | CAE | 124.9° | 120.0° |
| CAK | CAF | CAA | HAF | 118.1° | 120.1° |
| CAK | CAF | CAE | HAF | 117.8° | 120.0° |
| CAK | CAF | CAA | OAG | 51.9° | 60.0° |
| CAK | CAF | CAA | CAB | 173.6° | 180.0° |
| CAK | CAF | CAA | HAA | 65.3° | 60.0° |
| CAK | CAF | CAE | CAD | 172.6° | 180.0° |
| CAK | CAF | CAE | HAE1 | 55.3° | 60.0° |
| CAK | CAF | CAE | HAE2 | 67.4° | 60.0° |
| HAK1 | CAK | CAF | CAA | 50.5° | 55.0° |
| HAK1 | CAK | CAF | CAE | 173.4° | 175.0° |
| HAK1 | CAK | CAF | HAF | 69.8° | 65.1° |
| HAK2 | CAK | CAF | CAA | 70.7° | 65.0° |
| HAK2 | CAK | CAF | CAE | 52.2° | 55.0° |
| HAK2 | CAK | CAF | HAF | 169.0° | 175.0° |
| CAA | CAF | CAE | HAF | 120.2° | 120.1° |
| CAF | CAA | OAG | CAB | 120.1° | 120.0° |
| CAF | CAA | OAG | HAA | 119.0° | 120.0° |
| CAF | CAA | CAB | HAA | 119.2° | 120.0° |
| CAF | CAA | OAG | HAG | 123.2° | 179.9° |
| CAF | CAA | CAB | OAH | 166.8° | 180.0° |
| CAF | CAA | CAB | CAC | 67.2° | 60.0° |
| CAF | CAA | CAB | HAB | 50.7° | 60.0° |
| CAA | CAF | CAE | CAD | 50.6° | 60.0° |
| CAA | CAF | CAE | HAE1 | 66.7° | 60.0° |
| CAA | CAF | CAE | HAE2 | 170.6° | 180.0° |
| CAE | CAF | CAA | OAG | 176.8° | 180.0° |
| CAE | CAF | CAA | CAB | 61.5° | 60.0° |
| CAE | CAF | CAA | HAA | 59.5° | 60.0° |
| CAF | CAE | CAD | CAC | 42.0° | 60.0° |
| CAF | CAE | CAD | OAJ | 168.1° | 180.0° |
| CAF | CAE | CAD | HAE1 | 117.3° | 120.0° |
| CAF | CAE | CAD | HAE2 | 120.0° | 120.0° |
| CAF | CAE | CAD | HAD | 75.4° | 60.0° |
| CAF | CAE | HAE1 | HAE2 | 118.3° | 120.1° |
| HAF | CAF | CAA | OAG | 66.2° | 60.0° |
| HAF | CAF | CAA | CAB | 55.6° | 60.0° |
| HAF | CAF | CAA | HAA | 176.6° | 180.0° |
| HAF | CAF | CAE | CAD | 69.7° | 60.0° |
| HAF | CAF | CAE | HAE1 | 173.0° | 180.0° |
| HAF | CAF | CAE | HAE2 | 50.3° | 60.0° |
| OAG | CAA | CAB | HAA | 117.3° | 120.0° |
| OAG | CAA | CAB | OAH | 43.3° | 60.0° |
| OAG | CAA | CAB | CAC | 169.3° | 180.0° |
| OAG | CAA | CAB | HAB | 72.8° | 60.0° |
| CAB | CAA | OAG | HAG | 3.1° | 60.0° |
| CAA | CAB | OAH | CAC | 124.4° | 120.0° |
| CAA | CAB | OAH | HAB | 118.1° | 119.9° |
| CAA | CAB | CAC | HAB | 118.3° | 119.9° |
| CAA | CAB | OAH | HAH | 103.7° | 180.0° |
| CAA | CAB | CAC | OAI | 177.9° | 180.0° |
| CAA | CAB | CAC | CAD | 59.8° | 60.0° |
| CAA | CAB | CAC | HAC | 57.8° | 60.0° |
| HAA | CAA | OAG | HAG | 117.8° | 60.1° |
| HAA | CAA | CAB | OAH | 74.0° | 60.0° |
| HAA | CAA | CAB | CAC | 52.0° | 60.0° |
| HAA | CAA | CAB | HAB | 169.9° | 180.0° |
| OAH | CAB | CAC | HAB | 116.0° | 120.1° |
| OAH | CAB | CAC | OAI | 52.3° | 60.0° |
| OAH | CAB | CAC | CAD | 174.5° | 180.0° |
| OAH | CAB | CAC | HAC | 67.9° | 60.0° |
| CAC | CAB | OAH | HAH | 131.9° | 60.1° |
| CAB | CAC | OAI | CAD | 123.2° | 120.0° |
| CAB | CAC | OAI | HAC | 119.2° | 120.0° |
| CAB | CAC | CAD | HAC | 119.1° | 120.0° |
| CAB | CAC | OAI | HAI | 152.5° | 180.0° |
| CAB | CAC | CAD | OAJ | 172.9° | 180.0° |
| CAB | CAC | CAD | CAE | 45.8° | 60.0° |
| CAB | CAC | CAD | HAD | 70.4° | 60.0° |
| HAB | CAB | OAH | HAH | 14.3° | 60.0° |
| HAB | CAB | CAC | OAI | 63.8° | 60.1° |
| HAB | CAB | CAC | CAD | 58.5° | 59.9° |
| HAB | CAB | CAC | HAC | 176.1° | 179.9° |
| OAI | CAC | CAD | HAC | 120.0° | 120.0° |
| OAI | CAC | CAD | OAJ | 66.2° | 60.0° |
| OAI | CAC | CAD | CAE | 166.7° | 180.0° |
| OAI | CAC | CAD | HAD | 50.5° | 60.0° |
| CAD | CAC | OAI | HAI | 29.3° | 60.0° |
| CAC | CAD | OAJ | CAE | 126.5° | 120.0° |
| CAC | CAD | OAJ | HAD | 117.5° | 120.0° |
| CAC | CAD | CAE | HAD | 117.4° | 120.0° |
| CAC | CAD | OAJ | HAJ | 121.7° | 60.0° |
| CAC | CAD | CAE | HAE1 | 75.3° | 60.0° |
| CAC | CAD | CAE | HAE2 | 162.0° | 180.0° |
| HAC | CAC | OAI | HAI | 88.3° | 60.0° |
| HAC | CAC | CAD | OAJ | 53.8° | 60.0° |
| HAC | CAC | CAD | CAE | 73.3° | 60.0° |
| HAC | CAC | CAD | HAD | 170.5° | 180.0° |
| OAJ | CAD | CAE | HAD | 116.5° | 120.0° |
| OAJ | CAD | CAE | HAE1 | 50.8° | 60.0° |
| OAJ | CAD | CAE | HAE2 | 71.9° | 60.0° |
| CAE | CAD | OAJ | HAJ | 4.7° | 180.0° |
| CAD | CAE | HAE1 | HAE2 | 118.3° | 120.0° |
| HAD | CAD | OAJ | HAJ | 120.8° | 60.0° |
| HAD | CAD | CAE | HAE1 | 167.3° | 180.0° |
| HAD | CAD | CAE | HAE2 | 44.6° | 60.0° |
