Q86
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.22Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| C | CAH | sing | 1.51Å | 1.51Å | |
| CAO | N | sing | 1.34Å | 1.33Å | Aromatic |
| NAL | N | sing | 1.40Å | 1.39Å | Aromatic |
| N | CA | sing | 1.47Å | 1.46Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CA | HAA | sing | 1.09Å | 1.10Å | |
| CAF | CAA | doub | 1.38Å | 1.39Å | Aromatic |
| CAA | CAB | sing | 1.38Å | 1.39Å | Aromatic |
| CAA | HAAA | sing | 1.08Å | 1.08Å | |
| CAB | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAD | CAC | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAE | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAF | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | CAE | sing | 1.51Å | 1.51Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAH | CAG | sing | 1.53Å | 1.52Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| CAG | HAGA | sing | 1.09Å | 1.10Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| CAH | HAHA | sing | 1.09Å | 1.10Å | |
| CAM | NAL | doub | 1.31Å | 1.35Å | Aromatic |
| NAN | CAM | sing | 1.33Å | 1.36Å | Aromatic |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| NAN | CAO | doub | 1.31Å | 1.35Å | Aromatic |
| CAO | HAO | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 120.5° | 120.0° |
| O | C | CAH | 121.9° | 120.0° |
| CA | C | CAH | 117.6° | 120.0° |
| C | CA | N | 112.5° | 109.5° |
| C | CA | HA | 108.5° | 109.5° |
| C | CA | HAA | 108.5° | 109.5° |
| C | CAH | CAG | 112.5° | 109.5° |
| C | CAH | HAH | 108.5° | 109.5° |
| C | CAH | HAHA | 108.5° | 109.5° |
| CAO | N | NAL | 110.8° | 106.4° |
| CAO | N | CA | 133.8° | 126.8° |
| N | CAO | NAN | 106.0° | 108.1° |
| N | CAO | HAO | 127.0° | 126.0° |
| NAL | N | CA | 115.3° | 126.8° |
| N | NAL | CAM | 104.7° | 106.7° |
| N | CA | HA | 108.5° | 109.5° |
| N | CA | HAA | 108.5° | 109.4° |
| HA | CA | HAA | 110.5° | 109.4° |
| CAF | CAA | CAB | 120.0° | 120.0° |
| CAF | CAA | HAAA | 120.0° | 120.0° |
| CAA | CAF | CAE | 120.3° | 120.0° |
| CAA | CAF | HAF | 119.9° | 120.0° |
| CAB | CAA | HAAA | 120.0° | 120.0° |
| CAA | CAB | CAC | 119.8° | 120.0° |
| CAA | CAB | HAB | 120.1° | 120.0° |
| CAC | CAB | HAB | 120.1° | 120.0° |
| CAB | CAC | CAD | 120.2° | 120.0° |
| CAB | CAC | HAC | 119.9° | 120.0° |
| CAD | CAC | HAC | 119.9° | 120.0° |
| CAC | CAD | CAE | 120.1° | 120.0° |
| CAC | CAD | HAD | 119.9° | 120.1° |
| CAE | CAD | HAD | 119.9° | 119.9° |
| CAD | CAE | CAF | 119.6° | 120.0° |
| CAD | CAE | CAG | 120.7° | 120.0° |
| CAF | CAE | CAG | 119.7° | 120.0° |
| CAE | CAF | HAF | 119.8° | 120.0° |
| CAE | CAG | CAH | 111.2° | 109.5° |
| CAE | CAG | HAG | 108.9° | 109.4° |
| CAE | CAG | HAGA | 108.9° | 109.4° |
| CAH | CAG | HAG | 108.9° | 109.5° |
| CAH | CAG | HAGA | 108.9° | 109.5° |
| CAG | CAH | HAH | 108.5° | 109.5° |
| CAG | CAH | HAHA | 108.5° | 109.5° |
| HAG | CAG | HAGA | 110.0° | 109.5° |
| HAH | CAH | HAHA | 110.5° | 109.4° |
| NAL | CAM | NAN | 108.9° | 109.0° |
| NAL | CAM | HAM | 125.6° | 125.5° |
| NAN | CAM | HAM | 125.6° | 125.6° |
| CAM | NAN | CAO | 109.5° | 109.8° |
| NAN | CAO | HAO | 127.0° | 125.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | CAH | 179.9° | 179.7° |
| O | C | CA | N | 9.6° | 0.3° |
| O | C | CA | HA | 110.4° | 119.7° |
| O | C | CA | HAA | 129.6° | 120.3° |
| O | C | CAH | CAG | 0.1° | 0.0° |
| O | C | CAH | HAH | 119.9° | 120.0° |
| O | C | CAH | HAHA | 120.1° | 120.0° |
| C | CA | N | CAO | 83.6° | 124.7° |
| C | CA | N | NAL | 98.0° | 55.0° |
| C | CA | N | HA | 120.0° | 120.0° |
| C | CA | N | HAA | 120.0° | 120.0° |
| C | CA | HA | HAA | 118.8° | 120.1° |
| CA | C | CAH | CAG | 179.7° | 179.7° |
| CA | C | CAH | HAH | 60.3° | 60.3° |
| CA | C | CAH | HAHA | 59.7° | 59.7° |
| CAH | C | CA | N | 170.6° | 180.0° |
| CAH | C | CA | HA | 69.4° | 60.0° |
| CAH | C | CA | HAA | 50.6° | 60.0° |
| C | CAH | CAG | CAE | 89.8° | 180.0° |
| C | CAH | CAG | HAH | 120.0° | 120.0° |
| C | CAH | CAG | HAHA | 120.0° | 120.0° |
| C | CAH | CAG | HAG | 150.2° | 60.0° |
| C | CAH | CAG | HAGA | 30.2° | 60.0° |
| C | CAH | HAH | HAHA | 118.7° | 120.0° |
| CAO | N | NAL | CA | 178.8° | 179.7° |
| CAO | N | CA | HA | 156.5° | 4.7° |
| CAO | N | CA | HAA | 36.4° | 115.3° |
| CAO | N | NAL | CAM | 0.5° | 0.2° |
| N | CAO | NAN | CAM | 0.1° | 0.4° |
| N | CAO | NAN | HAO | 180.0° | 179.6° |
| NAL | N | CA | HA | 22.0° | 175.0° |
| NAL | N | CA | HAA | 142.0° | 65.1° |
| N | NAL | CAM | NAN | 0.4° | 0.0° |
| N | NAL | CAM | HAM | 179.7° | 179.9° |
| NAL | N | CAO | NAN | 0.3° | 0.4° |
| NAL | N | CAO | HAO | 179.7° | 180.0° |
| N | CA | HA | HAA | 118.8° | 119.9° |
| CA | N | NAL | CAM | 179.3° | 179.9° |
| CA | N | CAO | NAN | 178.9° | 179.9° |
| CA | N | CAO | HAO | 1.2° | 0.3° |
| CAF | CAA | CAB | HAAA | 180.0° | 179.8° |
| CAF | CAA | CAB | CAC | 0.1° | 0.3° |
| CAF | CAA | CAB | HAB | 179.9° | 179.8° |
| CAA | CAF | CAE | CAD | 0.5° | 0.6° |
| CAA | CAF | CAE | HAF | 180.0° | 179.4° |
| CAA | CAF | CAE | CAG | 179.8° | 179.7° |
| CAA | CAB | CAC | HAB | 180.0° | 179.9° |
| CAA | CAB | CAC | CAD | 0.2° | 0.0° |
| CAA | CAB | CAC | HAC | 179.8° | 180.0° |
| CAB | CAA | CAF | CAE | 0.3° | 0.6° |
| CAB | CAA | CAF | HAF | 179.7° | 180.0° |
| HAAA | CAA | CAB | CAC | 179.8° | 179.9° |
| HAAA | CAA | CAB | HAB | 0.2° | 0.0° |
| HAAA | CAA | CAF | CAE | 179.7° | 179.7° |
| HAAA | CAA | CAF | HAF | 0.3° | 0.2° |
| CAB | CAC | CAD | HAC | 180.0° | 180.0° |
| CAB | CAC | CAD | CAE | 0.3° | 0.1° |
| CAB | CAC | CAD | HAD | 179.6° | 180.0° |
| HAB | CAB | CAC | CAD | 179.8° | 180.0° |
| HAB | CAB | CAC | HAC | 0.2° | 0.1° |
| CAC | CAD | CAE | HAD | 180.0° | 179.9° |
| CAC | CAD | CAE | CAF | 0.5° | 0.3° |
| CAC | CAD | CAE | CAG | 179.8° | 180.0° |
| HAC | CAC | CAD | CAE | 179.7° | 180.0° |
| HAC | CAC | CAD | HAD | 0.4° | 0.1° |
| CAD | CAE | CAF | CAG | 179.3° | 179.7° |
| CAD | CAE | CAF | HAF | 179.5° | 180.0° |
| CAD | CAE | CAG | CAH | 69.5° | 90.0° |
| CAD | CAE | CAG | HAG | 50.5° | 150.0° |
| CAD | CAE | CAG | HAGA | 170.5° | 30.0° |
| HAD | CAD | CAE | CAF | 179.5° | 179.7° |
| HAD | CAD | CAE | CAG | 0.2° | 0.1° |
| CAF | CAE | CAG | CAH | 111.2° | 89.7° |
| CAF | CAE | CAG | HAG | 128.8° | 30.3° |
| CAF | CAE | CAG | HAGA | 8.8° | 150.3° |
| CAG | CAE | CAF | HAF | 0.2° | 0.3° |
| CAE | CAG | CAH | HAG | 120.0° | 120.0° |
| CAE | CAG | CAH | HAGA | 120.0° | 120.0° |
| CAE | CAG | HAG | HAGA | 119.3° | 120.0° |
| CAE | CAG | CAH | HAH | 150.2° | 60.0° |
| CAE | CAG | CAH | HAHA | 30.2° | 60.0° |
| CAH | CAG | HAG | HAGA | 119.3° | 120.0° |
| CAG | CAH | HAH | HAHA | 118.8° | 120.0° |
| HAG | CAG | CAH | HAH | 30.2° | 60.0° |
| HAG | CAG | CAH | HAHA | 89.8° | 179.9° |
| HAGA | CAG | CAH | HAH | 89.8° | 179.9° |
| HAGA | CAG | CAH | HAHA | 150.2° | 60.0° |
| NAL | CAM | NAN | HAM | 180.0° | 179.9° |
| NAL | CAM | NAN | CAO | 0.2° | 0.3° |
| CAM | NAN | CAO | HAO | 179.9° | 180.0° |
| HAM | CAM | NAN | CAO | 179.8° | 179.8° |
