A1IMW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAM | OAL | sing | 1.43Å | 1.44Å | |
| CAM | CAN | sing | 1.53Å | 1.55Å | |
| OAL | CAK | sing | 1.43Å | 1.44Å | |
| CAK | CAJ | sing | 1.53Å | 1.54Å | |
| CAJ | OAI | sing | 1.43Å | 1.44Å | |
| CAN | NAO | sing | 1.47Å | 1.48Å | |
| OAI | CAH | sing | 1.43Å | 1.44Å | |
| CAH | CAG | sing | 1.53Å | 1.53Å | |
| CAD | NAC | sing | 1.46Å | 1.48Å | |
| CAD | CAE | sing | 1.53Å | 1.54Å | |
| CAG | OAF | sing | 1.43Å | 1.44Å | |
| NAC | CAB | sing | 1.35Å | 1.36Å | |
| CAE | OAF | sing | 1.43Å | 1.44Å | |
| CAB | OAA | doub | 1.21Å | 1.23Å | |
| NAC | H2 | sing | 0.97Å | 1.00Å | |
| CAD | H3 | sing | 1.09Å | 1.10Å | |
| CAD | H4 | sing | 1.09Å | 1.10Å | |
| CAE | H5 | sing | 1.09Å | 1.10Å | |
| CAE | H6 | sing | 1.09Å | 1.10Å | |
| CAG | H7 | sing | 1.09Å | 1.10Å | |
| CAG | H8 | sing | 1.09Å | 1.10Å | |
| CAH | H9 | sing | 1.09Å | 1.10Å | |
| CAH | H10 | sing | 1.09Å | 1.10Å | |
| CAJ | H11 | sing | 1.09Å | 1.10Å | |
| CAJ | H12 | sing | 1.09Å | 1.10Å | |
| CAK | H13 | sing | 1.09Å | 1.10Å | |
| CAK | H14 | sing | 1.09Å | 1.10Å | |
| CAM | H15 | sing | 1.09Å | 1.10Å | |
| CAM | H16 | sing | 1.09Å | 1.10Å | |
| CAN | H17 | sing | 1.09Å | 1.10Å | |
| CAN | H18 | sing | 1.09Å | 1.10Å | |
| NAO | H19 | sing | 1.01Å | 1.00Å | |
| NAO | H20 | sing | 1.01Å | 1.00Å | |
| CAB | OXT | sing | 1.35Å | 1.34Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAL | CAM | CAN | 110.5° | 109.4° |
| CAM | OAL | CAK | 111.9° | 114.0° |
| OAL | CAM | H15 | 109.2° | 109.5° |
| OAL | CAM | H16 | 109.2° | 109.5° |
| CAM | CAN | NAO | 110.5° | 109.5° |
| CAN | CAM | H15 | 109.2° | 109.4° |
| CAN | CAM | H16 | 109.2° | 109.5° |
| CAM | CAN | H17 | 109.2° | 109.4° |
| CAM | CAN | H18 | 109.2° | 109.5° |
| OAL | CAK | CAJ | 110.2° | 109.4° |
| OAL | CAK | H13 | 109.3° | 109.4° |
| OAL | CAK | H14 | 109.3° | 109.5° |
| CAK | CAJ | OAI | 110.0° | 109.5° |
| CAK | CAJ | H11 | 109.3° | 109.5° |
| CAK | CAJ | H12 | 109.3° | 109.5° |
| CAJ | CAK | H13 | 109.3° | 109.5° |
| CAJ | CAK | H14 | 109.3° | 109.5° |
| CAJ | OAI | CAH | 112.6° | 114.0° |
| OAI | CAJ | H11 | 109.3° | 109.5° |
| OAI | CAJ | H12 | 109.3° | 109.4° |
| NAO | CAN | H17 | 109.2° | 109.5° |
| NAO | CAN | H18 | 109.2° | 109.5° |
| CAN | NAO | H19 | 109.5° | 111.0° |
| CAN | NAO | H20 | 109.5° | 111.0° |
| OAI | CAH | CAG | 109.8° | 109.5° |
| OAI | CAH | H9 | 109.4° | 109.5° |
| OAI | CAH | H10 | 109.4° | 109.4° |
| CAH | CAG | OAF | 109.7° | 109.5° |
| CAH | CAG | H7 | 109.4° | 109.5° |
| CAH | CAG | H8 | 109.4° | 109.4° |
| CAG | CAH | H9 | 109.4° | 109.5° |
| CAG | CAH | H10 | 109.4° | 109.5° |
| NAC | CAD | CAE | 110.9° | 109.5° |
| CAD | NAC | CAB | 122.8° | 120.0° |
| CAD | NAC | H2 | 118.6° | 120.0° |
| NAC | CAD | H3 | 109.1° | 109.5° |
| NAC | CAD | H4 | 109.1° | 109.5° |
| CAD | CAE | OAF | 109.9° | 109.5° |
| CAE | CAD | H3 | 109.1° | 109.5° |
| CAE | CAD | H4 | 109.1° | 109.5° |
| CAD | CAE | H5 | 109.4° | 109.5° |
| CAD | CAE | H6 | 109.4° | 109.4° |
| CAG | OAF | CAE | 113.2° | 114.0° |
| OAF | CAG | H7 | 109.4° | 109.5° |
| OAF | CAG | H8 | 109.4° | 109.4° |
| NAC | CAB | OAA | 124.0° | 120.0° |
| CAB | NAC | H2 | 118.6° | 120.0° |
| NAC | CAB | OXT | 112.4° | 120.0° |
| OAF | CAE | H5 | 109.3° | 109.5° |
| OAF | CAE | H6 | 109.4° | 109.4° |
| OAA | CAB | OXT | 123.1° | 120.1° |
| H3 | CAD | H4 | 109.5° | 109.5° |
| H5 | CAE | H6 | 109.5° | 109.4° |
| H7 | CAG | H8 | 109.5° | 109.5° |
| H9 | CAH | H10 | 109.5° | 109.5° |
| H11 | CAJ | H12 | 109.5° | 109.5° |
| H13 | CAK | H14 | 109.4° | 109.5° |
| H15 | CAM | H16 | 109.5° | 109.5° |
| H17 | CAN | H18 | 109.5° | 109.5° |
| H19 | NAO | H20 | 109.5° | 111.0° |
| CAB | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAL | CAM | CAN | H15 | 120.1° | 120.0° |
| OAL | CAM | CAN | H16 | 120.1° | 120.0° |
| CAM | OAL | CAK | CAJ | 164.5° | 180.0° |
| OAL | CAM | CAN | NAO | 107.0° | 65.0° |
| CAM | OAL | CAK | H13 | 75.4° | 60.0° |
| CAM | OAL | CAK | H14 | 44.3° | 60.0° |
| OAL | CAM | H15 | H16 | 119.5° | 120.0° |
| OAL | CAM | CAN | H17 | 132.9° | 175.0° |
| OAL | CAM | CAN | H18 | 13.2° | 55.0° |
| CAN | CAM | OAL | CAK | 82.5° | 180.0° |
| CAM | CAN | NAO | H17 | 120.2° | 120.0° |
| CAM | CAN | NAO | H18 | 120.2° | 120.0° |
| CAN | CAM | H15 | H16 | 119.6° | 120.0° |
| CAM | CAN | H17 | H18 | 119.5° | 120.0° |
| CAM | CAN | NAO | H19 | 180.0° | 180.0° |
| CAM | CAN | NAO | H20 | 60.0° | 56.1° |
| OAL | CAK | CAJ | H13 | 120.1° | 120.0° |
| OAL | CAK | CAJ | H14 | 120.1° | 120.0° |
| OAL | CAK | CAJ | OAI | 129.1° | 65.0° |
| OAL | CAK | CAJ | H11 | 9.0° | 55.0° |
| OAL | CAK | CAJ | H12 | 110.9° | 175.0° |
| OAL | CAK | H13 | H14 | 119.6° | 120.0° |
| CAK | OAL | CAM | H15 | 37.6° | 60.0° |
| CAK | OAL | CAM | H16 | 157.3° | 60.0° |
| CAK | CAJ | OAI | H11 | 120.1° | 120.1° |
| CAK | CAJ | OAI | H12 | 120.1° | 120.0° |
| CAK | CAJ | OAI | CAH | 156.9° | 180.0° |
| CAK | CAJ | H11 | H12 | 119.7° | 120.0° |
| CAJ | CAK | H13 | H14 | 119.7° | 120.1° |
| CAJ | OAI | CAH | CAG | 107.2° | 180.0° |
| CAJ | OAI | CAH | H9 | 12.9° | 59.9° |
| CAJ | OAI | CAH | H10 | 132.8° | 60.0° |
| OAI | CAJ | H11 | H12 | 119.7° | 119.9° |
| OAI | CAJ | CAK | H13 | 110.8° | 175.0° |
| OAI | CAJ | CAK | H14 | 9.0° | 54.9° |
| NAO | CAN | CAM | H15 | 13.2° | 55.0° |
| NAO | CAN | CAM | H16 | 132.9° | 175.0° |
| NAO | CAN | H17 | H18 | 119.5° | 120.0° |
| CAN | NAO | H19 | H20 | 120.0° | 124.0° |
| OAI | CAH | CAG | H9 | 120.1° | 120.0° |
| OAI | CAH | CAG | H10 | 120.0° | 120.0° |
| OAI | CAH | CAG | OAF | 153.7° | 65.0° |
| OAI | CAH | CAG | H7 | 33.6° | 55.0° |
| OAI | CAH | CAG | H8 | 86.3° | 175.0° |
| OAI | CAH | H9 | H10 | 119.8° | 119.9° |
| CAH | OAI | CAJ | H11 | 36.8° | 60.0° |
| CAH | OAI | CAJ | H12 | 83.0° | 60.0° |
| CAH | CAG | OAF | H7 | 120.0° | 120.0° |
| CAH | CAG | OAF | H8 | 120.0° | 120.0° |
| CAH | CAG | OAF | CAE | 109.2° | 180.0° |
| CAH | CAG | H7 | H8 | 119.9° | 120.0° |
| CAG | CAH | H9 | H10 | 119.8° | 120.0° |
| NAC | CAD | CAE | H3 | 120.2° | 120.0° |
| NAC | CAD | CAE | H4 | 120.2° | 120.0° |
| CAD | NAC | CAB | H2 | 180.0° | 180.0° |
| NAC | CAD | CAE | OAF | 130.5° | 64.9° |
| CAD | NAC | CAB | OAA | 6.4° | 0.0° |
| NAC | CAD | H3 | H4 | 119.4° | 120.0° |
| NAC | CAD | CAE | H5 | 109.4° | 174.9° |
| NAC | CAD | CAE | H6 | 10.5° | 55.0° |
| CAD | NAC | CAB | OXT | 166.5° | 179.7° |
| CAD | CAE | OAF | CAG | 76.1° | 180.0° |
| CAE | CAD | NAC | CAB | 80.8° | 180.0° |
| CAD | CAE | OAF | H5 | 120.1° | 120.1° |
| CAD | CAE | OAF | H6 | 120.0° | 120.0° |
| CAE | CAD | NAC | H2 | 99.2° | 0.0° |
| CAE | CAD | H3 | H4 | 119.4° | 120.0° |
| CAD | CAE | H5 | H6 | 119.8° | 119.9° |
| CAG | OAF | CAE | H5 | 44.0° | 59.9° |
| CAG | OAF | CAE | H6 | 163.8° | 60.0° |
| OAF | CAG | H7 | H8 | 119.9° | 120.0° |
| OAF | CAG | CAH | H9 | 86.3° | 175.0° |
| OAF | CAG | CAH | H10 | 33.6° | 54.9° |
| NAC | CAB | OAA | OXT | 172.2° | 179.7° |
| CAB | NAC | CAD | H3 | 39.4° | 60.0° |
| CAB | NAC | CAD | H4 | 159.0° | 60.0° |
| NAC | CAB | OXT | HXT | 173.0° | 179.8° |
| OAF | CAE | CAD | H3 | 10.3° | 55.1° |
| OAF | CAE | CAD | H4 | 109.3° | 175.0° |
| OAF | CAE | H5 | H6 | 119.8° | 120.0° |
| CAE | OAF | CAG | H7 | 130.7° | 59.9° |
| CAE | OAF | CAG | H8 | 10.8° | 60.1° |
| OAA | CAB | NAC | H2 | 173.6° | 180.0° |
| OAA | CAB | OXT | HXT | 0.0° | 0.0° |
| H2 | NAC | CAD | H3 | 140.6° | 120.0° |
| H2 | NAC | CAD | H4 | 21.0° | 120.0° |
| H2 | NAC | CAB | OXT | 13.4° | 0.3° |
| H3 | CAD | CAE | H5 | 130.4° | 65.0° |
| H3 | CAD | CAE | H6 | 109.7° | 175.0° |
| H4 | CAD | CAE | H5 | 10.8° | 54.9° |
| H4 | CAD | CAE | H6 | 130.7° | 65.0° |
| H7 | CAG | CAH | H9 | 153.7° | 65.0° |
| H7 | CAG | CAH | H10 | 86.4° | 175.0° |
| H8 | CAG | CAH | H9 | 33.8° | 55.0° |
| H8 | CAG | CAH | H10 | 153.7° | 65.0° |
| H11 | CAJ | CAK | H13 | 129.1° | 64.9° |
| H11 | CAJ | CAK | H14 | 111.1° | 175.0° |
| H12 | CAJ | CAK | H13 | 9.3° | 55.1° |
| H12 | CAJ | CAK | H14 | 129.0° | 65.0° |
| H15 | CAM | CAN | H17 | 107.0° | 65.0° |
| H15 | CAM | CAN | H18 | 133.3° | 175.0° |
| H16 | CAM | CAN | H17 | 12.8° | 55.0° |
| H16 | CAM | CAN | H18 | 106.9° | 65.0° |
| H17 | CAN | NAO | H19 | 59.8° | 60.0° |
| H17 | CAN | NAO | H20 | 179.9° | 176.0° |
| H18 | CAN | NAO | H19 | 59.8° | 60.0° |
| H18 | CAN | NAO | H20 | 60.2° | 63.9° |
