1ME
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAN | SAM | sing | 1.81Å | 1.82Å | |
| SAM | CAK | sing | 1.81Å | 1.89Å | |
| CAK | CAO | sing | 1.53Å | 1.56Å | |
| CAK | CAJ | sing | 1.53Å | 1.48Å | |
| CAJ | CAP | sing | 1.51Å | 1.47Å | |
| CAJ | NAI | sing | 1.47Å | 1.46Å | |
| CAP | OAR | sing | 1.34Å | 1.30Å | |
| CAP | OAQ | doub | 1.21Å | 1.26Å | |
| CAN | HAN1 | sing | 1.09Å | 1.10Å | |
| CAN | HAN2 | sing | 1.09Å | 1.10Å | |
| CAN | HAN3 | sing | 1.09Å | 1.10Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAO | HAO1 | sing | 1.09Å | 1.10Å | |
| CAO | HAO2 | sing | 1.09Å | 1.10Å | |
| CAO | HAO3 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| NAI | HAI | sing | 1.01Å | 1.00Å | |
| OAR | HAR | sing | 0.97Å | 0.95Å | |
| NAI | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAN | SAM | CAK | 92.3° | 103.0° |
| SAM | CAN | HAN1 | 109.5° | 109.5° |
| SAM | CAN | HAN2 | 109.4° | 109.4° |
| SAM | CAN | HAN3 | 109.5° | 109.5° |
| SAM | CAK | CAO | 123.5° | 109.5° |
| SAM | CAK | CAJ | 110.2° | 109.5° |
| SAM | CAK | HAK | 92.8° | 109.5° |
| CAO | CAK | CAJ | 125.3° | 109.5° |
| CAO | CAK | HAK | 93.4° | 109.5° |
| CAK | CAO | HAO1 | 109.5° | 109.5° |
| CAK | CAO | HAO2 | 109.5° | 109.5° |
| CAK | CAO | HAO3 | 109.5° | 109.4° |
| CAK | CAJ | CAP | 105.9° | 109.5° |
| CAK | CAJ | NAI | 120.5° | 109.5° |
| CAJ | CAK | HAK | 93.6° | 109.4° |
| CAK | CAJ | HAJ | 101.5° | 109.4° |
| CAP | CAJ | NAI | 121.6° | 109.5° |
| CAJ | CAP | OAR | 119.9° | 120.0° |
| CAJ | CAP | OAQ | 112.7° | 120.0° |
| CAP | CAJ | HAJ | 101.7° | 109.5° |
| NAI | CAJ | HAJ | 101.7° | 109.5° |
| CAJ | NAI | HAI | 109.5° | 111.0° |
| CAJ | NAI | H2 | 109.5° | 111.0° |
| OAR | CAP | OAQ | 125.7° | 120.0° |
| CAP | OAR | HAR | 109.5° | 117.1° |
| HAN1 | CAN | HAN2 | 109.5° | 109.5° |
| HAN1 | CAN | HAN3 | 109.5° | 109.5° |
| HAN2 | CAN | HAN3 | 109.5° | 109.5° |
| HAO1 | CAO | HAO2 | 109.5° | 109.5° |
| HAO1 | CAO | HAO3 | 109.4° | 109.5° |
| HAO2 | CAO | HAO3 | 109.5° | 109.4° |
| HAI | NAI | H2 | 109.5° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAN | SAM | CAK | CAO | 64.9° | 65.0° |
| CAN | SAM | CAK | CAJ | 125.9° | 175.0° |
| SAM | CAN | HAN1 | HAN2 | 120.0° | 119.9° |
| SAM | CAN | HAN1 | HAN3 | 120.0° | 120.0° |
| SAM | CAN | HAN2 | HAN3 | 120.0° | 120.0° |
| CAN | SAM | CAK | HAK | 31.0° | 55.0° |
| SAM | CAK | CAO | CAJ | 167.5° | 120.0° |
| SAM | CAK | CAO | HAK | 95.6° | 120.0° |
| SAM | CAK | CAJ | HAK | 94.3° | 120.0° |
| SAM | CAK | CAJ | CAP | 94.3° | 180.0° |
| SAM | CAK | CAJ | NAI | 48.8° | 60.0° |
| CAK | SAM | CAN | HAN1 | 180.0° | 60.0° |
| CAK | SAM | CAN | HAN2 | 60.0° | 180.0° |
| CAK | SAM | CAN | HAN3 | 60.0° | 60.0° |
| SAM | CAK | CAO | HAO1 | 180.0° | 60.0° |
| SAM | CAK | CAO | HAO2 | 60.0° | 60.1° |
| SAM | CAK | CAO | HAO3 | 60.0° | 180.0° |
| SAM | CAK | CAJ | HAJ | 159.9° | 60.0° |
| CAO | CAK | CAJ | HAK | 96.7° | 120.0° |
| CAO | CAK | CAJ | CAP | 96.8° | 60.0° |
| CAO | CAK | CAJ | NAI | 120.2° | 180.0° |
| CAK | CAO | HAO1 | HAO2 | 120.0° | 120.0° |
| CAK | CAO | HAO1 | HAO3 | 120.0° | 120.0° |
| CAK | CAO | HAO2 | HAO3 | 120.0° | 119.9° |
| CAO | CAK | CAJ | HAJ | 9.0° | 60.0° |
| CAK | CAJ | CAP | NAI | 142.6° | 120.0° |
| CAK | CAJ | CAP | HAJ | 105.7° | 120.0° |
| CAK | CAJ | NAI | HAJ | 111.0° | 120.0° |
| CAK | CAJ | CAP | OAR | 38.6° | 80.0° |
| CAK | CAJ | CAP | OAQ | 127.5° | 100.0° |
| CAJ | CAK | CAO | HAO1 | 12.5° | 179.9° |
| CAJ | CAK | CAO | HAO2 | 132.5° | 60.0° |
| CAJ | CAK | CAO | HAO3 | 107.5° | 60.0° |
| CAK | CAJ | NAI | HAI | 180.0° | 60.0° |
| CAK | CAJ | NAI | H2 | 60.0° | 176.0° |
| CAP | CAJ | NAI | HAJ | 111.7° | 120.0° |
| CAJ | CAP | OAR | OAQ | 164.2° | 180.0° |
| CAP | CAJ | CAK | HAK | 0.0° | 60.0° |
| CAP | CAJ | NAI | HAI | 42.7° | 60.0° |
| CAJ | CAP | OAR | HAR | 164.2° | 180.0° |
| CAP | CAJ | NAI | H2 | 162.7° | 64.0° |
| NAI | CAJ | CAP | OAR | 178.8° | 160.0° |
| NAI | CAJ | CAP | OAQ | 15.1° | 20.0° |
| NAI | CAJ | CAK | HAK | 143.1° | 60.0° |
| CAJ | NAI | HAI | H2 | 120.0° | 124.0° |
| OAR | CAP | CAJ | HAJ | 67.0° | 40.0° |
| OAQ | CAP | CAJ | HAJ | 126.8° | 140.0° |
| OAQ | CAP | OAR | HAR | 0.0° | 0.1° |
| HAN1 | CAN | HAN2 | HAN3 | 120.0° | 120.0° |
| HAK | CAK | CAO | HAO1 | 84.4° | 60.0° |
| HAK | CAK | CAO | HAO2 | 35.7° | 179.9° |
| HAK | CAK | CAO | HAO3 | 155.6° | 60.0° |
| HAK | CAK | CAJ | HAJ | 105.8° | NaN° |
| HAO1 | CAO | HAO2 | HAO3 | 120.0° | 120.0° |
| HAJ | CAJ | NAI | HAI | 69.0° | 180.0° |
| HAJ | CAJ | NAI | H2 | 51.0° | 56.0° |
