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Energy computations for Glu and Ala at amino acid 381 of calreticulin determined using the GROMOS96 simulation software of the Swiss-Pdb Viewer
| Residue | Bond (KJ/mol) | Angle (KJ/mol) | Torsion (KJ/mol) | Improper torsion (KJ/mol) | Total (KJ/mol) |
|---|---|---|---|---|---|
| Glu | 0.969 | 2.991 | 3.332 | 1.62 | 8.912 |
| Ala | 0.518 | 1.196 | 0.942 | 1.617 | 4.273 |
Note: In this simulation, all computations were done in vacuo without reaction field.
