|
Predicted binding energy of each mutant subunit calculated using AMBER89 and CHARMM22 force fields. |
||
| Binding energy (kcal/mol) |
||
|
|
||
| AMBER89 |
CHARMM22 |
|
|
|
||
| Wild type |
-249 |
-118 |
| Asn340Phe/Tyr418Phe |
-291 |
-134 |
| Asn340Phe/Tyr418Ile |
-273 |
-126 |
| Thr416Val/Thr417Val |
-278 |
-131 |
Tanaka et al. BMC Biochemistry 2005 6:1 doi:10.1186/1471-2091-6-1 |
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