ESa
| Variantsb
| CR
c
| CE
d
|
---|
 | Q | R | # | % | # | % |
---|
MC00 | off | off | 39 | 73.6 | 37 | 69.8 |
MC01 | off | on | 39 | 73.6 | 38 | 71.7 |
MC10 | on | off | 39 | 73.6 | 38 | 71.7 |
MC11 | on | on | 39 | 73.6 | 38 | 71.7 |
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aEvaluation setting label
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bVariants: Q = glutamine carboxamide group orientation correction, R = rigid body position restraint
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cAbsolute and relative prediction rate according to the RMSD based criterion (i.e., CR) in data set DSC (53 structures). For each prediction run, the 11 models are ranked by RMSD and a success is counted if the selected structure has an RMSD value lower than 2Â Ã…
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dSame as c) using the energy criterion to rank the 11 structures and select the best. The prediction is considered as successful if the selected structure has an RMSD value lower than 2Â Ã…