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Table 3 Comparison of model accuracy under different C α restraint thresholds

From: Rapper tk: a versatile engine for discrete restraint-based conformational sampling of macromolecules

  

C α restraint threshold in Å

  

0.5

1

1.5

2

RAPPER c

MCb

0.42 (0.01)

0.71 (0.01)

1.00 (0.02)

1.30 (0.03)

 

C α a

0.35 (0.01)

0.67 (0.01)

0.98 (0.02)

1.29 (0.02)

Rapper tk Forwardc

MCb

0.43 (0.01)

0.71 (0.01)

1.00 (0.02)

1.30 (0.03)

 

C α a

0.35 (0.01)

0.67 (0.01)

0.98 (0.02)

1.29 (0.03)

Rapper tk Backwardd

MCb

0.42 (0.01)

0.71 (0.01)

1.00 (0.02)

1.30 (0.03)

 

C α a

0.35 (0.01)

0.67 (0.01)

0.98 (0.02)

1.29 (0.03)

  1. Values in parentheses indicate standard deviations.
  2. aEnsemble average C α RMSD [Å] over all successfully modelled proteins.
  3. bEnsemble average main chain RMSD [Å] over all successfully modelled proteins.
  4. cNo models could be generated for targets 4ENL, 8ABP, 8TLN under 0.5Å C α restraint by RAPPER and Rapper tk forward building.
  5. d No models could be generated for targets 3PTE, 4ENL, 5CPA, 8ABP under 0.5Å restraint by Rapper tk backward building
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BMC Structural Biology

ISSN: 1472-6807

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