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Table 3 Prediction accuracy for the combined prediction of the Vα/Vβ and TCR/pMHC association angles

From: DynaDom: structure-based prediction of T cell receptor inter-domain and T cell receptor-peptide-MHC (class I) association angles

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

  1. aEvaluation setting label
  2. bVariants: Q = glutamine carboxamide group orientation correction, R = rigid body position restraint
  3. 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 2 Å
  4. 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 2 Å