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

Table 2 Prediction accuracy for the Vα/Vβ association angles modeled without pMHC

ES^a	Variants^b		C_R ^c		C_E ^d
	Q	R	#	%	#	%
M_T00	off	off	71	94.7	63	84.0
M_T01	off	on	71	94.7	66	88.0
M_T10	on	off	72	96.0	64	85.3
M_T11	on	on	72	96.0	67	89.3
M_T ^*11	on	on	47	97.9	43	89.6

^aEvaluation setting label
^bVariants: Q = glutamine carboxamide group orientation correction, R = rigid body position restraint
^cAbsolute and relative prediction rate according to the RMSD based criterion (i.e., C_R) in data set DS_T (75 structures). In the particular case of M_T ^*11, the prediction was performed on the DS_T ^* set (48 structures, without biological units). 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
^d Same 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

ISSN: 1472-6807