Table 2.

The results of RDC-guided docking using PATIDOCK-t for the SINGLE dataset based on experimental RDC data.

Protein	PDBa	Δcb	RMSDRDCc	Time(s)d	#Sol.e
B1 domain of protein G	3gb1	2.07	1.13	0.58	2
B3 domain of protein G	2oed	4.15	1.32	0.61	2
Cyanovirin-N	2ezm	5.01	4.00	0.75	2
Gα interacting protein	1cmz	6.19	1.34	0.80	2
Ubiquitin	1d3z	3.86	1.35	0.75	2
Hen lysozyme	1e8l	3.42	7.24	0.94	2
Oxidized putidaredoxin	1yjj	5.17	4.50	1.13	2
Mean		4.27	2.98	0.79	2.00

^aThe RCSB Protein Data Bank code for protein coordinates. First model from the ensemble of NMR structures was used for all calculations.

^bThe distance (in Å) between the original and the predicted center of the second domain.

^cThe RMSD (in Hz) between the experimental and the predicted RDC values at the best predicted minimizer.

^dThe elapsed time (in seconds) required for docking.

^eThe number of possible solutions, all of which have a very similar predicted alignment tensor.