Figure 4.

TCRFlexDock success rates on the TCR docking benchmark. A: Success using a fixed backbone (Fixedbb) docking protocol is compared to TCRFlexDock with flexible CDR3 loops (CDR3) and flexible CDR loops and peptide (CDRPep). Success was evaluated for the top 1, top 10, and top 30 predictions (selected by ZRANK from 1000 RosettaDock models per test case). B: Distribution of interface backbone RMSDs of the best model among the top 30 predictions for the three docking protocols. “Initial” corresponds to the initial RMSDs of the complexes that were input to the docking search. P-values were calculated using the Wilcoxon rank sum test. [Color figure can be viewed in the online issue, which is available at wileyonlinelibrary.com.]