Fig. 4: Systematic screening of the different fragments of a binding partner.
From: From interaction networks to interfaces, scanning intrinsically disordered regions using AlphaFold2
a Protocol used to screen the complete ligand sequence of a binding partner by analyzing all 100 amino acid long fragments against the receptor delimited by the length of its interaction domain. The fragment overlapping the correct binding site shown in orange is colored red while the other fragments are blue. b The predicted ipTM score is used to rank the different fragments and evaluate those that overlap or not with the correct binding site. c Scatter plot showing the highest ipTM score for the model containing a fragment overlapping the correct binding site compared to the highest ipTM score among models with no overlap. 35 points are represented and not 42 since 7 ligands have less than 100 amino acids. d Detailed distribution of ipTM scores for the 42 PDB cases of the benchmark with the fragment overlapping the correct binding site as a red diamond and the non-overlapping ones as blue diamonds. If two fragments overlap with the binding site, only the model with highest ipTM score is represented in panels c and d. Source data are provided as a Source Data file.
