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. 2014 Feb 13;10(2):e1003470. doi: 10.1371/journal.pcbi.1003470

Table 5. The effect of mutations on the MKK4-JNK3, MKK7-JNK3 and IL1A(IL-1α)-IL1R1 interactions.

Interacting Proteins Template Interface Energy
JNK3 (3fv8A)-wt MKK4 (3alnA)-wt 1p4oAB −12.66*
JNK3 (3fv8A)-wt MKK4 (3alnA)-p.Arg154Trp 1p4oAB 12.84
JNK3 (3fv8A)-wt MKK4 (3alnA)-p.Gln142Leu 1p4oAB −41.14

The wild type target structures are energetically minimized, related residues are mutated and PRISM is re-run to predict the protein-protein interactions.

*

The new reference interactions for comparisons are the predicted interactions between energetically minimized wild type targets and for the three cases they are: MKK4-JNK3 interaction predicted using 1p4oAB template with a predicted binding energy of −12.66 energy units; MKK7-JNK3 predicted using 1ftaAC template with a predicted binding energy of −11.66 energy units; and IL1A-IL1R1 predicted using 1itbAB template with a predicted binding energy of −19.5 energy units.