File S1 - Structural Basis for the Recognition in an Idiotype-Anti-Idiotype Antibody Complex Related to Celiac Disease

Supplementary Materials. Sequence S1, AIM2 DNA sequence. Sequence S2, AIM2 protein sequence. Table S1, list of inter-residue contacts in the 22 CDR solutions. Table S2, interface features of the six structure-known Ab1-Ab2 complexes. Table S3, list of 1DVF residues more than 50% buried upon complex formation. Table S4, cosine content of the first ten MD eigenvectors calculated for 1DVF and M1_CDR. Figure S1, intermolecular contact maps generated by COCOMAPS for the M1-CDR model and the six experimental structures available for Ab1-Ab2 complexes. Figure S2, RMSD fluctuation and Gyration radius, Rγ, for M1-CDR, M2-CDR, M1-blind and 1DVF along the MD simulations. Figure S3, LGA superimposition between the N-terminal domain of TG2 in its open form and the heavy chain of AIM2. (DOCX)