Fig. 4

Plot showing conformational differences in Btd ^R209C and Btd ^H447R. Outermost layer indicates reported SNVs (gray, not validated; red, non-synonymous; green, synonymous) from dbSNP. a. Conservation scores represented as a histogram (blue, signal peptide; green, CN-hyrolase domain). These values are generated as described in “ MODICT methodology” section and are not related to MODICT score. b and c. Amino acid sequences with residues colored according to their property (positively charged, red triangle; negatively charged, blue triangle, non-polar, gray circle; polar, pink circle; aromatic ring, green hexagon). d. Iterative MODICT scores of individual residue pairs (algorithm, Eq. 1) resulting from comparison with Btd ^WT. Top layer belongs to Btd ^R209C whereas bottom layer belongs to Btd ^H447R. Each blue histogram bin designates the contribution of a residue pair to the overall MODICT score (Higher bars mean more contribution as well as more the adverse effect of that residue pair on structural stability). These histogram bins are generated by iterative MODICT algorithm and are colored according to conservation. Only scores belonging to domain regions re shown. e. Important regions, SNVs and Indels are marked with boxes. (A.site = active site)