Affiliations: Bioinformatics and Computational Biology Division,
School of Bio-Technology, Chemical and Bio-Medical Engineering, VIT UNIVERSITY,
Vellore-632014, India
Abstract: We have explored the roles played by C-H…π hydrogen bonds in interleukins. Main-chain to side-chain
C-H…π interactions are the predominant type of
interactions in interleukins. There was an average of 15 C-H…π interactions per protein and also there was an average of one
significant C-H…π interaction for every 14 residues
in the interleukins investigated. Significant contribution to
C-H…π interactions was only from Asp, Gly, His,
Lys, Phe, Pro, Ser, Thr, Trp and Tyr in interleukins. Trp contributed both
donor and acceptor atoms in main-chain to side-chain, main-chain to side-chain
5 member aromatic ring and side-chain to side-chain C-H…π interactions. Short and medium-range
C-H…π interactions are the predominant type of interactions in
interleukins. More than 50% of C-H…π interacting residues had a
conservation score of ⩾ 6. Significant percentage of
C-H…π interacting residues had one or more
stabilization centers; hence these residues may also contribute additional
stability to structure of interleukins.
Keywords: C-H…π interactions, solvent accessibility, short range interactions, stabilization centers, interleukins