• Requires PERL (v.5.8 or higher)

• All Library files should be kept in the current folder or as specified as in the path(s) for each file.

• For the latter one has to edit the code accordingly. shape and electrostatic complementarity profile for buried residues should also be precomputed and present as inputs (XXXX.Sm, XXXX.Em) in the current directory and provided as two successive commandline arguments (arg-1, arg-2).

• FOLD RECOGNITION :: COMPLEMENTARITY SCORE

• CS_gl, CS_cp

• Computed from side-chain shape complementarity (Sm) & electrostatic complementarity (Em) of buried amino acids at the globular protein interior

• Burial Cutoff: 0.30

• Sequence -> Threaded onto a fold -> (Sm, Em) -> CSgl, CScp

• Reference:
• ARTICLE| VOLUME 102, ISSUE 11, P2605-2614, JUNE 06, 2012
• Self-Complementarity within Proteins: Bridging the Gap between Binding and Folding
• Sankar Basu, Dhananjay Bhattacharyya, Rahul Banerjee
• Open ArchiveDOI:https://doi.org/10.1016/j.bpj.2012.04.029

Usage: ./CS_foldrec.pl <\$basename>.Sm <\$basename>.Em