Contact map tool - Exploratory score useful outside of exploratory puzzles (use in Structure Prediction recipes)
|Opened on:||Tuesday, April 12, 2011 - 09:34|
|Last modified:||Tuesday, April 12, 2011 - 14:59|
The exploratory score in the contact map tool may be useful to detect, analyze and visualize residue co-locations in protein and mixed polymer structures outside of traditional exploratory puzzles. A recipe writer could: a. select an atom along the polymer chain; b. chooses an atom that is commonly present in every residue of the nucleic acid and/or protein structure. c. defines a distance from these atoms 1fu (foldit unit) (3-15 A). The contact map could detect every residue that is located within the defined distances from the defined "backbone" atom(s), following the player manipulating the protein in 3-D space, creating new associations for analysis in the solution space; the writer could then create an internal table-like visualization (Residue Contact Map), with an attendant exploratory score, and calculate the highest scoring frequency of every possible residue pair (Residue Contact Table) in the observed structure. The recipe writer could then restore the structures with the highest score.