Stc - How to Calculate sConf

Here is how sConf is calculated in the stc input window.

Although stc will calculate "sConf" automatically, the user has several options in determining how it is calculated. First note that calculating sConf for each residue is the summation of the individual entropy components "dSbu->ex", "dSex->u", and "dSbb". dSbu->ex is calculated from the amino acid table . dSex->u and dSbb are normally zero unless the user has specified residue ID numbers for residues that remain unfolded. In this case, these components are taken from the amino acid table .

Some users have experimental values for dSbb or dSex->u. In this case an optional sconf file allows the user to specify values of dSbb and dSex->u for each residue. You must click the "calculate from datafile" button in order to use these values or "estimate" which weights the dSex->u values according to total sidechain ASA of the molecule.

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