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14.3 Local Flexibility
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This option systematically samples rotamers for each residue side-chain in the input selection and uses resulting conformational ensembles to evaluate energy-weighted RMSDs for every side-chain atom. These are stored in the 'field' values on atoms and can be used for example to color the structure by side-chain flexibility. Conformational entropy for each residue side-chain is also calculated and stored in a table. If l_entropyBfactor flag is on, the atom rmsds are normalized within the residue to reflect its total conformational entropy. If l_bfactor flag is set, the bfactors are reset to the same values that are placed in the atom 'field', and occupancy is set to be inversely proportional to it ( O=1/(1+2*rmsd) )


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Protein-Protein Interface Prediction