Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTHVHFPWYLHSIRKQRRNTCNILQNLVSNSKTSLQNAPVLYLRFLASYRVSSETTASEAICLPTIAEIEAATELISAPDASAKVVRVNERFAVKMGYGI-----PLIEAENMKFLAAN-SKVPVPKVHAAFRDPDTNKTYIIMEYLPGHTLEK-LLPSLDPVEKATISNLIKDAITELRKGLDPKISGPFAN-----QGDMNLAI---IEKIRQ--TESDQYIRLLRNMIDRTL-----NSHRSVFTHGDLQPKNIMVERFGDRNVCPQFRISLLDWESAGWYPELWDFCNATIACRFKPDWLELVPDILEQYPVEFLMMQVVYSSVFY 4DCA Chain:A ((45-272)) -----------------------------------------------------------------------------LSSGDDSDTFLCNEQYVVKVPKRDSVRISQKRELELYRFLENCKLSYQIPAVVYQ------SDRFNIMKYIKGERITYEQYHKLSEKEKDALAYDEATFLKELHSIEIDCSVSLFSDALVNKKDKFLQDKKLLISILEKEQLLTDEMLEHIETIYENILSNAVLFKYTPCLVHNDFSANNMIFRNNR--------LFGVIDFGDFNVGDPDNDFLCLLDCST-DDFGKEFGRKVLKYYQHKAP-----------

General information: TITO was launched using: RESULT: Template: 4DCA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 729 -3263 -4.48 -15.84 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -4.48 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.263

(partial model without unconserved sides chains): PDB file : Tito_4DCA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4dca-query.scw PDB file : Tito_Scwrl_4DCA.pdb: