Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRHVLIAVILFFLSIGLSAGCAEAGNKTQNQSATEVNASPLQPAEYFIYHNLMNDKGLIKTDFSDQPSYLSESLGLWMEFLLSKNDAPHFQDQYQHLTDSFLM-S--NHLVTWKIQNG------QASGTNALIDDMRIMLSLDQAAAKWGRSDYAQTARDIGTSLKTYNMNN----GFFT--DFYDSQ-AASKDVTLSYVMPDALAVLKKNGIIDEETEQRNANVLYSAPLKNGFLPKTYSSETK-EYTY---DSEINLIDQLYAAWHLPEGDEKAS---VLADWIK---QEFQKNGKLYGRYSAYTKEPAVQYESPSVYALAVLFLTKQHENSSVIKAIYDRMNDFEIHDPVKSYYGGYMSGTQTHSFDNLLPLLAERKLFNENIIQ 3QXF Chain:A ((24-344)) ---------------------------------------TWPAWEQFKKDYISQEGRVIDPSDAR-KITTSEGQSYGMFSALAANDRAAFDNILDWTQNNLAQGSLKERLPAWLWGKKENSKWEVLDSNSASDGDVWMAWSLLEAGRLWKEQRYTDIGSALLKRIAREEVVTVPGLGSMLLPGKVGFAEDNSWRFNPSYLPPTLAQYFTRFGAPWTTLRETNQRLLLETA-PKGFSPDWVRYEKDKGWQLKAEKTLISSYDAIRVYMWVGMMPDSDPQKARMLNRFKPMATFTEKNGYPPEKVDVATGKAQG-KGPVGFSAAMLPFLQ-N-RD----AQAVQRQRVADNF------------PGSDAYYNYVLTLFGQGWD-------

General information: TITO was launched using: RESULT: Template: 3QXF.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 : 1590 -86945 -54.68 -294.73 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -54.68 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.423

(partial model without unconserved sides chains): PDB file : Tito_3QXF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3QXF-query.scw PDB file : Tito_Scwrl_3QXF.pdb: