Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MANGNKQAGQRISPSLTLLLATACGIIVANLYYAQPLVGLI-SKAIGLSPSGAGLIVTLTQIGYVAGLLFLVPLGDIIENKKLIVVSLLLSAAALTLTAFV-----KHGTLFLAAAFFVGLGSIAAQVLVPFASYLASDAARGRVVGNVMSGLLLGIMLSRPISSLVAD-----IWGWNA-------------IFALSAVVSVILAIVLSKVLPARKPTANTNYTALLGSMWKLLRTTPVLRRRAIYHAFVFGAFSLFWTTVPLLLSGPDFHFSQKAIALY-ALVGIAGAVTAPIGGRLADRGLTRLATGIALGVVVVSLLLPLMIQSSSP--VGIT----VLVAAAILLDMGVSANLVLSQRAIFS-L-----------------APEIRSRLNGLFMAIFFLGGAIGSSIGGWAYASGG-WSTALWIGIAFPVIALLYFITEK 4U4V Chain:A ((57-450)) -----------------------------------AVAVNLPKVGFNFTTDQLFMLTALPSVSGALLRVPYSFMVPIFGGRRWTAFSTGILIIPCVWLGFAVQDTSTPYSVFIIISLLCGFAGANFASSMANISFFFPKQKQGGALGLNGGLGNMGVSVMQLVAPLVVSLSIFAVFGSQGVKQPDGTELYLANASWIWVPFLAIFTIAAWFGMNDLAT--------------LPVLKRGHLWIMSLLYLATFGSFIGFSAGFAMLSK---TQFPDVQILQYAFFGPFIGALARSAGGALSDRLGGTRVTLVNFILMAIFSGLLFLTLPTD-QGGSFMAFFAVFLALFLTAGLGSGSTFQMISVIFRKLTMDRVKAEGGSDERAMREAATDTAAALGFISAIGAIGGFFIPKAFGSSLALTGSPVGAMKVFLIFYIACV-------

General information: TITO was launched using: RESULT: Template: 4U4V.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 : 1680 -287633 -171.21 -858.61 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -171.21 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.311

(partial model without unconserved sides chains): PDB file : Tito_4U4V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4U4V-query.scw PDB file : Tito_Scwrl_4U4V.pdb: