Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTPEDISQNKPLLWLMAAACGLCAGVNYYCQPLIHSI-QQDFAVTQAQAALTVTFAQVSYALGLLFIVPMGDIVNKAKAIPFLMMLCAVGLFTSAFA-----VNLPMLWIGTILAGLFSVAAQVLIPLATMTVKPEKTGEIIGFLMSGLLVGILLSTSLAGLFSN-----LFHW-------------KVVYAISGILMLLLAYTLKSRLPYVMRMKLNYGQIFVSMAQLLKEEKRLLLRALTGAFAFASVSILYSTIALLMTSAHHLPDLFIGLV-PLVGIFGALSTRYIGKYADQGYTRLLTWMGCGLFLLSWICFYF-G--QT---LLSAY----VIGFALIQLALALVHTSNQSIIFR-LRP-----------------DAKSRINAIYMTTYFIGGAAGSALGIFAWNRGEWTMTCLAGVGLVVFCILFSMIDAFLQKKQMA 4U4T Chain:A ((41-433)) ----------------SVPCLLLAFCVWMLFSAVAVNLPKVGFNFTTDQLFMLTALPSVSGALLRVPYSFMVPIFGGRRWTAFSTGILIIPCVWLGFAVQDTSTPYSVFIIISLLCGFAGANFASSMANISFFFPKQKQGGALGLNGGLGNMGVSVMQLVAPLVVSLSIFAVFGSQGVKQPDGTELYLANASWIWVPFLAIFTIAAWFGMNDLAT-----------QLP-VLKRGHLWIMSLLYLATFGSFIGFSAGFAMLSK--TQFPDVQILQYAFFGPFIGALARSAGGALSDRLGGTRVTLVNFILMAIFSGLLFLTLPTDGQGGSFMAFFAVFLALFLTAGLGSGSTFQMISVIFRKLTMDRVKAEGGSDERAMREAATDTAAALGFISAIGAIGGFFIPKAFGSSLALTG-------------------------------

General information: TITO was launched using: RESULT: Template: 4U4T.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 : 1626 -280932 -172.77 -843.64 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -172.77 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.364

(partial model without unconserved sides chains): PDB file : Tito_4U4T.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4U4T-query.scw PDB file : Tito_Scwrl_4U4T.pdb: