Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNWYRLTVEDVLKNYQTS-TEGLSQEERQKRLTDQGYNEIKARQQTKRWKKIAKHFTDLLMIVLIIASFLKFASS----------EYIEGSIILFVVIVNGLVSYWQERKAEESLNGLKQLMGQEAIVLSNGM--QEKIPAKELVKGDVIVLRAGDVVPADIRLIEA--HDLLVEESILTGESEASEKSHAVLT-EEESIGDQKNMGFSGTLVQSGSAVGVVVETGNTTEIGKINQALQSVEQQTTPLIKKINRLNKQIFQGILCLSLFLVIFTTFRY------GMD----WHILLSATIALVVSMVPEGLPAVLTMILSVGVHEMAKEKAIIKGLPSVETLGSMTVICSDKTGTLTKNEMTVVDVAAKEE---------------------------------------ACVLSIMKNCQELKTKEE--QKTENLSGNPTEVALIRHTETANLPLK--------------------KIE--AKIPFSSEYKYMATMHAEE------KGAVIYVKGAPEVLFAKSTL----------SSAEQEAWSQTAAEFA--RKGQRVLGFAYKKVDSKQE--------LTHETLTQLTFAGIAGLIDPPKESAVKAVKECQQAGISVKMITGDHKDTAKAIAEQIGLKHTA-----KVLEGIDLDLMSDEELIQQVPIVDVFARTTPEHKLRIVKALQKNGEIVGMTGDGVNDAPALKRSDVGIAMGIKGSEVSKQAADMVLGDDNFHTIAKAVKEGRRILDNLQKTINFFLPTALAQGLILIWALMLNRPLPLSPVQILWVNMVTTITLSYALGFESPDPEIMKRPPRDPKQGILSGYHLFRIIYVSLLIMVPA----YLLAMQF-------------------------------EGQSLQQTILLQNIVLAQAVYMINCRELSKPSLNQGLLQNKALFLSLGILALLQGMVIFLPVGQQLIGTVSLTMTQQLLIGANVILLFLVVEIEKGIMNKLFRKKEKTAREYSR 3AR4 Chain:A ((4-995)) -AAHSKSTEECLAYFGVSETTGLTPDQVKRHLEKYGHNELPAEEGKSLWELVIEQFEDLLVRILLLAACISFVLAWFEEGEETITAFVEPFVILLILIANAIVGVWQERNAENAIEALKEYEPEMGKVYRADRKSVQRIKARDIVPGDIVEVAVGDKVPADIRILSIKSTTLRVDQSILTGESVSVIKHTEPVPDPRAVNQDKKNMLFSGTNIAAGKALGIVATTGVSTEIGKIRDQMAATEQDKTPLQQKLDEFGEQLSKVISLICV-AVWLINIGHFNDPVHGGSWIRGAIYYFKIAVALAVAAIPEGLPAVITTCLALGTRRMAKKNAIVRSLPSVETLGCTSVICSDKTGTLTTNQMSVCKMFIIDKVDGDFCSLNEFSITGSTYAPEGEVLKNDKPIRSGQFDGLVELATICALCNDSSLDFNETKGVYEKVGEATETALTTLVEKMNVFNTEVRNLSKVERANACNSVIRQLMKKEFTLEFSRDRKSMSVYCSPAKSSRAAVGNKMFVKGAPEGVIDRCNYVRVGTTRVPMTGPVKEKILSVIKEWGTGRDTLRCLALATRDTPPKREEMVLDDSSRFMEYETDLTFVGVVGMLDPPRKEVMGSIQLCRDAGIRVIMITGDNKGTAIAICRRIGIFGENEEVADRAYTGREFDDLPLAEQREACRRACCFARVEPSHKSKIVEYLQSYDEITAMTGDGVNDAPALKKAEIGIAMGS-GTAVAKTASEMVLADDNFSTIVAAVEEGRAIYNNMKQFIRYLISSNVGEVVCIFLTAALGLPEALIPVQLLWVNLVTDGLPATALGFNPPDLDIMDRPPRSPKEPLISGWLFFRYMAIGGYVGAATVGAAAWWFMYAEDGPGVTYHQLTHFMQCTEDHPHFEGLDCEIFEAPEPMTMALSVLVTIEMCNALNSLSENQSLMRMPPWVNIWLLGSICLSMSLHFLILYVDPLPMIFKLKALDLTQWLMVLKISLPVIGLDEILKFIARNYLEG----------

General information: TITO was launched using: RESULT: Template: 3AR4.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 : 4489 -5247 -1.17 -6.27 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -1.17 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.404

(partial model without unconserved sides chains): PDB file : Tito_3AR4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AR4-query.scw PDB file : Tito_Scwrl_3AR4.pdb: