Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQEVADALRLDTELSADSAAYIEELYEQYLTSPTSVAEDWRQYFDKYPKGDQPHSAVREQFLLLGRNANRVQPVVQSTVSTEHERRQIGVLQLIAAYRNRGHQKAKLDPLGL--AKREDIPDLDLSAHGLTKSDLDTVFNTGNLEIGKSEATLAEMIEAMEAIYCGSIGVEYMHIVDTKEKRWIQQRLESARGKFNFSNEQKKGFLERLTAAEGLEKYLGNKYVGAKRFGVEGGESFIPMVNEIIQRAGAVGCKEVVIGMPHRGRLNLLVNIMGKNPADLFGEFEGKALHKKGSGDVKYHQGFSSNVMTPGGE--VHLALAFNPSHLEIVGPVVEGSVRARQ--VRRRDIGGDD---VLPVIVHGDAAFAGQGVNMETFQMSQTRGYTVGGTVHIIVNNQVGFTTSDPRDARSTEYCTDVAKMIQAPIFHVNGDDPEAVIFATQLAHDFRHEFRKDVVIDLFCYRRRGHNEADEPSGTQPLMYQVIAKKATTRTLYADQLVQEKVLDRAEADQMVEDYRADLEAGNHVANALI--LEPNTKMFVDWTPYLGHEYTDDWDTSFDINRLKELGEGMSKLPEGFVMQRQVQKVIEDRVKMQTGETPLNWGAAETLAYATLLDEDYLVRITGEDVGRGTFSHRHAKLHNQVDGSTYIPLCHVKENQP------RFAIYDSLLSEEAVLAFEYGYATTIPKSLIIWEAQFGDFVNCAQVVIDQFIASGETKWERVCGLTMLLPHGFEGQGPEHSSARLERFLQLCAEDNMQVITPTTPAQIFHALRRQAVRPIRKPLIVMSPKSLLRHKLATSTLEELAHGSFQTVIDEI----DQINKSDVTRLVLCGGKVYYDLLEKRREQNLTNVAIVRIEQLYPYPEQRLAEILAAYPNVKELVWAQEEPKNQGAWL---FIAPHLYDDILKSGKQIRISFAGREASAAPACGSPYLHAKQQAQLINDALAIEAEQSGDSQ 3ZHT Chain:B ((6-868)) ------------------------------------------------------------------------------------DKNARVIELIAAYRNRGHLMADIDPLRLDNTRF---------------WDLDREFK---------RKKLRDILSVLRDAYCRHVGVEYTHILEPEQQRWIQERVETKHDKPTVA--EQKYILSKLNAAEAFETFLQTKYVGQKRFSLEGAETVIPMMDAVIDQCAEHGLDEVVIAMPHRGRLNVLANIVGKPYSQIFSE------------DVKYHLGATGTYIQMFGDNDIEVSLTANPSHLEAVDPVLEGLVRAKQDLLDTGEEGSDNRFSVVPLMLHGDAAFAGQGVVAETLNLALLRGYRTGGTIHIVVNNQIGFTTA-PTDSRSSEYCTDVAKMIGAPIFHVNGDDPEACAWVARLAVDFRQAFKKDVVIDMLCYRRRGHNEGDDPSMTQPYMYDVIDTKRGSRKAYTEALIGRGDISMKEAEDALRDYQGQLERVFNEVRELEKH----------------------LATAVDKAMLQRIGDAHLALPEGFTVHPRVRPVLEKRREMAY-EGRIDWAFAELLALGSLIAEGKLVRLSGQDTQRGTFTQRHAVIVDRKTGEEFTPLQLLATNPDGTPTGGKFLVYNSALSEFAAVGFEYGYSVGNPDAMVLWEAQFGDFVNGAQSIIDEFISSGEAKWGQLSDVVLLLPHGHEGQGPDHTSGRIERFLQLWAEGSMTIAMPSTPANYFHLLRRHGKDGIQRPLIVFTPKSMLRNKAAVSDIRDFTESKFRSVLEEPMYTDGEGDRNKVTRLLLTSGKIYYELAARKAKENREDVAIVRIEQLAPLPRRRLAETLDRYPNVKEKFWVQEEPANQGAWPSFGLTLPEILPDHFTGLKRI-----SRRAMSAPSSGSSKVHAVEQQEILDTAFG----------

General information: TITO was launched using: RESULT: Template: 3ZHT.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 4560 108422 23.78 138.12 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : 23.78 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.478

(partial model without unconserved sides chains): PDB file : Tito_3ZHT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ZHT-query.scw PDB file : Tito_Scwrl_3ZHT.pdb: