Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQEVADALRLDTELSADSAAYIEELYEQYLTSPTSVAEDWRQYFDKYPKGDQPHSAVREQFLLLGRNANRVQPVVQSTVSTEHERRQIGVLQLIAAYRNRGHQKAKLDPLGL--AKREDIPDLDLSAHGLTKSDLDTVFNTGNLEIGKSEATLAEMIEAMEAIYCGSIGVEYMHIVDTKEKRWIQQRLESARGKFNFSNEQKKGFLERLTAAEGLEKYLGNKYVGAKRFGVEGGESFIPMVNEIIQRAGAVGCKEVVIGMPHRGRLNLLVNIMGKNPADLFGEFEGK--ALHKKGSGDVKYHQGFSSNVMTPGGE--VHLALAFNPSHLEIVGPVVEGSVRARQ--VRRRDIGGDD---VLPVIVHGDAAFAGQGVNMETFQMSQTRGYTVGGTVHIIVNNQVGFTTSDPRDARSTEYCTDVAKMIQAPIFHVNGDDPEAVIFATQLAHDFRHEFRKDVVIDLFCYRRRGHNEADEPSGTQPLMYQVIAKKATTRTLYADQLVQEKVLDRAEADQMVEDYRADLEAGNHVANALI---LEPNTKMFVDWTPYLGHEYTDDWDTSFDINRLKELGEGMSKLPEGFVMQRQVQKVIEDRVKMQTGETPLNWGAAETLAYATLLDEDYLVRITGEDVGRGTFSHRHAKLHNQVDGSTYIPLCHVKENQP------RFAIYDSLLSEEAVLAFEYGYATTIPKSLIIWEAQFGDFVNCAQVVIDQFIASGETKWERVCGLTMLLPHGFEGQGPEHSSARLERFLQLCAEDNMQVITPTTPAQIFHALRRQAVRPIRKPLIVMSPKSLLRHKLATSTLEELAHGSFQTVIDEI----DQINKSDVTRLVLCGGKVYYDLLEKRREQNLTNVAIVRIEQLYPYPEQRLAEILAAYPNVKELVWAQEEPKNQGAWL---FIAPHLYDDILKSGKQIRISFAGREASAAPACGSPYLHAKQQAQLINDALAIEAEQSGDSQ 3ZHU Chain:D ((5-868)) -----------------------------------------------------------------------------------EDKNARVIELIAAYRNRGHLMADIDPLRLDNTRFR-----------LTLWDLDREFKVDG---GVQRKKLRDILSVLRDAYCRHVGVEYTHILEPEQQRWIQERVETKHDKPTVA--EQKYILSKLNAAEAFETFLQTKYVGQKRFSLEGAETVIPMMDAVIDQCAEHGLDEVVIAMPHRGRLNVLANIVGKPYSQIFSEFEGNLNPSQAHGSGDVKYHLGATGTYIQMFGDNDIEVSLTANPSHLEAVDPVLEGLVRAKQDLLDTGEEGSDNRFSVVPLMLHGDAAFAGQGVVAETLNLALLRGYRTGGTIHIVVNNQIGFTTA-PTDSRSSEYCTDVAKMIGAPIFHVNGDDPEACAWVARLAVDFRQAFKKDVVIDMLCYRRRGHNEGDDPSMTQPYMYDVIDTKRGSRKAYTEALIGRGDISMKEAEDALRDYQGQLERVFNEVRELEKHEIEPSESVEAD------QQIP--LATAVDKAMLQRIGDAHLALPEGFTVHPRVRPVLEKRREMAY-EGRIDWAFAELLALGSLIAEGKLVRLSGQDTQRGTFTQRHAVIVDRKTGEEFTPLQLLATNPDGTPTGGKFLVYNSALSEFAAVGFEYGYSVGNPDAMVLWEAQFGDFVNGAQSIIDEFISSGEAKWGQLSDVVLLLPHGHEGQGPDHTSGRIERFLQLWAEGSMTIAMPSTPANYFHLLRRHGKDGIQRPLIVFTPKSMLRNKAAVSDIRDFTESKFRSVLEEPMYTDGEGDRNKVTRLLLTSGKIYYELAARKAKENREDVAIVRIEQLAPLPRRRLAETLDRYPNVKEKFWVQEEPANQGAWPSFGLTLPEILPDHFTGLKRI-----SRRAMSAPSSGSSKVHAVEQQEILDTAFG----------

General information: TITO was launched using: RESULT: Template: 3ZHU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 4799 105971 22.08 128.92 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain D : 0.82 3D Compatibility (PKB) : 22.08 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.459

(partial model without unconserved sides chains): PDB file : Tito_3ZHU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ZHU-query.scw PDB file : Tito_Scwrl_3ZHU.pdb: