Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQEVADALRLDTELSADSAAYIEELYEQYLTSPTSVAEDWRQYFDKYPKGDQPHSAVREQFLLLGRNANRVQPVVQSTVSTEHERRQIGVLQLIAAYRNRGHQKAKLDPLGLAKREDIPDLDLSAHGLTKSDLDTVFNTGNLEIGKSEATLAEMIEAMEAIYCGSIGVEYMHIVDTKEKRWIQQRLESARGKFNFSNEQKKGFLERLTAAEGLEKYLGNKYVGAKRFGVEGGESFIPMVNEIIQRAGAVGCKEVVIGMPHRGRLNLLVNIMGKNPADLFGEFEGKALHKKGSGDVKYHQGFSSNVMTPGG--EVHLALAFNPSHLEIVGPVVEGSVRARQVR-----RRDIGGDDVLPVIVHGDAAFAGQGVNMETFQMSQTRGYTVGGTVHIIVNNQVGFTTSDPRDARSTEYCTDVAKMIQAPIFHVNGDDPEAVIFATQLAHDFRHEFRKDVVIDLFCYRRRGHNEADEPSGTQPLMYQVIAKKATTRTLYADQLVQEKVLDRAEADQMVEDYRADLEAGNHVANALILEPNTKMFVDWTPYLGHEYTDDWDTSFDINRLKELGEGMSKLPEGFVMQRQVQKVIEDRVKMQTGETPLNWGAAETLAYATLLDEDYLVRITGEDVGRGTFSHRHAKLHNQVDGSTYIPLCHVKENQP------RFAIYDSLLSEEAVLAFEYGYATTIPKSLIIWEAQFGDFVNCAQVVIDQFIASGETKWERVCGLTMLLPHGFEGQGPEHSSARLERFLQLCAEDNMQVITPTTPAQIFHALRRQAVRPIRKPLIVMSPKSLLRHKLATSTLEELAHGSFQTVI----DEIDQINKSDVTRLVLCGGKVYYDLLEKRREQNLTNVAIVRIEQLYPYPEQRLAEILAAYPNVKELVWAQEEPKNQGAWLFIAPHLYDDILKSGKQIRISFAGREASAAPACGSPYLHAKQQAQLINDALAIEAEQSGDSQ 2YIC Chain:A ((7-868)) -------------------------------------------------------------------------------------KNARVIELIAAYRNRGHLMADIDPL---------RLDNTRFRSTLWDLDREFQR---------KKLRDILSVLRDAYCRHVGVEYTHILEPEQQRWIQERVETKHDKP--TVAEQKYILSKLNAAEAFETFLQTKYVGQKRFSLEGAETVIPMMDAVIDQCAEHGLDEVVIAMPHRGRLNVLANIVGKPYSQIFSEFE----------DVKYHLGATGTYIQMFGDNDIEVSLTANPSHLEAVDPVLEGLVRAKQDLLDTGEEGSDNRFSVVPLMLHGDAAFAGQGVVAETLNLALLRGYRTGGTIHIVVNNQIGFTTA-PTDSRSSEYCTDVAKMIGAPIFHVNGDDPEACAWVARLAVDFRQAFKKDVVIDMLCYRRRGHNEGDDPSMTQPYMYDVIDTKRGSRKAYTEALIGRGDISMKEAEDALRDYQGQLERVFNEVRELEKHL--------------------ATAVDKAMLQRIGDAHLALPEGFTVHPRVRPVLEKRREMAYEG-RIDWAFAELLALGSLIAEGKLVRLSGQDTQRGTFTQRHAVIVDRKTGEEFTPLQLLATNPDGTPTGGKFLVYNSALSEFAAVGFEYGYSVGNPDAMVLWEAQFGDFVNGAQSIIDEFISSGEAKWGQLSDVVLLLPHGHEGQGPDHTSGRIERFLQLWAEGSMTIAMPSTPANYFHLLRRHGKDGIQRPLIVFTPKSMLRNKAAVSDIRDFTESKFRSVLEEPMYTDGEGDRNKVTRLLLTSGKIYYELAARKAKENREDVAIVRIEQLAPLPRRRLAETLDRYPNVKEKFWVQEEPANQGAWPSFGLTLPEILPDHFT--GLKRISRRAMSAPSSGSSKVHAVEQQEILDTAFG----------

General information: TITO was launched using: RESULT: Template: 2YIC.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 : 4670 21222 4.54 26.63 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : 4.54 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.495

(partial model without unconserved sides chains): PDB file : Tito_2YIC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2YIC-query.scw PDB file : Tito_Scwrl_2YIC.pdb: