Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLRVRLRVPKQWDRFQVNIDEELQQEELSRTLTEREIDDFNRRNLHSVSELSDHLRLLVFGSDECVTCSEDICAAVEYIVGPQRRWNSSCDEVCEFRRAISRAYLNEWKAFQSVHPSVPERLATRSLPQVFSVPPLQKAQMDLLMQMCPRNAETGDGSISMRLWYLDSAGSRCSTRRRFPFDTAADDAIRLTMSSAREFASMREKTDDTPLIFVFRVKGRNEYIYGSQPLINYRYIRHCVSKRAEIDLVVEPKEATLFAVPL---FRPSYPSRTLASPSDADASKSSTSEICLWDLTSKLSIRIVGGFEKLAISASRMKDENVRDSSSLYFAVLVEAYVGTWRCCEPQITDWQLCENAKNSHSLAARVYWKDGGTVTFSIDLSNVPRELKLCFTLVASSTDRIVGARAATAEEVIAAVEVNTKKTDDQGHSVFFLGTAATQLFDYAAKMRMGMWRIYLWEG----KTRANPIGLNSINPDSNACTFEVEFPCFDKPVFFPSGRPPKRKEEDA------RRNFADREAALSSYLI-NNEVEQ--LRQLKRVLMYDPLVHLSSDDKTILWKYREMLLGQPKAMAKVMSAVNWLMPFDVYEAHCLLRRWSPLAAFDALELLDAHYADLAVREQAVEYIDK-MSDYELRGCILQLVQVLKYEPYHYSALARFLLRRSLRSNHIIGHYVFWYLAAEVKNLTICERHGLLLEELIKRSPHRLDYV-RQVYVCNELLKCALRVQRAPKKDRVKCLRAS--LAKVRFP------HRFTLALNPSVECCAVDIDECKVMESKKFPLWLAFRNHLDQDEHFF----IIFKSGDDLRQDLLTLQLLEFMDSLWKASGLDLHLIPYGCISTGEGVGMIEVVLNSDTIANITRREGGAQAA--FNVDPIINWLRQFNHDRGEV-ERCLWNFVLSVAGYTVATYVLGIGDRHNDNIMLRQDGTLFHIDFGHFLGNFKTKFGIKRETAPFIFTPMYLYAMGGSSSPI-----FKYFVDVACRAYNALRRHSSALMMLFMLMLSTGIPELQTLEDIEWLRTVLLLNRTDEEASDHYKGLINDALGNFRTLLNDYIHIMVH 5SXC Chain:A ((278-1080)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YILKVCGCDEYFLEKYPLSQYKYIRSCIMLGRMPNLMLMAKESLYSQLPMDCFTMPSYS--------------STKS---LWVINSALRIKIL---------CATYVNVNIRDIDKIY------VRTGIYHGGEP------LCDNVNTQRVPCSNPRWNEW--LNYDIYIPDLPRAARLCLSICS------V---------HCP------------------LAWGNINLFDYTDTLVSGKMALNLWPVPHGLEDLLNPIGVTGSNPNKETPCLELEFDWFSSVVKFPDM---SVIEEHANWSVSREAGFSYSHAGLSNRLARDNELRENDKEQLKAISTRDPLSEITEQEKDFLWSHRHYCVTIPEILPKLLLSVKWNSRDEVAQMYCLVKDWPPIKPEQAMELLDCNYPDPMVRGFAVRCLEKYLTDDKLSQYLIQLVQVLKYEQYLDNLLVRFLLKKAL-TNQRIGHFFFWHLKSEMHNKTVSQRFGLLLESYCRACGMYLKHLNRQVEAMEKLINLT-DILKQEKKDETQKVQMKFLVEQMRRPDFMDALQGFLSPLNPAHQLGNLRLEECRIMSSAKRPLWLNWENPDIMSELLFQNNEIIFKNGDDLRQDMLTLQIIRIMENIWQNQGLDLRMLPYGCLSIGDCVGLIEVVRNSHTIMQIQCK-GGLKGALQFNSHTLHQWLKDKN--KGEIYDAAIDLFTRSCAGYCVATFILGIGDRHNSNIMVKDDGQLFHIDFGHFLDHKKKKF---RERVPFVLTQDFLIVISKGAQECTKTREFERFQEMCYKAYLAIRQHANLFINLFSMMLGSGMPELQSFDDIAYIRKTLALDKTEQEALEYFMKQMNDAHHGGWT-----------

General information: TITO was launched using: RESULT: Template: 5SXC.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 : 3514 -138158 -39.32 -186.95 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -39.32 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.473

(partial model without unconserved sides chains): PDB file : Tito_5SXC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5SXC-query.scw PDB file : Tito_Scwrl_5SXC.pdb: