Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNDIRFPGWIKSSPTLVMASVLAQLLTDECAEATSSATAGAPRPPSEACVPDGRERWPRHNFGEDISSSCSDGGGGVDLSDSDASECEGCYDPDRDAMHSGGGVDTGYLRMVDRLLELNSKELDSLPPAAATAAATTYLPPKAVTAPATAMQTAIAGSWPRGSGVLFTRQNGGVSMSNLGASPDILRNPRVRTLLRLSRLNDVLTRAEAAQPLISRRTAAAMVSFFAFAVSCRYSGLPVDRTKGFFTECSALYTTLLSKLRSLRFGGGVSLEDFTAALVACGLKLRCDEDVEGDEKDGHGGTNEAGVTGAGTAGIPCSGRSNSSSAVASGAAPMGSCGGAGVRTPTQPSFGRDKNYGLVGFGHRALDAIFVRCIPSNIDECVHDPVALGVLRGISLTHSQQLFYLGPELVNHLHDLTDAFATSSHRRELSYKRVLSVLLEAISCSRVIDYERTNNWITAVIQERYVVRGLFQREELHAHVVTATLTMLIRQYQEMAKECASKVVDLGSMPDFTEGDQLIELVWKALQDTIGSWEDAVTTAEKHPLTLFRHNIDMVVQHLLRTEVERLRCYYIITSATAAYHQSLVGMSAGTRTTRNQSGCPPAVPQLAPGREEQRGASQRGRDTLRGQDGNTRRDSDAPAAAPYVPSAEEESLRILICSNIIKLLLLPTSIMNALPRTEEAKQLRASLTEAAARVLSVVTAKEFKSRDDTSVMKAASGRATTSAAPRSISPISAAAAMPRIRRTDAAAAGTDLFVISQRRAHFSNNFYRCIEELIHELIHTILQQSVPDDATAVANRSFLGGVPDVHPPTPPTSDASSDAILRGMVAAVCIQYMCSTNQHLRSFAISEVMDAVVRLSARCGAEEAATATHGSLGRKGSSHTARASGNNSNGSPAAAPQGTVVGAAAADPEEERKHATHLRARQLALCFDALSAILVPTVVVEGYHHVAEEQEERAGLARSCTTTSARGDSKREELSRYGQLLCDTYVDSLREHLWSLGEGSVSRHKLLTPVMTVAVKAFVNLVLRVHERLRGMSSMALALVQEAEAAREGPGKGTRRSAGVIARDRARLLHAFNAERMSVVLLLRGVIQNMLSVAWPSSGVLYQDPACGWERPLNKTTSAVMAPLALAVLSPFFRPLTMLLHLSTLFPVRSLKQLCTHYQYARYLTLEDPSTSDQYMFYYYRRLSRALVAAEADDSGGSGAGPAEQVELECWALFRSCWMMFSYYKYTAEALMAVRAGGMAPMESANPAAAAAALARAPILSTKQCKLLRLIAASAAPLLRMCSSDVQQAMADVAVLLRYTLAGALHCPMVVADVTAKSGIVHASLYKSLKRLCGGRKECWKRLSMGELMLLQCVAELEILRAAAGSVAQLTLYRHFEVREFVASAAIPEALGHILSTACDHYIEAVRSMLPGVAFQVTRTDLMQLVFLVGFAIGSVRESASKLVLCVVRSFPTYAAYASALPLLWCMLDLLEAGTAGQIESLCEHVRFSTVPAVAADPHSVERQQHVLFVADVAERWAAILQDKAPIALFETAIKFMVIQQQECGEQATTQAGRHHAGSRLAVLASLYRVEETPPNLDDSAITVMRGAGAAGHVVKTEYAQTLLLHGRAQGAMQASSWYASAGQMQSTVVAQLWAATRLCRRALASAVAQRLESNLLRPARALFVETGYSVGTVLAPRASTVADEDAAAQEMGVTRVPLGAPARAETAASFAAAVALLVTGSGTPIGRRQLLQYLVQGAVQTFRS---DVLYEAILCWKWLLSQNREAYLLPMLQELDTAFVWTAANRLG-----LFDGYCSSKNRQVQTGDVPIPHNTVSARGQRGARVPEEAAVYVADNVDSASPHKLLLSFLADMYVEEGSPLCLSPEVLRQLYLVAAHIMQFAAVLSLRDDMFGETMRCFLVVG-SIAQLLREANVRQLRAGLLTLVPFPAIGALRQRWYKALLRWFTKT--------PPSW-----YYAKDPVLAREEAKVLSSLSQLIKEEADLLTRTTLGFLDFSSGVQRERDMPHVHHWESLSVVREAVAAVRQATDGGEAGLPKLIVREKLRLQGLLHL-LRVLVEHEVLRLSVWRTPRRTLKIPNTTPSVGWGKLIECADHHNPEVVVAMVYRFSSIPAVRLAASQRVVAH--PERYSNVAEAVDLYLTEDVLRAGAPRLFLFCSCTIIQALRLLDPRYAAYKTVNSYAIRSLLSQ-RSEKLIFYLPQLLQLLATDE--SGSIEAFLVRTSARSTMFAHQLLWSLQTESEGSGALAKKCQQVERRIKAAFTPNEEAFYRSEFAFVDLMTSLSGEIMKFDKPE-RKAQLRLRLKDDVFHALPK-LRHLYLPTDPNYRITDVIPHTAGAMQSAAKCPILVQFTCVPRTAEDALTPDDVDSAAADEHGHGAGNSHSDPVSRPVVKACIFKMGDDCRQDQISLQLIGLIQRILNSVGVPSFLYPYRVITTGQSSGIIECVPRSRSRNEIGKLVESNVAEFFVQTFGHPESAG--FRRARENFVRSTAAYSVVSFILNIKDRHNGNIMIDADGNLVHIDFGFLFDTSPGGDINFESSPFKLTTEMVQLIGMDVSGESTLQSKTLARALVDEENYIYFKTLVNRCYLAVRQYAREICVMVELMLRSGLPCFKPKKTIADLAQRLAVDKNEIEAADYMRRLIHESRQNFTTVLYDYYQKVAEGIEM 4TUU Chain:A ((107-1046)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NREEKILNREIGFAI-----GMPV---CEFDMVKDPEVQDFRRNILNVCKEAVDLRDLNSPHSRAMYVYPPNVESSPELPKHIYNKLDKGQIIVVIWVIVSPNNDKQKYTLKINHDCVPEQVIAEAIRKKTRSML-------YQGKYILKVCGCDEYFLEKYPLSQYKYIRSCIMLGRMPNLMLMAKESLYSQL---PMDCFTMPSYSRKSLWVINSALRIKILCATYVNVNDKIYVRTGIYHGGEPLCDNVNTQRVPCSNPRWNEWLNYDIYIPDLPRA-ARLCLSICSV-KEEHCPLAWGNINLFDYTD--TLVSGKMALNLWPVPHGLEDLLNPIGVTGSNPNKETPCLELEFDWFSSVVKFPDMSVIEEHANWSVSREAGFSYSHAGLSNRLARD-NELRENDKEQLKAISTRDPLSEITEQEKDFLWSHRHYCVTIPEILPKLLLSVK-WNSRDEVAQMYCLVKDWPPIKPEQAMELLDCNYPD-PMVRGFAVRCLEKYLTDDKLSQYLIQLVQVLKYEQYLDNLLVRFLLKKALTNQRIGHFFFWHLKSEMHNKTVSQRFGLLLESYCRAC--GMYLKHLNRQVEAMEKLINLTDILKQEKKDETQKVQMKFLVEQMRRPDFMDALQGFLSPLNPAHQLGNLRLEECRIMSSAKR-PLWLNWE----------NPDIMSELLFQ------------------NNEIIFKNGDDLRQDMLTLQIIRIMENIWQNQGLDLRMLPYGCLSIGDCVGLIEVVRNSHTIMQIQC---KGFNSHTLHQWLKDKNKGEIYDAAIDLFTRSCAGYCVATFILGIGDRHNSNIMVKDDGQLFHIDFGHFLD----------RVPFVLTQDFLIVIS------------------TKTREFERFQEMCYKAYLAIRQHANLFINLFSMMLGSGMPELQSFDDIAYIRKTLALDKTEQEALEYFMKQMNDA---------------------

General information: TITO was launched using: RESULT: Template: 4TUU.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 : 4253 -6660 -1.57 -7.86 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -1.57 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.259

(partial model without unconserved sides chains): PDB file : Tito_4TUU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4TUU-query.scw PDB file : Tito_Scwrl_4TUU.pdb: