Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNDIRFPGWIKSSPTLVMASVLAQLLTDECAEATSSATAGAPRPPSEACVPDGRERWPRHNFGEDISSSCSDGGGGVDLSDSDASECEGCYDPDRDAMHSGGGVDTGYLRMVDRLLELNSKELDSLPPAAATAAATTYLPPKAVTAPATAMQTAIAGSWPRGSGVLFTRQNGGVSMSNLGASPDILRNPRVRTLLRLSRLNDVLTRAEAAQPLISRRTAAAMVSFFAFAVSCRYSGLPVDRTKGFFTECSALYTTLLSKLRSLRFGGGVSLEDFTAALVACGLKLRCDEDVEGDEKDGHGGTNEAGVTGAGTAGIPCSGRSNSSSAVASGAAPMGSCGGAGVRTPTQPSFGRDKNYGLVGFGHRALDAIFVRCIPSNIDECVHDPVALGVLRGISLTHSQQLFYLGPELVNHLHDLTDAFATSSHRRELSYKRVLSVLLEAISCSRVIDYERTNNWITAVIQERYVVRGLFQREELHAHVVTATLTMLIRQYQEMAKECASKVVDLGSMPDFTEGDQLIELVWKALQDTIGSWEDAVTTAEKHPLTLFRHNIDMVVQHLLRTEVERLRCYYIITSATAAYHQSLVGMSAGTRTTRNQSGCPPAVPQLAPGREEQRGASQRGRDTLRGQDGNTRRDSDAPAAAPYVPSAEEESLRILICSNIIKLLLLPTSIMNALPRTEEAKQLRASLTEAAARVLSVVTAKEFKSRDDTSVMKAASGRATTSAAPRSISPISAAAAMPRIRRTDAAAAGTDLFVISQRRAHFSNNFYRCIEELIHELIHTILQQSVPDDATAVANRSFLGGVPDVHPPTPPTSDASSDAILRGMVAAVCIQYMCSTNQHLRSFAISEVMDAVVRLSARCGAEEAATATHGSLGRKGSSHTARASGNNSNGSPAAAPQGTVVGAAAADPEEERKHATHLRARQLALCFDALSAILVPTVVVEGYHHVAEEQEERAGLARSCTTTSARGDSKREELSRYGQLLCDTYVDSLREHLWSLGEGSVSRHKLLTPVMTVAVKAFVNLVLRVHERLRGMSSMALALVQEAEAAREGPGKGTRRSAGVIARDRARLLHAFNAERMSVVLLLRGVIQNMLSVAWPSSGVLYQDPACGWERPLNKTTSAVMAPLALAVLSPFFRPLTMLLHLSTLFPVRSLKQLCTHYQYARYLTLEDPSTSDQYMFYYYRRLSRALVAAEADDSGGSGAGPAEQVELECWALFRSCWMMFSYYKYTAEALMAVRAGGMAPMESANPAAAAAALARAPILSTKQCKLLRLIAASAAPLLRMCSSDVQQAMADVAVLLRYTLAGALHCPMVVADVTAKSGIVHASLYKSLKRLCGGRKECWKRLSMGELMLLQCVAELEILRAAAGSVAQLTLYRHFEVREFVASAAIPEALGHILSTACDHYIEAVRSMLPGVAFQVTRTDLMQLVFLVGFAIGSVRESASKLVLCVVRSFPTYAAYASALPLLWCMLDLLEAGTAGQIESLCEHVRFSTVPAVAADPHSVERQQHVLFVADVAERWAAILQDKAPIALFETAIKFMVIQQQECGEQATTQAGRHHAGSRLAVLASLYRVEETPPNLDDSAITVMRGAGAAGHVVKTEYAQTLLLHGRAQGAMQASSWYASAGQMQSTVVAQLWAATRLCRRALASAVAQRLESNLLRPARALFVETGYSVGTVLAPRASTVADEDAAAQEMGVTRVPLGAPARAETAASFAAAVALLVTGSGTPIGRRQLLQYLVQGAVQTFRSDVLYEAILCWKWLLSQNREAYLLPMLQELDTAFVWTAANRLGLFDGYCSSKNRQVQTGDVPIPHNTVSARGQRGARVPEEAAVYVADNVDSASPHKLLLSFLADMYVEEGSPLCLSPEVLRQLYLVAAHIMQFAAVLSLRDDMFGETMRCFLVVGSIAQLLREANVRQLRAGLLTLVPFPAIGALRQRWYKALLRWFTKTPPSWYYAKDPVLAREEAKVLSSLSQLIKEEADLLTRTTLGFLDFSSGVQRERDMPHVHHWESLSVVREAVAAVRQATDGGEAGLPKLIVREKLRLQGLLHLLRVLVEHEVLRLSVWRTPRRTLKIPNTTPSVGWGKLIECADHHNPEVVVAMVYRFSSIPAVRLAASQRVVAH-------PERYSNVAEAVDLYLTEDVLRAGAPRLFLFCSCTIIQALRLLDPRYAAYKTVNSYAIRSLLS-QRSEKLIFYLPQLLQLLATDE--SGSIEAFLVRTSARSTMFAHQLLWSLQTESEGSGALAKKCQQVERRIKAAFTPNEEAFYRSEFAFVDLMTSLSGEIMKFDKPERKA----QLRLRLKDDVFHALPKLRHLYLPTDPNYRITDVIPHTAGAMQSAAKCPILVQFTCVPRTAEDALTPDDVDSAAADEHGHGAGNSHSDPVSRPVVKACIFKMGDDCRQDQISLQLIGLIQRILNSVGVPSFLYPYRVITTGQSSGIIECVPRSRSRNEIGKLV--ESNVAEFFVQTFGHPESAGFRRARENFVRSTAAYSVVSFILNIKDRHNGNIMIDADGNLVHIDFGFLFDTSPG-GDINFESSPFKLTTEMVQLIGMDVSGESTLQSKTLARALVDEENYIYFKTLVNRCYLAVRQYAREICVMVELMLRSGLPCFKPKKTIADLAQRLAVDKNEIEAADYMRRLIHESR-QNFTTVLYDYYQKVAEGIEM 4JPS Chain:A ((542-1061)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EITEQEKDFLWSHRHYCVTIPEILPKLLLSVKWNSRDEVAQ-MYCLVKDWPPIKPEQAMELLDCNYP-DPMVRGFAVRCLEKYLTDDKLSQYLIQLVQVLKYEQYLDNLLVRFLLKKALTNQRIGHFFFWHLKSEMHNK-TVSQRFGLLLESYCRACGM-YLKHLNRQVEAMEKLINLTDILKQEKKDETQKVQMKFLVEQMRRPDF--MDALQGFLSPLNPAHQLGNLRLEECRIMSSA-KRPLWLNWENPDIM----------------------------SELLFQNNEIIFKNGDDLRQDMLTLQIIRIMENIWQNQGLDLRMLPYGCLSIGDCVGLIEVVRNSHTIMQIQCK-FNSHTLHQWLKDKNKG---EIYDAAIDLFTRSCAGYCVATFILGIGDRHNSNIMVKDDGQLFHIDFGHFLDHKKKKFGYKRERVPFVLTQDFLIVISKG-AQEC-----------TKTREFERFQEMCYKAYLAIRQHANLFINLFSMMLGSGMPELQSFDDIAYIRKTLALDKTEQEALEYFMKQMNDAHHGGWTTKMDWIFHT-------

General information: TITO was launched using: RESULT: Template: 4JPS.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 : 2267 15392 6.79 31.16 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.53 3D Compatibility (PKB) : 6.79 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.490

(partial model without unconserved sides chains): PDB file : Tito_4JPS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JPS-query.scw PDB file : Tito_Scwrl_4JPS.pdb: