Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNDIRFPGWIKSSPTLVMASVLAQLLTDECAEATSSATAGAPRPPSEACVPDGRERWPRHNFGEDISSSCSDGGGGVDLSDSDASECEGCYDPDRDAMHSGGGVDTGYLRMVDRLLELNSKELDSLPPAAATAAATTYLPPKAVTAPATAMQTAIAGSWPRGSGVLFTRQNGGVSMSNLGASPDILRNPRVRTLLRLSRLNDVLTRAEAAQPLISRRTAAAMVSFFAFAVSCRYSGLPVDRTKGFFTECSALYTTLLSKLRSLRFGGGVSLEDFTAALVACGLKLRCDEDVEGDEKDGHGGTNEAGVTGAGTAGIPCSGRSNSSSAVASGAAPMGSCGGAGVRTPTQPSFGRDKNYGLVGFGHRALDAIFVRCIPSNIDECVHDPVALGVLRGISLTHSQQLFYLGPELVNHLHDLTDAFATSSHRRELSYKRVLSVLLEAISCSRVIDYERTNNWITAVIQERYVVRGLFQREELHAHVVTATLTMLIRQYQEMAKECASKVVDLGSMPDFTEGDQLIELVWKALQDTIGSWEDAVTTAEKHPLTLFRHNIDMVVQHLLRTEVERLRCYYIITSATAAYHQSLVGMSAGTRTTRNQSGCPPAVPQLAPGREEQRGASQRGRDTLRGQDGNTRRDSDAPAAAPYVPSAEEESLRILICSNIIKLLLLPTSIMNALPRTEEAKQLRASLTEAAARVLSVVTAKEFKSRDDTSVMKAASGRATTSAAPRSISPISAAAAMPRIRRTDAAAAGTDLFVISQRRAHFSNNFYRCIEELIHELIHTILQQSVPDDATAVANRSFLGGVPDVHPPTPPTSDASSDAILRGMVAAVCIQYMCSTNQHLRSFAISEVMDAVVRLSARCGAEEAATATHGSLGRKGSSHTARASGNNSNGSPAAAPQGTVVGAAAADPEEERKHATHLRARQLALCFDALSAILVPTVVVEGYHHVAEEQEERAGLARSCTTTSARGDSKREELSRYGQLLCDTYVDSLREHLWSLGEGSVSRHKLLTPVMTVAVKAFVNLVLRVHERLRGMSSMALALVQEAEAAREGPGKGTRRSAGVIARDRARLLHAFNAERMSVVLLLRGVIQNMLSVAWPSSGVLYQDPACGWERPLNKTTSAVMAPLALAVLSPFFRPLTMLLHLSTLFPVRSLKQLCTHYQYARYLTLEDPSTSDQYMFYYYRRLSRALVAAEADDSGGSGAGPAEQVELECWALFRSCWMMFSYYKYTAEALMAVRAGGMAPMESANPAAAAAALARAPILSTKQCKLLRLIAASAAPLLRMCSSDVQQAMADVAVLLRYTLAGALHCPMVVADVTAKSGIVHASLYKSLKRLCGGRKECWKRLSMGELMLLQCVAELEILRAAAGSVAQLTLYRHFEVREFVASAAIPEALGHILSTACDHYIEAVRSMLPGVAFQVTRTDLMQLVFLVGFAIGSVRESASKLVLCVVRSFPTYAAYASALPLLWCMLDLLEAGTAGQIESLCEHVRFSTVPAVAADPHSVERQQHVLFVADVAERWAAILQDKAPIALFETAIKFMVIQQQECGEQATTQAGRHHAGSRLAVLASLYRVEETPPNLDDSAITVMRGAGAAGHVVKTEYAQTLLLHGRAQGAMQASSWYASAGQMQSTVVAQLWAATRLCRRALASAVAQRLESNLLRPARALFVETGYSVGTVLAPRASTVADEDAAAQEMGVTRVPLGAPARAETAASFAAAVALLVTGSGTPIGRRQLLQYLVQGAVQTFRSDVLYEAILCWKWLLSQNREAYLLPMLQELDTAFVWTAANRLGLFDGYCSSKNRQVQTGDVPIPHNTVSARGQRGARVPEEAAVYVADNVDSASPHKLLLSFLADMYVEEGSPLCLSPEVLRQLYLVAAHIMQFAAVLSLRDDMFGETMRCFLVVGSIAQLLREANVRQLRAGLLTLVPFPAIGALRQRWYKALLRWFTKTPPSWYYAKDPVLAREEAKVLSSLSQLIKEEADLLTRTTLGFLDFSSGVQRERDMPHVHHWESLSVVREAVAAVRQATDGGEAGLPKLIVREKLRLQGLLHLLRVLVEHEVLRLSVWRTPRRTLKIPNTTPSVGWGKLIECADHHNPEVVVAMVYRFSSIPAVRLAASQRVVAH--------PERYSNVAEAVDLYLTEDVLRAGAPRLFLFCSCTIIQALRLLDPRYAAYKTVNSYAIRSLLSQRSEKLIFYLPQLLQLLATDE--SGSIEAFLVRTSARSTMFAHQLLWSLQTESEGSGALAKKCQQVERRIKAAFTPNEEAFYRSEFAFVDLMTSLSGEIMKFDKP----ERKAQLRLRLKDDVFHALPKLRHLYLPTDPNYRITDVIPHTAGAMQSAAKCPILVQFTCVPRTAEDALTPDDVDSAAADEHGHGAGNSHSDPVSRPVVKACIFKMGDDCRQDQISLQLIGLIQRILNSVGVPSFLYPYRVITTGQSSGIIECVPRSRSRNEIGKLV--ESNVAEFFVQTFGHPESAGFRRARENFVRSTAAYSVVSFILNIKDRHNGNIMIDADGNLVHIDFGFLFDTSPGGDINFESSPFKLTTEMVQLIGMDVSGESTLQSKTLARALVDEENYIYFKTLVNRCYLAVRQYAREICVMVELMLRSGLPCFKPKKTIADLAQRLAVDKNEIEAADYMRRLIHESRQNFTTVLYDYYQKVAEGIEM 5VLR Chain:A ((507-1011)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LYEHEKDLVWKLRHEVQEHFPEALARLLLVTKWNKHEDVAQML-YLLCSWPELPVLSALELLDFSFP-DCHVGSFAIKSLRKLTDDELFQYLLQLVQVLKYESYLDCELTKFLLDRALANRKIGHFLFWHLRSEMHVP-SVALRFGLILEAYCRGSTH-HMKVLMKQGEALSKLKALNDFVKLSSQKTPKPQTKELMHLCMRQEA--YLEALSHLQSPLDPSTLLAEVCVEQCTFMDSK-MKPLWIMYSNEEA-----------------------------------SVGIIFKNGDDLRQDMLTLQMIQLMDVLWKQEGLDLRMTPYGCLPTGDRTGLIEVVLRSDTIANIQLN-FNKDALLNWLKSKNPG---EALDRAIEEFTLSCAGYCVATYVLGIGDRHSDNIMIRESGQLFHIDFGHFLGNF----INRERVPFILTYDFVHVIQQG-KT-------------NNSEKFERFRGYCERAYTILRRHGLLFLHLFALMRAAGLPELSCSKDIQYLKDSLALGKTEEEALKHFRVKFNEALRESW----------------

General information: TITO was launched using: RESULT: Template: 5VLR.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 : 2177 -21814 -10.02 -46.31 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.53 3D Compatibility (PKB) : -10.02 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.512

(partial model without unconserved sides chains): PDB file : Tito_5VLR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5VLR-query.scw PDB file : Tito_Scwrl_5VLR.pdb: