Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNDIRFPGWIKSSPTLVMASVLAQLLTDECAEATSSATAGAPRPPSEACVPDGRERWPRHNFGEDISSSCSDGGGGVDLSDSDASECEGCYDPDRDAMHSGGGVDTGYLRMVDRLLELNSKELDSLPPAAATAAATTYLPPKAVTAPATAMQTAIAGSWPRGSGVLFTRQNGGVSMSNLGASPDILRNPRVRTLLRLSRLNDVLTRAEAAQPLISRRTAAAMVSFFAFAVSCRYSGLPVDRTKGFFTECSALYTTLLSKLRSLRFGGGVSLEDFTAALVACGLKLRCDEDVEGDEKDGHGGTNEAGVTGAGTAGIPCSGRSNSSSAVASGAAPMGSCGGAGVRTPTQPSFGRDKNYGLVGFGHRALDAIFVRCIPSNIDECVHDPVALGVLRGISLTHSQQLFYLGPELVNHLHDLTDAFATSSHRRELSYKRVLSVLLEAISCSRVIDYERTNNWITAVIQERYVVRGLFQREELHAHVVTATLTMLIRQYQEMAKECASKVVDLGSMPDFTEGDQLIELVWKALQDTIGSWEDAVTTAEKHPLTLFRHNIDMVVQHLLRTEVERLRCYYIITSATAAYHQSLVGMSAGTRTTRNQSGCPPAVPQLAPGREEQRGASQRGRDTLRGQDGNTRRDSDAPAAAPYVPSAEEESLRILICSNIIKLLLLPTSIMNALPRTEEAKQLRASLTEAAARVLSVVTAKEFKSRDDTSVMKAASGRATTSAAPRSISPISAAAAMPRIRRTDAAAAGTDLFVISQRRAHFSNNFYRCIEELIHELIHTILQQSVPDDATAVANRSFLGGVPDVHPPTPPTSDASSDAILRGMVAAVCIQYMCSTNQHLRSFAISEVMDAVVRLSARCGAEEAATATHGSLGRKGSSHTARASGNNSNGSPAAAPQGTVVGAAAADPEEERKHATHLRARQLALCFDALSAILVPTVVVEGYHHVAEEQEERAGLARSCTTTSARGDSKREELSRYGQLLCDTYVDSLREHLWSLGEGSVSRHKLLTPVMTVAVKAFVNLVLRVHERLRGMSSMALALVQEAEAAREGPGKGTRRSAGVIARDRARLLHAFNAERMSVVLLLRGVIQNMLSVAWPSSGVLYQDPACGWERPLNKTTSAVMAPLALAVLSPFFRPLTMLLHLSTLFPVRSLKQLCTHYQYARYLTLEDPSTSDQYMFYYYRRLSRALVAAEADDSGGSGAGPAEQVELECWALFRSCWMMFSYYKYTAEALMAVRAGGMAPMESANPAAAAAALARAPILSTKQCKLLRLIAASAAPLLRMCSSDVQQAMADVAVLLRYTLAGALHCPMVVADVTAKSGIVHASLYKSLKRLCGGRKECWKRLSMGELMLLQCVAELEILRAAAGSVAQLTLYRHFEVREFVASAAIPEALGHILSTACDHYIEAVRSMLPGVAFQVTRTDLMQLVFLVGFAIGSVRESASKLVLCVVRSFPTYAAYASALPLLWCMLDLLEAGTAGQIESLCEHVRFSTVPAVAADPHSVERQQHVLFVADVAERWAAILQDKAPIALFETAIKFMVIQQQECGEQATTQAGRHHAGSRLAVLASLYRVEETPPNLDDSAITVMRGAGAAGHVVKTEYAQTLLLHGRAQGAMQASSWYASAGQMQSTVVAQLWAATRLCRRALASAVAQRLESNLLRPARALFVETGYSVGTVLAPRASTVADEDAAAQEMGVTRVPLGAPARAETAASFAAAVALLVTGSGTPIGRRQLLQYLVQGAVQTFRSDVLYEAILCWKWLLSQNREAYLLPMLQELDTAFVWTAANRLGLFDGYCSSKNRQVQTGDVPIPHNTVSARGQRGARVPEEAAVYVADNVDSASPHKLLLSFLADMYVEEGSPLCLSPEVLRQLYLVAAHIMQFAAVLSLRDDMFGETMRCFLVVGSIAQLLREANVRQLRAGLLTLVPFPAIGALRQRWYKALLRWFTKTPPSWYYAKDPVLAREEAKVLSSLSQLIKEEADLLTRTTLGFLDFSSGVQRERDMPHVHHWESLSVVREAVAAVRQATDGGEAGLPKLIVREKLRLQGLLHLLRVLVEHEVLRLSVWRTPRRTLKIPNTTPSVGWGKLIECADHHNPEVVVAMVYRFSSIPAVRLAASQRVVAHPERYSNVAEAVDLYLT-------EDVLRAGAPRLFLFCSCTIIQALRLLDPRYAAYKTVNSYAIRSLLSQRSEKLIFYLPQLLQLLATDES------------GSIEAFLVRTSARSTMFAHQLLWSLQTESEGSG-------ALAKKCQQVERRIKAAFTPN------EEAFYRSEFAFVDLMTSLSGEIMKFDK--PERKAQLRLRLKDDVFHA--LPKLRHLYLPTDPNYRITDVIPHTAGAMQSAAKCPILVQFTCVPRTAEDALTPDDVDSAAADEHGHGAGNSHSDPVSRPVVKACIFKMGDDCRQDQISLQLIGLIQRILNSVGVPSFLYPYRVITTGQSSGIIECVPRSRSRNEIGKLVESNVAEFFVQTFGHPES--AGFRRARENFVRSTAAYSVVSFILNIKDRHNGNIMIDADGNLVHIDFGFLFDTSPGGDINFESSPFKLTTEMVQLIGMDVSGESTLQSKTLARALVDEENYIYFKTLVNRCYLAVRQYAREICVMVELMLRSGLPCFKPK--KTIADLAQRLAVDKNEIEAADYMRRLIHESRQNFTTVLYDYYQKVAEGIEM 2X6K Chain:A ((48-693)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VYRYPPTYVLSSEEQDLVWKFRFYLSSHKKALTKFLKCINWKLEDEVTQ-ALWMLANWAPMDVEDALELLSPTFT-HPQVRKYAVSRLAQAPDEDLLLYLLQLVQALKYEDPRHIVHLHGCIFPANLCTFLIQRACTNATLANYFYWYLSIEVEEVESVRKQDERAHDMYAMVLKMFLKVLENGNFNLRGIFYNLRKQRRFIDELVKLVKLVAKEPGNRNKKTEKFQKLLAEQDMFKVNFTNFEPIPFPLDPEIYITKIVPMRTSLFKSA-LMPAKLTFVTSI---------------------------------AHHEYAAIFKHGDDLRQDQLILQMITLMDKLLRRENLDLKLTPYKVLATSSKHGFLQYVDS-CTVAEVLARE-GNIHNFFRKHHPCDNGPYGISAEVMDTYIKSCAGYCVITYLLGVGDRHLDNLLLTTNGKLFHIDFGYILGRDPK----PMPPPMKLSKEMVEAMGGI-----------------SSEHHHEFRKQCYTAYLHLRRHANVMLNLFSLMVDATVPDIALEPDKAVKKVEENLQLGLTDEEAVQHLQSLLDVSITAVMPALVEQIHRFTQY---

General information: TITO was launched using: RESULT: Template: 2X6K.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 : 2340 -20545 -8.78 -41.26 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : -8.78 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.423

(partial model without unconserved sides chains): PDB file : Tito_2X6K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2X6K-query.scw PDB file : Tito_Scwrl_2X6K.pdb: