Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNDIRFPGWIKSSPTLVMASVLAQLLTDECAEATSSATAGAPRPPSEACVPDGRERWPRHNFGEDISSSCSDGGGGVDLSDSDASECEGCYDPDRDAMHSGGGVDTGYLRMVDRLLELNSKELDSLPPAAATAAATTYLPPKAVTAPATAMQTAIAGSWPRGSGVLFTRQNGGVSMSNLGASPDILRNPRVRTLLRLSRLNDVLTRAEAAQPLISRRTAAAMVSFFAFAVSCRYSGLPVDRTKGFFTECSALYTTLLSKLRSLRFGGGVSLEDFTAALVACGLKLRCDEDVEGDEKDGHGGTNEAGVTGAGTAGIPCSGRSNSSSAVASGAAPMGSCGGAGVRTPTQPSFGRDKNYGLVGFGHRALDAIFVRCIPSNIDECVHDPVALGVLRGISLTHSQQLFYLGPELVNHLHDLTDAFATSSHRRELSYKRVLSVLLEAISCSRVIDYERTNNWITAVIQERYVVRGLFQREELHAHVVTATLTMLIRQYQEMAKECASKVVDLGSMPDFTEGDQLIELVWKALQDTIGSWEDAVTTAEKHPLTLFRHNIDMVVQHLLRTEVERLRCYYIITSATAAYHQSLVGMSAGTRTTRNQSGCPPAVPQLAPGREEQRGASQRGRDTLRGQDGNTRRDSDAPAAAPYVPSAEEESLRILICSNIIKLLLLPTSIMNALPRTEEAKQLRASLTEAAARVLSVVTAKEFKSRDDTSVMKAASGRATTSAAPRSISPISAAAAMPRIRRTDAAAAGTDLFVISQRRAHFSNNFYRCIEELIHELIHTILQQSVPDDATAVANRSFLGGVPDVHPPTPPTSDASSDAILRGMVAAVCIQYMCSTNQHLRSFAISEVMDAVVRLSARCGAEEAATATHGSLGRKGSSHTARASGNNSNGSPAAAPQGTVVGAAAADPEEERKHATHLRARQLALCFDALSAILVPTVVVEGYHHVAEEQEERAGLARSCTTTSARGDSKREELSRYGQLLCDTYVDSLREHLWSLGEGSVSRHKLLTPVMTVAVKAFVNLVLRVHERLRGMSSMALALVQEAEAAREGPGKGTRRSAGVIARDRARLLHAFNAERMSVVLLLRGVIQNMLSVAWPSSGVLYQDPACGWERPLNKTTSAVMAPLALAVLSPFFRPLTMLLHLSTLFPVRSLKQLCTHYQYARYLTLEDPSTSDQYMFYYYRRLSRALVAAEADDSGGSGAGPAEQVELECWALFRSCWMMFSYYKYTAEALMAVRAGGMAPMESANPAAAAAALARAPILSTKQCKLLRLIAASAAPLLRMCSSDVQQAMADVAVLLRYTLAGALHCPMVVADVTAKSGIVHASLYKSLKRLCGGRKECWKRLSMGELMLLQCVAELEILRAAAGSVAQLTLYRHFEVREFVASAAIPEALGHILSTACDHYIEAVRSMLPGVAFQVTRTDLMQLVFLVGFAIGSVRESASKLVLCVVRSFPTYAAYASALPLLWCMLDLLEAGTAGQIESLCEHVRFSTVPAVAADPHSVERQQHVLFVADVAERWAAILQDKAPIALFETAIKFMVIQQQECGEQATTQAGRHHAGSRLAVLASLYRVEETPPNLDDSAITVMRGAGAAGHVVKTEYAQTLLLHGRAQGAMQASSWYASAGQMQSTVVAQLWAATRLCRRALASAVAQRLESNLLRPARALFVETGYSVGTVLAPRASTVADEDAAAQEMGVTRVPLGAPARAETAASFAAAVALLVTGSGTPIGRRQLLQYLVQGAVQTFRSDVLYEAILCWKWLLSQNREAYLLPMLQELDTAFVWTAANRLGLFDGYCSSKNRQVQTGDVPIPHNTVSARGQRGARVPEEAAVYVADNVDSASPHKLLLSFLADMYVEEGSPLCLSPEVLRQLYLVAAHIMQFAAVLSLRDDMFGETMRCFLVVGSIAQLLREANVRQLRAGLLTLVPFPAIGALRQRWYKALLRWFTKTPPSWYYAKDPVLAREEAKVLSSLSQLIKEEADLLTRTTLGFLDFSSGVQRERDMPHVHHWESLSVVREAVAAVRQATDGGEAGLPKLIVREKLRLQGLLHLLRVLVEHEVLRLSVWRTPRRTLKIPNTTPSVGWGKLIECADHHNPEVVVAMVYRFSSIPAVRLAASQRVVAHPERYSNVAEAVDLYLTEDVLRAGAPRLFLFCSCTIIQALRLLDPRYAAYKTVNSYAIRSLLSQRSEKLIFYLPQLLQLLATD--ESGSIEAFLVRTSARSTMFAHQLLWSLQTESEGSGALAKKCQQV-ERRIKAA-------FTPNEEAFYRSEFAFVDLMTSLSGEIMKFD-KPERKAQLRLRLKDDVFHALPKLRHLYLPTDPNYRITDVIPHTAGAMQSAAKCPILVQFTCVPRTAEDALTPDDVDSAAADEHGHGAGNSHSDPVSRPVVKACIFKMGDDCRQDQISLQLIGLIQRILNSVGVPSFLYPYRVITTGQSSGIIECVPRSRSRNEIGKLVESNVAEFFVQTFGH------PESAGFRRARENFVRSTAAYSVVSFILNIKDRHNGNIMIDADGNLVHIDFGFLFDTSPGGDINFESSPFKLTTEMVQLIGMDVSGESTLQSKTLARALVDEENYIYFKTLVNRCYLAVRQYAREICVMVELMLRSGLPCFKPKKTIADLAQRLAVDKNEIEAADYMRRLIHESRQNFTTVLYDYYQKVAEGIEM 3QK0 Chain:A ((485-950)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TMQLLDCNFSD-ENVRAIAVQKLESLEDDDVLHYLLQLVQAVKFEPYHDSALARFLLKRGLRNKRIGHFLFWFLRSEIAQSRHYQQRFAVILEAYLRGCGTAMLHDFTQQVQVIEMLQKVTLDI-KSLS------DVSSQVISQLKQKLENLQNSQLPE--SFRVPYDPGLKAGALAIEKCKVMASKKK-PLWLEFKCADPTA----------------------------LSNETI-GIIFKHGDDLRQDMLILQILRIMESIWETESLDLCLLPYGCISTGDKIGMIEIVKDATTIAKIQQSTVGNTGAFKDEVLNHWLKEKSPTEEKFQAAVERFVYSCAGYCVATFVLGIGDRHNDNIMITETGNLFHIDFGHI-----------ERVPFVLTPDFLFVMG--TSGKKT------------SPHFQKFQDICVKAYLALRHHTNLLIILFSMMLMTGMPQLTSKEDIEYIRDALTVGKNEEDAKKYFLDQIEVCRDKGWTVQFNWFLHLVL----

General information: TITO was launched using: RESULT: Template: 3QK0.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 : 2052 -23170 -11.29 -53.51 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.53 3D Compatibility (PKB) : -11.29 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.433

(partial model without unconserved sides chains): PDB file : Tito_3QK0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3QK0-query.scw PDB file : Tito_Scwrl_3QK0.pdb: