Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGAEFLVGRSGSGKTKLIINSIQDELRRAPFGKPIIFLVPDQMTFLMEYELAKTPDMGGMIRAQVFSFSRLAWRVLQH--TGGMSRPFLTSTGVQMLLRKLIEEH------KQEFKVYQKASDKSGFTAQVERMLTEFKRYCLEPEDIRRMAESGTASEYRGERVLSEKLHDLSILYQQMEKSLADQYLHSEDYLTLLAEHIPLAEDIK------GAHIYVDGFYQFTPQEFRVLEQLMVHAEHITFSLT------------ADKPSYEREPHEL------------------------------ELFRMTGKTYYRLHQKAKELNLDITYKELSGTERHTKTPELAHLEAQYEARPAIPYAEKQEA--------------LTVMQAANRRAELEGIAREIHALVRE-KGYRYKDVAILARQPEDYKDMVKEVFAD----YEIPYFIDGKASMLNHPLIEFIRSSLDVLKGNWRYEAVFRCVKTELLFPLNEPKAKVREQVDQLENYCIAYGIK---GDRWTKGDRFQYRRFVSLDDDFAQTDQEIEMENMLNDTRDWIVPPLFQLQKRMKKAKTVQEKAEALYRYLEETDVPLKLDQERQRAEDDGRII------EAQQHQQAWDAVIQLLEEFVEMMGDDEISLDLFQQMIEAGAESLTFSLIPPALDQVFVGNMDLSRMYGTSCTFVLGANDGVLPARPDENGVLSDDDREWLKTIGVELSSGGRERLLDEHFLIYMAFSSPSDRLYVSYPIADAE-GKTLLPSMIVKRLEELFPHHKERLLTNEPEQVSDEEQLMYVVNKSVAQSFTASQLRLWTREYDISDVWWSTYNVLMSEQDRLQSKKLFSSLFFRNEVKQLERSVSRQLYGERIQGSVSRMETFNACPFSHFASHGLHLKERQFF-KLEAPDIGQLFHSSLKLISDRLREQKLDWRDLTKEQCELFSYDAVERLAPKLQKEILLSSNRHYYVKEKLQKIVTRVSGILSEHAKASGFVPIGLELGFGGKGPLPPLTFQLKNGCTMELVGRIDRVDKAESSKGLLLRIVDYKSSDKGLDLAEVYYGLALQMLTYLDLSITHSADWLGMRATPAGVLYFHIHDPMIQSNLPLGLDEIEQEIFKKFKMKGLLLGDQEVVRLMDTTLQEGRSNIINAGLKKDGSLRSDSAAVGEKEFDLLTKHVRRTFQEAGEQITDGRVSIEPYKMKNKTPCTYCAFKSVCQFDESLEENEYRPLKAEKDKTILEWIKKEADGNEHS 1W36 Chain:C ((1-1121)) -MLRVYHSNRLDVLEALMEFIVERERLDDPFEPEMILVQSTGMAQWLQMTLSQKFGIAANIDFP--LPASFIWDMFVRVLPEIPKESAFNKQSMSWKLMTLLPQLLEREDFTLLRHYLTDDSDKRKLFQLSSKAADLFDQYLVYRPDWLAQWETGHLVEG-----LGEAQAWQAPLWKALVEYTHQLGQPRWHRANLYQRFIETLESATTCPPGLPSRVFICGISALPPVYLQALQALGKHIEIHLLFTNPCRYYWGDIKDPAYLAKLLTRQRRHSFEDRELPLFRDSENAGQLFNSDGEQDVGNPLLASWGKLGRDYIYLLSDLESSQELDAFVDVTPDNLLHNIQSDILELENRAVAGVNIEEFSRSDNKRPLDPLDSSITFHVCHSPQREVEVLHDRLLAMLEEDPTLTPRDIIVMVADIDSYSPFIQAVFGSAPADRYLPYAISDRRARQSHPVLEAFISLLSLPDSRFVSEDVLALLDVPVLAARFDIT---EEGLRYLRQWVNESGIRWGIDDDNVRELELPATGQHTWRFGLTRMLLGYAMESA-QGEWQSVLPYDESSGLIAELVGHLASLLMQLNIWRRGLAQERPLEEWLPVCRDMLNAFFLPDAETEAAMTLIEQQWQAIIAEGLGAQYGDAVPLSLLRDELAQRLDQERISQ-RFLAGPVNICTLMPMRSIPFKVVCLLGMNDGVYPRQLAPLG---------FDLMSQKPKRGDRSRRDDDRYLFLEALISAQQKLYISYIGRSIQDNSERFPSVLVQELIDYIGQSHYLPGDEALNCDESEARVKAHLTCL--HTRMPFDPQNYQPGERQS-----------------YAREWLPAASQAGKAHSEFVQPLPFTLPETVP--LETLQRFWAHPVRAFFQMRLQVNFRTEDSEIPDTEPFILEGLSRYQINQQLLNALVE------------QDDAERLFRRFRAAGDLPYGAFGEIFWETQCQEMQQLADRVIACRQPGQSMEIDLACN------------------GVQITGWLPQV----QPDGLLRWRPSLLS----------VAQGMQLWLEHLVYCASGGNGESRLFLRKDGEWRFP----------PLAAEQALHYLSQLIEGYRE--GMSAPLLV----LPESGGAWLKTCYDAQNDAMLDDDSTLQKARTKFLQAYEGNMMVRGEG-------------------DDIWYQRLWRQLTPETMEAIVEQSQRFLLPLFRFNQ---------

General information: TITO was launched using: RESULT: Template: 1W36.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 4934 -443003 -89.79 -428.02 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain C : 0.62 3D Compatibility (PKB) : -89.79 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.310

(partial model without unconserved sides chains): PDB file : Tito_1W36.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1W36-query.scw PDB file : Tito_Scwrl_1W36.pdb: