Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQFVHLGIYTEFSITESIVRIPDLVKTAVKDEMPALALTDLSNLHAAVKFYNSCLKKGIKPILGSTIRLND-AQHRATLLAMSDIGWKGLTEIVSRGFIEGQQLSIPCVQKEWVLEQHQDIIVLLG-QHSDVGQMLCSSNPQKAEPLLEEWIEKFGNRVYLALTRTDRP---------GEEDFIQEAAKLAAKYNIGVVAHNDVHFIEKEDFEAHEARVCIADGYVLADDRRPRLYSPEQYFKTSDEMIELFSDI------PSAIENTYQIAKRCNVTLKLGTYFLP-EYPIPDGFTIDTYFEHLSKEGLKERLNYLYPVEKRGEDWPEIRKPYDERIDYEVGIILKMGFPGYFLIVMDFIQWAKNNGVPVGPGRGSGAGSLVAYSLKITDLDPLR-----------------------------------------YDLLFERFLNPERVSMPDFDVDFCIAGRDRVIDYVSRTYGREAVSQIATFGTMAAKGAIRDVARVLGKSYGLADRISKMVPTKPLGVDLATAIEMEPQLKDIVTNPSNPDNDDASEIWEMALKLEGITRNTGKHAGGVVIAPG--KITDFSAVLCDADG---TNRVAQYDKDDVEAAGLVKFDFLGLRNLTVIEDAIQNINKNSDSNDPLNISHVPLDDPKAYSVFADA--------------NTTAVFQFESVGMKRMLKEARPSKFEEIIAFVSLYRPGPMD--LIPDFIHRMHGGEFEYLHPLLEGVLEPTYGIMVYQEQVMQTAQICAGYTLGGADLLRRAMGKKKPEEMVKQRQIFLEGAGQKGIDESTANHIFDYMEKFAGYGFNKSHAAAYALVAYHTAWLKAHYPAEFMAAVMSSEMQNT---------DSVVFLI------------------------DDCRNNGLEVLPPSVNMST-YHFHASDDKTIVYGLGAIKGVGEQAMQSVIDSRRQQGPYTDLFDFCHRIDLKKINKRTLEALIRAGALDCLGIERSSLMAQLPEAVQAAEQARSNRESGIMDLFGEVEEVQRKPAKPVKPWSDEVRLKGEKDTLGLYLTGHPIDVYRQELKAFIPAKLNEITATRRGVTTVYAGLVLDVANFPNRVVIVLDDGTARIEVSCNHERFQRFKDIIQVERVVVFEGEIYEREGFDRPMGRLNKAFSLNEIRQKRANSIQIKLTHDLLQPSLAKDLQNILLPYCNVDMHQHIAIQLQIDQPYAQAELQLGPQWKVSPLDELLAKLRDYFGKDNIHIEYQVKSKAAKAAEPVRPQPVASPPVDMTIDDALDSYQSEVSQYS 3F2B Chain:A ((115-1030)) -KRVELHLHTPMSQMDAVTSVTKLIEQAKKWGHPAIAVTDHAVVQSFPEAYSAAKKHGMKVIYGLEANIVDD-PFHVTLLAQNETGLKNLFKLVSLSHIQYFH-RVPRIPRSVLVKHRDGLLVGSGCDKGELFDN--------VED----IARFY---DFLEVHPPDVYKPLYVKDEEMIKNIIRSIVALGEKLDIPVVATGNVHYLNPEDKIYRKILIHSQGGANPL--N--RHELPDVYFRTTNEMLDCFSFLGPEKAKEIVVDNTQKIASLIGD-VK---PIKDELYT-PRIEGADEEIREMSYRRAKEIYGD------------PLPKLVEERLEKELKSIIGHGFAVIYLISHKLVKKSLDDGYLVG-SRGSVGSSFVATMTEITEVNPLPPHYVCPNCKHSEFFNDGSVGSGFDLPDKNCPRCGTKYKKDGHDIPFETFLGFKGDKVPDIDLNFSGEYQPRAHNYTKVLFGEDNVYRAGTIGTVADKTAYGFVKAYA-----------SDHN------------------L-EL------R---GAEIDRLAAGCTGVKRTTGQHPGGIIVVPDYMEIYDFTPIQYPADDTSSEWRTTHFDFHSIHD-NLLKLDILGHDDPTVIRMLQDLSG--------IDPKTIPTDDPDVMGIFSSTEPLGVTPEQIMCNVGTIGIPEFGTRFVRQMLEETRPKTFSELVQISGLSHGTDVWLGNAQELIQNG--------TCTLSEVIGCRDDIMVYL--------IYRGLEPSLAFKIMESVRKGKG-----LTPEFEAEMRKHDVPEWYIDSC-----KKIKYMFPKAHAAAYVLMAVRIAYFKVHHPLLYYASYFTVRAEDFDLDAMIKGSAAIRKRIEEINAKGIQATAKEKSLLTVLEVALEMCERGFSFKNIDLYRSQATEFVIDG-NSLIPPFNAIPGLGTNVAQAIVRARE-EGEFLSKEDLQQRG---KLSKTLLEYLESRGCLDSLPDHNQLSLF--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3F2B.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 : 4301 24186 5.62 31.33 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 5.62 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.438

(partial model without unconserved sides chains): PDB file : Tito_3F2B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3F2B-query.scw PDB file : Tito_Scwrl_3F2B.pdb: