Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQFVHLGIYTEFSITESIVRIPDLVKTAVKDEMPALALTDLSNLHAAVKFYNSCLKKGIKPIL---------GSTIRLNDAQHR---ATLLAMSDIGWKGLTEIVSRGFIEGQQLSIPCVQKEWVLEQHQDIIVLLGQHSDVGQM---LCSSNPQKAEPL--LEEWIEKFGNRVYLALTRTDRPGEEDFIQEAAK----LAAKYNIGVVAHNDVHFIEKEDFEAHEARVCIADGYVLADDRRPRLYSPEQYFKTSDEMIELFSDIPSAIENTYQIAKRCNVTLKLGTYFLPEYPIPDGFTIDTYFEHL--SKEGLKERLNYLYPVEKRGEDWPEIRKPYDERIDYEVGIILKMGFPGYFLIVMDFIQWAKNNGVPVGPGRGSGAGSLVAYSLKITDLDPL-----------------------------------------RYDLLFERFLNPERVSMPDFDVDFCIAGRDRVIDYVSRTYGREAVSQIATFGTMAAKGAIRDVARVLGKSYGLADRISKMVPTKPLGVDLATAIEMEPQLKDIVTNPSNPDNDDASEIWEMALKLEGITRNTGKHAGGVVIAPG--KITDFSAVLCDADGTN---RVAQYDKDDVEAAGLVKFDFLGLRNLTVIEDAIQNINKNSDSNDPLNISHVPLDDPKAYSVFA--------------DANTTAVFQFESVGMKRMLKEARPSKFEEIIAFVSL------YRPGPMDLIPD---FIHRMHGGEFEYLHPLLEGVLEPTYGIMVYQEQVMQTAQICAGYTLGGADLLRRAMGKKKPEEMVKQRQIFLEGAGQKGIDESTANHIFDYMEKFAGYGFNKSHAAAYALVAYHTAWLKAHYPAEFMAAVMSSEMQNTD---------SVVFLIDDCRNNGLE----------VLPPSV----------NMSTYHFHAS----DDKTIVYGLGAIKGVGEQAMQSVIDSRRQQGPYTDLFDFCHRIDLKKINKRTLEALIRAGALDCLGIERSSLMAQLPEAVQAAEQARSNRESGIMDLFGEVEEVQRKPAKPVKPWSDEVRLKGEKDTLGLYLTGHPIDVYRQELKAFIPAKLNEITATRRGVTTVYAGLVLDVANFPNRVVIVLDDGTARIEVSCNHERFQRFKDIIQVERVVVFEGEIYEREGFDRPMGRLNKAFSLNEIRQKRANSIQIKLTHDLLQPSLAKDLQNILLPYCNVDMHQHIAIQLQIDQPYAQAELQLGPQWKVSPLDELLAKLRDYFGKDNIHIEYQVKSKAAKAAEPVRPQPVASPPVDMTIDDALDSYQSEVSQYS 3F2B Chain:A ((117-1021)) ---VELHLHTPMSQMDAVTSVTKLIEQAKKWGHPAIAVTDHAVVQSFPEAYSAAKKHGMKVIYGLEANIVDD------------PFHVTLLAQNETGLKNLFKLVSLSHIQYFH-RVPRIPRS-VLVKHRDGL-LVGSGCDKGELFDN--------VEDIARFYDFLEVHPPDVYKPL----YVKDEEMIKNIIRSIVALGEKLDIPVVATGNVHYLNPED-KIYRKILIHSQGGANPLNRHEL---PDVYFRTTNEMLDCFSFL--GPEKAKEIV--VDNTQKIASLIGDVKPIKD----ELYTPRIEGADEEIRE-MSYRRAKEIYGDPLPKL---VEERLEKELKSIIGHGFAVIYLISHKLVKKSLDDGYLVG-SRGSVGSSFVATMTEITEVNPLPPHYVCPNCKHSEFFNDGSVGSGFDLPDKNCPRCGTKYKKDGHDIPFETFLGFKGDKVPDIDLNFSGEYQPRAHNYTKVLFGEDNVYRAGTIGTVADKTA-----------YGFVK---------------AYASDHNLELR-------------GAEIDRLAAGCTGVKRTTGQHPGGIIVVPDYMEIYDFTPIQYPADDTSSEWRTTHFDFHSIH-DNLLKLDILGHDDPTVIR-MLQDLS----GIDPKTI---PTDDPDVMGIFSSTEPLGVTPEQIMCNVGTIGIPEFGTRFVRQMLEETRPKTFSELVQISGLSHGTDVWLGNAQELIQNGTCTLSEVIGCRDDIMVYLIYRGLEPSLAF-----KIMESVRKGKGLT---------------PEFEAEMRK------------HDVPEWYIDSCKKIK-YMFPKAHAAAYVLMAVRIAYFKVHHPLLYYASYFTVRAEDFDLDAMIKGSAAIRKRIEEINAKGIQATAKEKSLLTVLEVALEMCERGFSFKNIDLYRSQATEFVIDGNSLIPPFNAIPGLGTNVAQAIVRA-REEGEFLSKEDLQQR---GKLSKTLLEYLESRGCLDSL-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

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 : 4229 3064 0.72 4.08 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 0.72 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.347

(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: