Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------------------------------------------------------------------------------MQFVHLGIYTEFSITESIVRIPDLVKTAVKDEMPALALTDLSNLHAAVKFYNSCLKKGIKPILGSTIRLNDAQHRATLLAMSDIGWKGLTEIVSRGFIEGQQLSIPCVQKEWVLEQHQDIIVLLGQHSDVGQMLCSSNPQKAEPLLEE--WIEKFGNRVYLALTRTDRPGEEDFIQEAAKLAAKYNIGVVAHNDVHFIEKEDFEAHEARVCIADGYVLADDRRPRLYSPEQYFKTSDEMIELFSDIPSAIENTYQIAKRCNVTLKLGTYFL--PEYPIPDGFTIDTYFEHLSKEGLKERLNYLYPVEKRGEDWPEIRKPYDERIDYEVGIILKMGFPGYFLIVMDFIQWAKNNGVPVGPGRGSGAGSLVAYSLKITDLDPLRYDLLFERFLNPERVSMPDFDVDFCIAGRDRVIDYVSRTYGREAVSQIATFGTMAAK-------------GAIRDVARVLGKSYGLADRISKMVPTKPLGVDLATAIEMEPQLKDIVTNPSNPDNDDASEIWEMALKLEGITRNTGKHAGGVVIAPG--KITDFSAVLC---DADGTNRVAQYDKDDVEAAGLVKFDFLGLRNLTVIEDAIQNINKNSDSNDPLNISHVPLDDPKAYSVFADANT--------------TAVFQFESVGMKRMLKEARPSKFEEIIAFVSLYRPGPMDLIPDFIHRMHGGEFEYLHPLLEGVLEPTYGIMVYQEQVMQTAQICAGYTLGGADLLRRAMGKKKPEEMVKQR--QIFLEGAGQKGIDESTANHIFDYMEKFAGYGFNKSHAAAYALVAYHTAWLKAHYPAEFMAAVMSSEMQNTDSVVFLIDDCRNNGLEVLPPSVNMSTYHFHASDDKTIVYGLGAIKGVGEQAMQSVIDSRRQQGPYTDLFDFCHRIDLKKINKRTLEALIRAGALDCLGIERSSLMAQLPEAVQAAEQARSNRESGIMDLFGEVEEVQRKPAKPVKPWSDEVRLKGEKDTLGLYLTGHPIDVYRQELKAFIPAKLNEITATRRGVTTVYAGLVLDVANFPNRVVIVLDDGTARIEVSCNHERFQRFKDIIQVERVVVFEGEIYEREGFDRPMGRLNKAFSLNEIRQKRANSIQIKLTHDLLQPSLAKDLQNILLPYCNVDMHQHIAIQLQIDQPYAQAELQLGPQWKVSPLDELLAKLRDYFGKDNIHIEYQVKSKAAKAAEPVRPQPVASPPVDMTIDDALDSYQSEVSQYS 3F2B Chain:A ((7-1030)) VRRLETIVEEERRVVVQGYVFDAEVSELKSGRTLLTMKITDYTNSILVKMFSRDKEDAELMSGVKKGMWVKVRGSVQNDTFVRDLVIIANDLNEIAANERQDTAPEGEKRVELHLHTPMSQMDAVTSVTKLIEQAKKWGHPAIAVTDHAVVQSFPEAYSAAKKHGMKVIYGLEANIVDDPFHVTLLAQNETGLKNLFKLVSLSHIQYFH-RVPRIPRSVLVKHRDGLLVGSGCDK-------GELFDNVEDIARFYDFLEVHPPDVYKPLYVKDEEMIKNIIRSIVALGEKLDIPVVATGNVHYLNPEDKIYRKILIHSQG----GANPLNRHELPDVYFRTTNEMLDCFSFLGPEKAKEIVVDNTQKIASLIGDVKPIKDELYTPRIEGADEEIREMSYRRAKEIYG------------DPLPKLVEERLEKELKSIIGHGFAVIYLISHKLVKKSLDDGYLVGS-RGSVGSSFVATMTEITEVNPLPPHYVCPNCKHSEFF--NDGSVGSGFDLPDKNCPRCGTKYKKD--GHDIPFETFLGFKGDKVPDIDLNFSGEYQPRAHNYTKVLFGEDNVYRAGTIGT--VADKTAYGFVKAYASD-----HNLELRGAEIDRLAAGCTGVKRTTGQHPGGIIVVPDYMEIYDFTPIQYPADDTSSEWRTTHFDFHSIHD-NLLKLDILGHDDPTVIRMLQDLSG--------IDPKTIPTDDPDVMGIFSSTEPLGVTPEQIMCNVGTIGIPEFGTRFVRQMLEETRPKTFSELVQISGLSHG------TDVWLGNAQELIQNGTCTLSEVIGCRDDIMVYLIY--RGLEPSLAFKIMESVRKGKGLTPEFEAEMRKHDVPEWYIDSCKK------------------IKYMFPKAHAAAYVLMAVRIAYFKVHHPLLYYASYFTVRAEDFDLDAMIK----------------------------------------GSAAIRKRIEEINAKG-----------------------------------------------------IQATAKEKSLLTVLEVALEMCER---------------------GFSFK--NIDLYRSQATEFVIDG--------------------------NSLIPPFNA---------------------------------------------------IPGLGTNVAQAIVRAREE------------------------------------------------------------GEFLSKEDLQQRGKLSKTLLEYLESRGCLDSLPDHNQLSLF--------------

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 : 4796 124271 25.91 146.37 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 25.91 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.327

(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: