Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQFVHLGIYTEFSITESIVRIPDLVK--TAVKDEMPALALTDLSNLHAAVKFYNSCLKKGIKPILGSTIR---------LNDAQHRATLLAMSDIGWKGLTEIVSRGFIEGQQLSIPCVQKEWVLEQHQDIIVLLG-QHSDVGQMLCSSNPQKAEPLLEEWIEKFGNRVYLALTRTDRPGEEDFIQEAAKLAAKYNIGVVAHNDVHFIEKEDFEAHEARVCIADGYVLADDRRPRLYSPEQYFKTSDEMIELFSDIP---SAIENTYQIAKRCNVTLKLG---TYFLPEYPIPDGFTIDTYFEHLSKEGL-------------KERLNYLYPVEKRGED--------------WPEIRKPYD---------ERIDYEVGIILKMGFPGYFLIVMDFIQWAKNNGVPVGPGRGSGAGSLVAYSLKITDLDPLRYDLLFERFLNPERVSMPDFDVDFCIAGRDRVIDYVSRTYGREAVSQIATFGTMAAKGAIRDVARVLGKSYGLADRISKMVPT---KPLGVDLATAIEMEPQLKDIVTNPSNPDNDDASEIWEMALKLEGITRNTGKHAGGVVIAPGKITDFSAVLCDADGTNRVAQYDKDDVEAAGLVKFDFLGLRNLTVIEDAIQNINKNSDSNDPLNISHVPLDDPKAYSVFADANTTAVFQFESVGMKRMLKEARPSKFEEIIAFVSLYRPGPMDLIPDFIHRMHG------GEFEYLHPLLEGVLEPTYGIMVYQEQVMQTAQICAGYTLGGADLLRRAMGKKKPEEMVKQRQIFLEGAGQKGIDESTANHIFDYMEKFAGYGFNKSHAAAYALVAYHTAWLKAHYPAEFMAAVMSSEMQNTDSVVFLIDDCRNNGLEVLPPSVNMSTYHFHASDDKTIVYGLGAIKGVGEQAMQSVIDSRRQQGPYTDLFDFCHRIDLKKINKRTLEALIRAGALDCLGIERSSLMAQLPEAVQAAEQARSNRESGIMDLFGEVEEVQRKPAKPVKPWSDEVRLKGEKDTLGLYLTGHPIDVY--RQELKAFIPAKLNEITATRRGVTTV-YAGLVLDVANFPNR--VVIVLDDGTARIEVSCNHERFQRFKDIIQVERVVVFEGEIYEREGFDRPMGRLNKAFSLNEIRQKRANSIQIKLTHDLLQPSLAKDLQNILLPYCNVDMHQHIAIQLQIDQPYAQAELQLGPQWKVSPLDELLAKLRDYFGKDNIHIEYQVKSKAAKAAEPVRPQPVASPPVDMTIDDALDSYQSEVSQYS 4IQJ Chain:D ((5-1084)) LKFAHLHQHTQFSLLDGAAKLQDLLKWVKETTPEDPALAMTDHGNLFGAVEFYKKATAMGVKPIIGYEAYVAAESRFDR---GYFHLTLLAKDFTGYQNLVRLASRAYLEGF-YEKPRIDREILREHAQGLIALSGCLGAEIPQFILQDRLDLAEARLNEDLSIFGDRFFIEIQNHGLPEQKKVNQVLKEFARKYGLGMVATNDGHYVRKEDARAHEVLLAIQSKTTLDDPERWRFPCDEFYVKTPEEMRAMLPEAEWGDEPFDNTVEIARMCDVDLPIGDKMVYRIPRFPLPEGRTEAQYLRELTFLGLLRRYPDRITEAFYREVLRLL-------DERALAEALARVEEKAWEELRK---REWTAEAILHRALYELSVIERMGFPGYFLIVQDYINWARGHGVSVGPGRGSAAGSLVAYAVGITNIDPLRFGLLFERFLNPERVSMPDIDTDFSDRERDRVIQYVRERYGEDKVAQIGTFGSLASKAALKDVARVYGIPHKKAEELAKLIPVQFGKP--KPLQEAIQVVPELRAEMEK-----DERIRQVIEVAMRLEGLNRHASVHAAGVVIAAEPLTDLVPLMRDQEGRP-VTQYDMGAVEALGLLKMDFLGLRTLTFLDEA-RRIVKESKGVE-LDYDRLPLDDPKTFELLSRGETKGVFQLESGGMTATVRGLKPRRLEDIIALVSLYRPGPMEHIPTYIRRHHGQEPVSYAEFPHAEKYLRPILDETYGIPVYQEQIMQIASQVAGYSLGEADLLRRAMGKKRVEEMQKHRERFVRGAKERGVPEEEANRLFDMLEAFANYGFNKSHAAAYSLLSYQTAYVKAHYPVEFMAALLSVERHDSDKVAEYIRDARALGIPVLPPDVNRSGFDFKVVGEE-ILFGLSAVKNVGEMAARAILEERERGGPFKSLGDFLKRLPEQVVNKRALESLVKAGALDAFG-DRARLLASLEPLLRWAAETRERGRSGLVGLFAEVEE---PPLVEASPLDEITMLRYEKEALGIYVSGHPVLRYPGLREVASCTIEELSEFVRELPGKPKVLLSGMVEEVVRKPTRMMARFTLSDETGALEV---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4IQJ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 5155 113832 22.08 116.04 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain D : 0.77 3D Compatibility (PKB) : 22.08 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.434

(partial model without unconserved sides chains): PDB file : Tito_4IQJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IQJ-query.scw PDB file : Tito_Scwrl_4IQJ.pdb: