Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALIDLEDKIAEIVNREDHSDFLYELLGVYDVPR--ATITRLKKGNQNLTKRVG-EVHLK----NKVWFKEAKKGKLFDALIDIEQQVEYL-S----AKPRYLLVTDYDGVLAKDTKTLE-A-LDVKF-EELPQYFDFFLAWKGIEKVEFEKENPADIKAAERFARIYDVLRKENNIIETNRGLDLFLIRLLFCFFAEDTDIFKRNSFTNLIKTLTEEDGSNLNKLFADLFIVLDKN----------ER-DDVPSYLKEFPYVNGQLFTEPHTELEFSAKSRKLIIECGELLNWAKINPDIFGSMIQAVASE---ESRSYLGMHYTSVPNIMK---VIKPLFLDKLNQSFLDAYDDYTKLENLLTRIGKIKFFDPACGSGNFLIITYKELRRMEINIIKRLQELLGEYLYVPSVTLSQFYGIEIEDFAHDVAKLSLWIAEHQMNEELKNEVHNAVRPTLPLHTAGDIRCANAIRVEWTEVCPAQGSEEVYVFGNPPYLGSKKQNKEHKSDMLSIFGK-----VKNGKMLDYISAWFYFGAKYASTTNAKVAFVSTNSVTQG--EQVSILWNELF-KFGI--QINFAY-KSFKWANNAKNNAAVIVVIVGFGPLDTKVNKYLF----V-----DETKK---L-------------------VS-----NISPYLT--DGE---NILVS----SRTKPI-SDLPKLHFGNM--PNDGG-GLLFTITEYTDAINKYPELVPYFKKFIGSV-EFINGG------LRYCLWLNEAKYE-----KIKSNPLIQERISISKN----HREKS-TD--KGTNKLALTPWKFRDTHETTNYSIVVPSVSSENRFYIPMGLAGADTILSNLIYVIYDA----EIYLLGILMSRMHMTWVKAVAGRLKTDYRYSAGLCYNTFPIPELSTR---RKNEIEEAILEILDLREEQGGTLAELYNPSTMPIELKVAHEKLDGIVERAYRQKQFES-DEERLEVLLKLYQEMTER 3S1S Chain:A ((29-870)) ------------------CEAALNQALVNTGLDSTYEVVHHELV----GSIEADFVIKNKQTKKYLLIVEVKRTKSQVSSTRYRLQAQSYVREANIKVEQHYYCLTNLEIIDFFKHDPNKPVVSQQIIEPSPIVVGN-FSDT-V---------SEFYNRLVEAFQNIIDISVNDAGT---YKSSTANLVDILE-NRKDNS-----TSWHQALVV-------AGYEYIRGVLRGQNVEVPTRDAIYFKSRPGRLLEEGRKI-DF-NVLFSEPEPNTNDNDIWNVNLLSSL---ND-LGRRILTGDELAELIHDIATRGRGHEGVVPTDIELGKVLSIISQHILGR--------------------PLTEDEVISDPAAGSGNLLATVSAGFNNV---------------------MPRQIWANDIETLFLELLSIRLGLLFPQLV--------SS-------NNAPTITGEDVCSLNPE-----DFANVSVVVMNPPYVSGVTDPAIKRKFAHKIIQLTGNRPQTLFGQIGVEALFLELVTELVQD-GTVISAIMPKQYLTAQGNESKAFREFLVGNFGLEHIFLYPREGLFE-------EVIKDTVVFVGRKGSSVEEIEVLDSFTPLEQVDLHNLKRALSNSSNEQIIQPMGMELRKEKREELENRVTVGWRHITSNGRVAEEWITNNLESHCIRLVASDYDLRRGRVGNKGASDLLFINSKKKLWDLL-DESVPRDWLYPALRKVNEINTPIFNEDATPVRFLCPPNSAYQDGTGESIILDKILDVYVDFQVYKSKQKKFEKSKEELKEILYKESDFYSSE-------HTVFIPRALR---RSARAFINEQKVFCSTNALEVFGGNSEEMWLLLSWLSSVFAQLQFEAMAKDQEGERKLEKK-SIQNLYIPNLGDIDDVLKQDLIEEVREIHFFD------------------LCRPRVRKLDLLWAKVFWSGNEMSKTKEAAELLEDLVFERY--

General information: TITO was launched using: RESULT: Template: 3S1S.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 : 3839 -322275 -83.95 -445.75 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -83.95 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.332

(partial model without unconserved sides chains): PDB file : Tito_3S1S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3S1S-query.scw PDB file : Tito_Scwrl_3S1S.pdb: