Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPAYKAPLHDIRFLMNEVLDYPAHYKTLSNGESADPDTVDMILEGAADYCENVLSPLNQSGDEEGCHFDNGEVKTPKGFKEAYDQFVMGGWQGLSYPEEFGGQGLPMSLNLIKSEMMGTANWSFTMYPGLSSGCMNTIL-QFGTDEQKQTYMPKLVEGTWSGTMCLTEPQCGTDLGQVKTKAEPQADGTYKISGTKIFISAGEHDLTENIIHIVLARLPDAPAGTRGISLFIVPKFIPTAEGGVGERNTVSCGSIEHKMGIRASATAVLNFDNAT---GYLIGEVNKGLHAMFTFMNTARIGTAVQGIAHAELSFQGALPYAKERMSMRALSGKK--DPDKVADAIIHHADVRRMLLTQKAIAEGGRSMIYYAAQLADKMTDALTRGDQAAFEDYDDKLGFYTPILKGFLTELGLEAANHGMQVYGGHGYIKEWGMEQIVRDARISTLYEGTTGVQALDLIGRKVLLSSKGKVVREYTAEILKFCAAHARNKYLRRFAWDLTKLCAQWNTLTVRIMLAARKDRDIVSSASVDFLMFSGYVMMAYFWAQQAVVASEKLEAGNGQETPEFYKAKIKVADFYFDRLLPRAQGHAESMVTTSRTLTSLPAEHFSFDY 2JIF Chain:A ((35-400)) ----------------------------------------MIKSSVKKFAQEQIAPLVSTMDE-----------NSKMEKSVIQGLFQQGLMGIEVDPEYGGTGASFLSTVLVIEELAKVDASVAVFCEIQNTLINTLIRKHGTEEQKATYLPQLTT-EKVGSFCLSEAGAGSDSFALKTRADKEGD-YYVLNGSKMWISSAEH----AGLFLVMANV-DPTIGYKGITSFLVDRDTPG----------LHIGKPENKLGLRASSTCPLTFENVKVPEANILGQIGHGYKYAIGSLNEGRIGIAAQMLGLAQGCFDYTIPYIKERIQF----GKRLFDFQGLQHQVAHVA-------TQ---LEAARLLTYNAARLLEAGKPFIKEASMAKY----------------YASEIAGQTTSKCIEWMGGVGYTKDYPVEKYFRDAKIGTIYEGASNIQ-LNTIAKHI----------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2JIF.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 : 2095 -80364 -38.36 -223.23 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -38.36 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.479

(partial model without unconserved sides chains): PDB file : Tito_2JIF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2JIF-query.scw PDB file : Tito_Scwrl_2JIF.pdb: