Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPAYKAPLHDIRFLMNEVLDYPAHYKTLSNGESADPDTVDMILEGAADYCENVLSPLNQSGDEEGCHFDNGEVKTPKGFKEAYDQFVMGGWQGLSYPEEFGGQGLPMSLNLIKSEMM--GTANWSFTMYPGLSSGCMNTILQFGTDEQKQTYMPKLVEGTWSGTMCLTEPQCGTDLGQVKTKAEPQADGTYKISGTKIFISAGEHDLTENIIHIVLARLPDAPAGTRGISLFIVPKFIPTAEGGVGERNTVSCGSIEHKMGIRASATAVLNFDNA---TGYLIGEVNKGLHAMFTFMNTARIGTAVQGIAHAELSFQGALPYAKERMSMRALSGKKDPDKVADAIIHHADVRRMLLTQKAIA-EGGRSMIYYAAQLADKMTDALTRGDQAAFEDYDDKLGFYTPILKGFLTELGLEAANHGMQVYGGHGYIKEWGMEQIVRDARISTLYEGTTGVQALDLIGRKVLLSSKGKVVREYTAEILKFCAAHARNKYLRRFAWDLTKLCAQWNTLTVRIMLAARKDRDIVSSASVDFLMFSGYVMMAYFWAQQAVVASEKLEAGNGQETPEFYKAKIKVADFYFDRLLPRAQGHAESMVTTSRTLTSLPAEHFSFDY 2VIG Chain:A ((7-376)) -----------------------------------PETHQMLLQTCRDFAEKELFPIAAQVDKEHL-FPAAQVKKMGGL----------GLLAMDVPEELGGAGLDYLAYAIAMEEISRGCASTGVIMSVN-NSLYLGPILKFGSKEQKQAWVTPFTSGDKIGCFALSEPGNGSDAGAASTTARAEGD-SWVLNGTKAWIT----NAWEASAAVVFAS-TDRALQNKSISAFLVPMPTPG----------LTLGKKEDKLGIRGSSTANLIFEDCRIPKDSILGEPGMGFKIAMQTLDMGRIGIASQALGIAQTALDCAVNYAENRMAF-------------GAPLTKLQVIQFKLADMALALESARLLTWRAAMLKDNKKPFIKEAAMA----------------KLAASEAATAISHQAIQILGGMGYVTEMPAERHYRDARITEIYEGTSEIQRLVIAG-------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2VIG.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 : 2176 -86928 -39.95 -238.81 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -39.95 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.401

(partial model without unconserved sides chains): PDB file : Tito_2VIG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VIG-query.scw PDB file : Tito_Scwrl_2VIG.pdb: