Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIYFDNSATTKPYPEALETYMQVASKILGNPSSLHRLGDQATRILDASRQQIADLIGKKSDEIFFTSGGTEGDNWLIKGVAFEKAQFGK-HIIVSAIEHPAVKESALWLKSQGFEVDFAPVDKKGLVDVEALAGLIRHDTILVSIMAVNNEIGSIQPIEAISEFLADKPTISFHVDAVQALAKIPTEKYLTERVDCATFSSHKFHGVRGVGFVYIKSGKK-------ITPLLTGGGQERDYRSTTENVAGIAATAKALRLSMEKLDIFRSKTGQMKAV---IRQAL---LNYPDIFVFSDEENFAPHILTFGIKGVRGEVIVHAFEDYDIFISTTSACSSKAGKPAGTLIAMGVDKDKAKSAVRLSL---DLENDMSQVEQFLTKLKLIYNQTRKVR 3VAX Chain:B ((22-379)) -TYLDAAATTRVDQRVADIVLHWMTAEFGNAGSRHEYGIRAKRGVERAREYLASTVSAEPDELIFTSGATESNNIALLGLAPYGERTGRRHIITSAIEHKAVLEPLEHLAGRGFEVDFLTPGPSGRISVEGVMERLRPDTLLVSLMHVNNETGVIQPVAELAQQLRATPTY-LHVDAAQGYGKVPGD--LTTPIDMISISGHKIGAPKGVGALVTRRREEMDDERVPLEPIMFGGGQERKLRPGTLPVPLIMGLAEAAK-------IFEAEHAQWQVAAQDLRSRLLAGLASTSFQVNGDQDHVVPHILNLSFEDVDAEAFLVTLKDL-VAVATGSASTSASFTPSHVLRAMGLPEEAASKSLRFSWTPG---------------------------

General information: TITO was launched using: RESULT: Template: 3VAX.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1768 -34630 -19.59 -101.55 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : -19.59 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.441

(partial model without unconserved sides chains): PDB file : Tito_3VAX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VAX-query.scw PDB file : Tito_Scwrl_3VAX.pdb: