Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNVLIIGKGGREHTLAWKAAQSSLVENVFAAPGNDGMAA--SAQLVNIEESDHAGLVSFAKQNQVGLTIVGPEVPLIEGLVDEFEKAGLHVFGPSKAAAIIEGSKQFAKDLMKKYDIPTAEYETFTSFDEAKAYVQEKGAPIVIKADGLAAGKGVTVAMTEEEAIACLHDFLEDEKFGDASASVVIEEYLSGEEFSLMAFVKGEKVYPMVIAQDHKRAFDGDKGPNTGGMGAYSPVPQISEETVRHAVETIV-KPAAKAMVQEGRSFTGVLYAGLMLTEN-GSKVIEFNARFGDPETQVVLPRMESDLVQVLLDLLDDKEVDLR--WKDTAA-----VSVVLASEGYPESYAKGTPIGSLAA-ET--EQVVV----FHAGTKAEGGEFVTNGGRVANVTAFDETFEAARDRVYKAVDEIFKPGLFFRKDIGARALKAAQK 3MJF Chain:A ((4-428)) MNILIIGNGGREHALGWKAAQSPLADKIYVAPGNAGTALEPTLENVDIAATDIAGLLAFAQSHDIGLTIVGPEAPLVIGVVDAFRAAGLAIFGPTQAAAQLEGSKAFTKDFLARHNIPSAEYQNFTDVEAALAYVRQKGAPIVIKADGLAAGKGVIVAMTQEEAETAVNDMLAGNAFGDAGHRIVVEEFLDGEEASFIVMVDGENVLPMATSQDHKRVGDGDTGPNTGGMGAYSPAPVVTDDVHQRVMDQVIWPTVRGMAAEGNI-YTGFLYAGLMISADGQPKVIEFNCRFGDPETQPIMLRMRSDLVELCLAGTQGKLNEKTSDWDERPSLGVVLAAGGYPADYRQGDV-----IHGLPQQEVKDGKVFHAGTKLNGNHEV-----VTNGGRVLCVTALGETVAQAQQYAYQLAEGIQWEGVFCRKDIGYRAIA----

General information: TITO was launched using: RESULT: Template: 3MJF.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 : 2363 -220553 -93.34 -541.90 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -93.34 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.470

(partial model without unconserved sides chains): PDB file : Tito_3MJF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MJF-query.scw PDB file : Tito_Scwrl_3MJF.pdb: