Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLLLKVRQNVPQVQSIKTSLKKRAGQKIPHMLSNASDLFFRGSEIALSGKTPFDVIYKHEIISLRHYRIETEASAHKHRVPLVIVPPLAVNMLIYDLFPTRSLIRYFLDQGFEVYLIDWGVPTRNQAKY-----NFGTYVKVFMPEMLKQVRIHSGQQQLSLHGWSLGGALSLCYTALFKDKDIKNLMILASPIDTHKAGYMGKLYGSLTKPAQWVRKHTPFRIRQHVPSEVFHIHGWQNTLGFKLTAPIGNLKTYWQLLKNLDNREFIVDHATSSSFIDNMLAYPGGVMRDIILRFWIDNELSTGVIKFGELTAYLKDIDCSVLAVGGDTDIIVTADAVKPLMDLISSQDKTFKTVPSGHMGVVSGSQAPTSVWPEMSNWLAMRSD 4JNC Chain:A ((6-127)) --------------------------------------------------------VTVKPRVRLHFVELG-------SGPAVCLCHGFPESWYSW-----RYQIPALAQAGYRVLAMDMKGYGESSAPPEIEEYCMEVLCK-----EMVTFLDKLGLSQAVFIGHDWGGMLVWYMALFYP-ERVRAVASLNTPFI------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4JNC.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 : 591 -76866 -130.06 -656.97 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -130.06 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.433

(partial model without unconserved sides chains): PDB file : Tito_4JNC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JNC-query.scw PDB file : Tito_Scwrl_4JNC.pdb: