Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLLLKVRQNVPQVQSIKTSLKKRAGQKIPHMLSNASDLFFRGSEIALSGKTPFDVIYKHEIISLRHYRIETEASAHKHRVPLVIVPPLAVNMLIYDLFPTRSLIRYFLDQGFEVYLIDWG---VPT-------RNQAKYNFGTYVKVFMPEMLKQVRIHSGQQQLSLHGWSLGGALSLCYTALFKDKDIKNLMILASPIDTHKAGYMGKLYGSLTKPAQWVRKHTPFRIRQHVPSEVFHIHGWQNTLGFKLTAPIGNLKTYWQLLKNLDNREFIVDHATSSSFIDNMLAYPGGVMRDIILRFWIDNELSTGVIKFGELTAYLKDIDCSVLAVGGDTDIIVTADAVKPLMDLISSQDKTFKTVPSGHMGVVSGSQAPTSVWPEMSNWLAMRSD 2RAU Chain:A ((83-178)) -----------------------------------------------------------------------------------------------------KSIVLYLARNGFNVYTIDYRTHYVPPFLKDRQLSFTANWGWSTWISD-IKEVVSFIKRDSGQERIYLAGESFGGIAALNYSSLYWKNDIKGLILL-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2RAU.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 : 186 -14729 -79.19 -175.34 target 2D structure prediction score : 0.79 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -79.19 2D Compatibility (Sec. Struct. Predict.) : 0.79 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.446

(partial model without unconserved sides chains): PDB file : Tito_2RAU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2RAU-query.scw PDB file : Tito_Scwrl_2RAU.pdb: