Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLLLKVRQNVPQVQSIKTSLKKRAGQKIPHMLSNASDLFFRGSEIALSGKTPFDVIYKHEIISLRHYRIETEASAHKHRVPLVIVPPLAVNMLIYDLFPTRSLIRYFLDQGFEVYLIDWGVPTRNQAK---YNFGTYVKVFMPEMLKQVRIHSGQQQLSLHGWSLGGALSLCYTALFKDKDIKNLMILASPIDTHKAGYMGKLYGSLTKPAQWVRKHTPFRIRQHVPSEVFHIHGWQNTLGFKLTAPIGNLKTYWQLLKNLDNREFIVDHATSSSFIDNMLAYPGGVMRDIILRFWIDNELSTGVIKFGELTAYLKDIDCSVLAVGGDTDIIVTADAVKPLMDLISSQDKTFKTVPSGHMGVVSGSQAPTSVWPEMSNWLAMRSD 2XUA Chain:H ((6-264)) --------------------------------------------------------YAAVNGTELHYRIDGE---RHGNAPWIVLSNSLGTDLSMW-----APQVAALS-KHFRVLRYDTRGHGHSEAPKGPYTIEQLTGDVL-GLMD----TLKIARANFCGLSMGGLTGVALAARHA-DRIERVALCNTAARIGSPEVW--VP-----------RA----VK----ARTEGMHAL-ADA---------VLPRWFTADYMEREPVVLAMI---RDVFVH---TDKEGYASNCEA-----------IDAADLRPEAPGIKVPALVISGTHDLAATPAQGRELAQAIA--GARYVELDASHISNIE---RADAFTKTVVDFLTE---

General information: TITO was launched using: RESULT: Template: 2XUA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain H - contact count / total energy / energy per contact / energy per residue : 1573 -78590 -49.96 -306.99 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain H : 0.63 3D Compatibility (PKB) : -49.96 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.363

(partial model without unconserved sides chains): PDB file : Tito_2XUA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XUA-query.scw PDB file : Tito_Scwrl_2XUA.pdb: