Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNTMKRMFCSMTVLVTAPYNEEGRKELENLFGSVAYQSWKEQGRAYREDELIQLLKATNATGLITELDQVTDSVFASVPELSFVGVCRGMPSNVDVAAASKRGIPVFYTPGRNAQAVAEMFIGNVISFLRHTSASNQWLKDGEWDSDYLQAY-VKFKGNELTGKTVGMIGFGAVGQRIAKLLTAFDCKIKYYDPYIQDDHP----LYEKASLKTVFSDSDIVSVHLPRTEETLGLIDRQYFDLMKESAIFVNTSRAVVVNREDLLFVLKEHKISGAILDVFYHEPPEESDYELISLPNVLATPHLAGATFEVEDHHVTILNKALKKWKGEKTLNIQTMYNKDALKTGG 4U6S Chain:A ((98-311)) ---------------------------------------------------------------------------------------------NIDIKSAGDLGIAVCNVPAASVEETADSTLCHILNLYRRATWLHQALREGTRVQSVEQIREVASGAARIRGETLGIIGLGRVGQAVALRAKAFGFNVLFYDPYLSDGVERALGLQRVSTLQDLLFHSDCVTLHCGLNEHNHHLINDFTVKQMRQGAFLVNTARGGLVDEKALAQALKEGRIRGAALDVHESEPFSFSQGPLKDAPNLICTPHAA------------------------------------------

General information: TITO was launched using: RESULT: Template: 4U6S.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 : 967 -13189 -13.64 -63.10 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -13.64 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.592

(partial model without unconserved sides chains): PDB file : Tito_4U6S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4U6S-query.scw PDB file : Tito_Scwrl_4U6S.pdb: