Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMNKSRIRILDIFMAIILVVGIGIFSYPFVEDSLNDFLAQQMIIHYQKQASNKNSEEIKKQQEKMTKKNQQLAEQNVSPGIGSFNQAVDAKALKDLPSNAFFMEHMLGVIEIPKINVSLPIFDQTTEIFLQKGTSLLEESSYPTGGKNTHAVLSGHRGLPEAKLFTDLPKLKKGDQFFIQINGKTLAYQVEKIQVVLPDEVDSLGIQKGRDLVTLLTCTPYMVNTHRLLVTGHRIPYQAKEAKKAIQGIDQWKKWKFFIWFIGILLGSIGLVWLLIAYLDSLAIAKRNYPLSFYVKNTNGRPIEGMVFSVKTLNGKHYITREKVPFVKASDEYGLVRFSDLKGRNYRLQHEELLLKIHVKHKHSKQFSMKLKKGRYKLRKEKEVYYLIEKE 2W1J Chain:B ((66-197)) ----------------------------------------------------------------------------------------------------------MGHVEIPVIDVDLPVYAGTAEEVLQQGAGHLEGTSLPIGGNSTHAVITAHTGLPTAKMFTDLTKLKVGDKFYVHNIKEVMAYQVDQVKVIEPTNFDDLLIVPGHDYVTLLTCTPYMINTHRLLVRGHRIPYV---------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2W1J.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 688 -99855 -145.14 -756.47 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -145.14 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.552

(partial model without unconserved sides chains): PDB file : Tito_2W1J.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2W1J-query.scw PDB file : Tito_Scwrl_2W1J.pdb: