Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEVLDVVIVGGGLVGGLTALLLAQGGVQPTVLDAAPVLDVEKTLSVMNPRVLALSQATIHLLKTVNVWDDL-ARQMPYTGMQVWNLNGYGEI-NFGHESVQRPISEQALGSMVEPSVLNVAIQQKMLEQLTDYRTQVRVTCIEQGVGCWHIQLADGTALKTKLLIGADGANSFVREQAFIDLDVLDYKQAAISCAIKTSKP---H-HYVARQIFLPTGPLAYLPMASLEESENGYWQSIVWTLPDDYAD-EYSA-LSDREFMQLLTRESQHMLGEVL-DVRSRAQFPLKA-RAAKQYVKAGLALIGDAAHVIHPLAGQGVNIGCLDAAVLCDALLHDLGRGVWAH-EQTLMRYEHRRKGQNDAMMHSMSAIGWLESSELFPLIWARNVGLKQVEQISFLKERFMQQANGLGALQNTQYSR 5HYM Chain:A ((3-376)) NLQDARIIIAGGGIGGAANALALAQKGANVTLFERASEFG-------EVGAGLQVGPHGARILDSWGVLDDVLSRAFLPKNIVFRDAITAEVLTKIDLGSE-FRGRYGGPYFVTHRSDLHATLVDAARAAGAELHTGVTVTDVITEGDKAIVSTDDGRTHEADIALGMDGLKSRLREKISGDEPV-SSGYAAYRGTTPYRDVELDEDIEDVVGYIGPRCHFIQYPLRGG------EMLNQVAVFESPGFKNGIENWGGPEELEQAYA-HCHENVRRGIDYLWKDRWWPMYDREPIENWVDGRMILLGDAAHPPLQYLASGAVMAIEDAKCLADYAAEDFSTGGNSAWPQILKEVNTERAPRCNRILTTGRMWGELWHLDG-TARIARNELF------------------------------

General information: TITO was launched using: RESULT: Template: 5HYM.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 : 2149 -79720 -37.10 -219.61 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -37.10 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.400

(partial model without unconserved sides chains): PDB file : Tito_5HYM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HYM-query.scw PDB file : Tito_Scwrl_5HYM.pdb: