Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKNRILALFVLSLGLLSFMVTPVSAASKGNLLSPDRILTVAHRGASGYVPEHTILSYETAQKMKADFIELDLQMTKDGKLIVMHDEKLDRTTNGM------------GWVKDHTLADIKKLDAGSWFNEA-------YPEKAKPQYVGLKVPTLEEVLDRFGK-------HANYYIETKSPDTY----PGMEEKLIASLQKHKLLGKHSKPGQVIIQSFSKESLVKVHQ-LQPNLP----TVQLLEAKQMA---------SM---------TDAALEEIKTYAVGAGPDYKA-----------LNQENVRMIRSHGLLLHPYTVNNEA------DMHRLL-----DWGVTGVFTNYPDLFHKVKKGY 1YDY Chain:A ((29-356)) -----------------------------------NEKIVIAHRGASGYLPEHTLPAKAMAYAQGADYLEQDLVMTKDDNLVVLHDHYLDRVTDVADRFPDRARKDGRYYAIDFTLDEIKSLKFTEGFDIENGKKVQTYPGRFPMGKSDFRVHTFEEEIEFVQGLNHSTGKNIGIYPEIKAPWFHHQEGKDIAAKTLEVLKKYGYTG---KDDKVYLQCFDADELKRIKNELEPKMGMELNLVQLIAYTDWNETQQKQPDGSWVNYNYDWMFKPGAMKQVAEYADGIGPDYHMLIEETSQPGNIKLTGMVQDAQQNKLVVHPYTVRSDKLPEYTPDVNQLYDALYNKAGVNGLFTDFPDKAVKFLN--

General information: TITO was launched using: RESULT: Template: 1YDY.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 : 1390 -104564 -75.23 -413.29 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -75.23 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.463

(partial model without unconserved sides chains): PDB file : Tito_1YDY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YDY-query.scw PDB file : Tito_Scwrl_1YDY.pdb: