Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKQSLFFVPGIILIGVSLRTPFTVLPIILGNISQ------GLEVEVSSLGVLTSLPLLMFTLFSPFSTQLAQK-IGLEHLFTYSLFFLTIGSLIRL-IN-LPLLYLGTLMVGASVAVINVLLPSLIQANQPK---KIGFLTTLYVTSMGIATALASYLAVPITQASSWKGLILLLTLLCLATFLVWLPNHRYNH--------RLAPQ---TK-----------------------------------------------------QKSQIKVMRNKQVWAIIIFSGFQSLIFYTVMTWLPTMSIHA-GLS----SHEAGLLTSILSLISIPFSMTIPSLTTSLSTRNRQL----MLTLVSLAGVIGISMLFF-PI-------NNFIYWLAIHLLIGTATSALFPYLMVNFSLKTSAPEKTAQLSGLSQTGGYILAAFGPTLFGYSFDLFHSWVPSVAALLLIDILMTVALFTVDRADKIL 4IKY Chain:A ((39-480)) ----------------------YYGMRAILVYYMYYEVSKGGLGLDEHLALAIMSIYGALVYMSGIIGGWLADRVFGTSRAVFYGGLLIMAGHIALAIPGGVAALFVSMALIVLGTGLLKPNVSSIVGDMYKPGDDRRDAGFSIFYMGINLGAFLAPLVVGTAGMKYNFHLGFGLAAVGMFLGLVVFVATRKKNLGLAGTYVPNPLTPAEKKKAAAIMAVGAVVIAVLLAILIPNGWFTVETFISLVGILGIIIPIIYFVVMYRSPKTTAEERSRVIAYIPLFVASAMFWAIQQQGSTILANYADKRTQLDVAGIHLSPAWFQSLNPLFIIILAPVFAWMWVKLG-KRQ-PTIPQKFALGLLFAGLSFIVILVPGHLSGGGLVHP-IWLVLSYFIVVLGELCLSPVGLSATTKLAP-AAFSAQTMSLWFLSNAAAQAINAQLVRFYTPEN--ETAYFGTIGGAALVLGLI-----------

General information: TITO was launched using: RESULT: Template: 4IKY.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 : 1200 -156543 -130.45 -448.55 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -130.45 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.280

(partial model without unconserved sides chains): PDB file : Tito_4IKY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IKY-query.scw PDB file : Tito_Scwrl_4IKY.pdb: