Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIISHRYFIIVFLLVIADQKFSVLVLRSDLVAGLSDFAYYLSDMMLNFLV----VLFALIAMIWSGKWQKINSRKFKGSYLFYSFLALLAFVAWNFVTFFL--FPPTRNEISYQHAAPTFTGATAFLMYFFYPVIAGPIFEDMIYRGLVMTALEKGKKWGLDVLGSAVLFGVSHISNHGWVLTDFVFYMGGGLIFAVLFRMTKSIYWPIGLHIVYNGIGQLLMLL 5JKI Chain:A ((20-220)) MYKPVSLFLFFLILAAAIHTNAVQSADEAISKAAVLIRQPWLNEVMTGITHLGASSFLLPLIVIIGAGMFFYRKTWDGLLMLLVFGTDRLLNKVLKEWIERVRPDFAPLVHESSF-----SFPSGHSMNAACVYPVIAYFLVKHLPFLS------KHKKMVYIIAGVIAVLVGISRVYLGVHFVTDVLGGFSLGLLLFFLVKGFDEKIKRFR---------------

General information: TITO was launched using: RESULT: Template: 5JKI.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 : 846 -156844 -185.39 -804.33 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -185.39 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.254

(partial model without unconserved sides chains): PDB file : Tito_5JKI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5JKI-query.scw PDB file : Tito_Scwrl_5JKI.pdb: