Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNFKPLAYILLATSSLTACTMAPVKEQKIEPFVFKEPELTPPFYALNPFNYDAPPAFEVALKEAAAQPVTKMVVTRQDDPTKTLTLDTNKLIVPTVNNSQRSMKYAVLAGDNEIDVTEIDDFLQLVEGKARHYPPRFTDRQERKGFESKLMEVTQRLDTLAANPDASFDILIRAFKASVLARNLDLGTAHTTKSLEYAQRLLKINPDDAEANFWFGFGLSEGGGQREAIPYLDKAIKGNVQEAYLAAANNYIAMEQKKNAIQTLKNYKVKYPDEAEVADRLIQEIEKQGRWNVWQVLTNPAMSSATPSAATKK 4MY8 Chain:A ((73-179)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------AGMDTVTEADMAIAMARQGGLGIIHKNMSIE--QQAEQVDKVKRSGGLLVGAAV---GVTADAMTRIDALVKASVDAIVLDTAHGH-----SQGVIDKVKEVRAKYP-----------------------------------------

General information: TITO was launched using: RESULT: Template: 4MY8.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 : 389 -31788 -81.72 -327.71 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -81.72 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.326

(partial model without unconserved sides chains): PDB file : Tito_4MY8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MY8-query.scw PDB file : Tito_Scwrl_4MY8.pdb: