Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGERMELIEKAPAKINLGLDVLYRRQDGYHELEMVMSSVNLADHLFFEEITEDKI-IVETNKAFLPVDERNNVYQAALLLKNKYNIKTGVKIFVKKNIPVAAGLGGGSTDCAAALRGINQLWNLGCSLEELAEIGLEVGTDVPYCVYGSTAFVGGKGEEIQVLPSMPQCWVVLVKPRMSVSTRTVFREVDTQAIQHQDIHGLAE------AIREQDYQQMIKKMGNSLEDITGKRHPVIHQIKERMIKYGADAALMSGSGPTVFALCQHYSRAQRVYNGLK--GFCEEVYLVRTLQ 3PYE Chain:A ((9-287)) ---------RVPGKVNLYLAVGDRREDGYHELTTVFHAVSLVDEVTVRNADVLSLELVGEGADQLPTDERNLAWQAAELMAEHVGRAPDVSIMIDKSIPVAGGMAGGSADAAAVLVAMNSLWELNVPRRDLRMLAARLGSDVPFALHGGTALGTGRGEELATVLSRNTFHWVLAFADSGLLTSAVYNELD-RLREVGDPPRLGEPGPVLAALAAGDPDQLAPLLGNEMQAAAVSLDPALARALRAGVEAGALAGIVSGSGPTCAFLCTSASSAIDVGAQLSGAGVCRTV-------

General information: TITO was launched using: RESULT: Template: 3PYE.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 : 1496 -69510 -46.46 -257.44 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -46.46 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.427

(partial model without unconserved sides chains): PDB file : Tito_3PYE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PYE-query.scw PDB file : Tito_Scwrl_3PYE.pdb: