Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKQFAVIGNPIEQSRSPELHHAFAEKTGVDLNYQKRLAPLDGFESSMRSFFAEGGSGMNVTVPFKEQAFALCNVLTERAQIAKAVNTL-WMENGKLHGDNTDGQGLVAAIQALEWNLENTTILILGAGGATRGVIYPLVQAGAKKIVIANRTLARAEQLVDDLKTAVPQAQLQAISLNDLEGDFDIVINATSASLSGDALQLPEKLKF---KYAYEMAYGKPSSFLDQ-AKQRNVPYA-EGFGMLVGQAIEAFSIWNGVRPQLKDFL 3PGJ Chain:B ((31-291)) ---QYAVFG---NHSKSPFIHTLFARQTQQSMIYTAQCVPVDGFTEAAKHFFAQGGRGCNVTVPFKEEAYRFADRLTERARLAGAVNTLKKLDDGEILGDNTDGEGLVQDLLAQQVLLKGATILLIGAGGAARGVLKPLLDQQPASITVTNRTFAKAEQLA-ELVAAYGEVKAQA--FEQLKQSYDVIINSTSASLDGE-LPAIDPVIFSSRSVCYDMMYGKGYTVFNQWARQHGCAQAIDGLGMLVGQAAESFMLWRGLRPGTKQIL

General information: TITO was launched using: RESULT: Template: 3PGJ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1449 -43031 -29.70 -170.76 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.84 3D Compatibility (PKB) : -29.70 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.457

(partial model without unconserved sides chains): PDB file : Tito_3PGJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PGJ-query.scw PDB file : Tito_Scwrl_3PGJ.pdb: