Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLYGVIGNPIGHSMSPDIHNASLKDLGLDGHYHAFKVEENDLEDAVKGIRALGVQGINVTVPHKVSIMDYLDHIDESAKVLGAVNTVRREGD-KLVGYNTDGEGFVKSLM--KVLDKPISELSFLMIGAGGAARAIFTTIVRNTPKKFDICNRTLEKAKRLTEATPSFHNKEVLSIKEAEERLEQ-YDVIIHTTSVGMYPNVDDVPLSLQRAASSAVVCDIVYNPIQTALLKEASQKGL-KTLDGVGMFVEQAALSFQLWTGQEPNIEKMRSIVIGKLGGTEC 3PGJ Chain:C ((32-290)) ----YAVFGNPINHSKSPFIHTLFARQTQQSMIYTAQCVPVDGFTEAAKHFFAQGGRGCNVTVPFKEEAYRFADRLTERARLAGAVNTLKKLDDGEILGDNTDGEGLVQDLLAQQVLLKGA---TILLIGAGGAARGVLKPLLDQQPASITVTNRTFAKAEQLAELVAAYGEVKA----QAFEQLKQSYDVIINSTS----PAIDPVIFS-----SRSVCYDMMYGKGYTVFNQWARQHGCAQAIDGLGMLVGQAAESFMLWRGLRPGTKQI-------------

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 C - contact count / total energy / energy per contact / energy per residue : 1401 -47019 -33.56 -190.36 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain C : 0.76 3D Compatibility (PKB) : -33.56 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.547

(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: