Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKMKYYEETSALLHEFSEENQKYFEELWESFNLAGFLYDEDYLREQIYLMMLDFSEAERDGMSAEDYLGKN-PKKIMKEILKGAPRSSIKESLLTPILVLAVLRYYQLLGDFSKGPLLTVNLLTFLGQLLIFLIGFGLVATILRRSLVQDSPKMKIGTYIVVGTIVLLVVLGYVGMASFIQEGAFYIPAPWDSLSVFTISLVIGIWNWKEAVFRPFVSMIIAHLVVGSLLRYYEWMGISNVFLTKVIPLAVLFIGIFLLFRGFKKIKWSEVQSKSRCKAVFCYNEGKNVRN 3IPJ Chain:B ((3-85)) --ANKYNKIANELIKIIGEDNIISITHCATRLRVMV--KDREIINDKKVEKVDEVKGVFFTSGQYQIILGTGIVNKVYAEVEKMGLK-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3IPJ.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 : 353 -20607 -58.38 -251.30 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain B : 0.43 3D Compatibility (PKB) : -58.38 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.43 QMean score : 0.209

(partial model without unconserved sides chains): PDB file : Tito_3IPJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IPJ-query.scw PDB file : Tito_Scwrl_3IPJ.pdb: