Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKMKYYEETSALLHEFSEENQKYFEELWESFNLAGFLYDEDYLREQIYLMMLDFSEAERDGMSAEDYLGKNPKKIMKEILKGAPRSSIKESLLTPILVLAVLRYYQLLGDFSKGPLLTVNLLTFLGQLLIFLIGFGLVATILRRSLVQDSPKMKIGTYIVVGTIVLLVVLGYVGMASFIQEGAFYIPAPWDSLSVFTISLVIGIWNWKEAVFRPFVSMIIAHLVVGSLLRYYEWMGISNVFLTKVIPLAVLFIGIFLLFRGFKKIKWSEVQSKSRCKAVFCYNEGKNVRN 2HH6 Chain:A ((12-96)) -NDKREWKAMEARAKALPKEYHHAYKAIQKYMWTSGGPTDWQDTKRIFGGILDLFEEGAAEGKKVTDLTGEDVAAFCDELMKDTKT-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2HH6.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 : 251 -33165 -132.13 -390.17 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.44 3D Compatibility (PKB) : -132.13 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.44 QMean score : 0.758

(partial model without unconserved sides chains): PDB file : Tito_2HH6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HH6-query.scw PDB file : Tito_Scwrl_2HH6.pdb: