Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQKDHVGAVYELLNEAAIMIKNELQISYIEALAEAGEMYFLEKTDQLKLPADQKTKQLQALLEKAEFGTYEHEWVRKAFQLAVLKGMKDISHPNRQMTPDTIGLFISYLVNKFMADKKELTILDPALGTGNLLFTVLNQLSE-KTANSFGIEIDDVLLKIAYAQANLLKKELELFHQDSLEPLFIDPVDTVICDLPVGYYPNDEGA---EAFELKADEGHSF-----------------AHHLFIEQSVKHTK-PGGYLFFMIPNH-LFESSQSGKLKQFFKDKVHINALLQLPKSIFKDEAHAKSILVLQKQGENTKAPGQILLANLPSFSNQKAMLDMMAQFDEWFKKEK 3LKD Chain:A ((219-411)) -------------------------------------------------------------------------------------------------------------------DKQGFTLYDATMGSGSLLLNAKRYSRQPQTVVYFGQELNTSTYNLA--------RMNMILHGVPIENQFLHNADTLDEDWPTQEPTNFDGVLMNPPYSAKWSASSGFMDDPRFSPFGKLAPKSKADFAFLLHGYYHLKQDNGVMAIVLPHGVLFRGNAEGTIRKALLEEGAIDTVIGLPANIFFNTSIPTTVIILKKNRTN------------------------------------

General information: TITO was launched using: RESULT: Template: 3LKD.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 : 801 -4103 -5.12 -24.14 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -5.12 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.255

(partial model without unconserved sides chains): PDB file : Tito_3LKD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LKD-query.scw PDB file : Tito_Scwrl_3LKD.pdb: