Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKQYWFIILTYIIMQFSALIAIPLLFKFGYAGGQPTDENMLHAQGLWSVISFIACLVVVLLILRTVPKETLRN--GQKDSIGLSILWAIAGFFIAL-FSQGIAGSIEYYVFGIGRESENTQAILDVIQAVPLMIIVSSIVGPILEEIIFRKIIFGALYEKTNFFFAGL----------ISSVIFGIVHADLKHLLLYTAMGFTFAFLYARTKRIWVPIFAHLMMNTFVVIMQLEPVRNYLEQQSTQMQLIIGGLFL 2W1B Chain:A ((427-565)) -------------------------------------------------------------------PKEATRKSMGQIQGALVGIAMVLSAVFVPMAFFGGSTGAI-YRQFSI-----------TIVSAMALSVLVALILTPALCATMLKPIAKGDHGEGKKGFFGWFNRMFEKSTHHYTDSVGGILRSTGRYLVLYLIIVVGMAYLFVRLPSSFLP---------------------------------------

General information: TITO was launched using: RESULT: Template: 2W1B.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 : 149 -28077 -188.43 -222.83 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -188.43 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.021

(partial model without unconserved sides chains): PDB file : Tito_2W1B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2W1B-query.scw PDB file : Tito_Scwrl_2W1B.pdb: