Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKQYWFIILTYIIMQFSALIAIPLLFKFGYAGGQPTDENMLHAQGLWSVISFIACLVVVLLILRTVPKETLRN--GQKDSIGLSILWAIAGFFIAL-FSQGIAGSIEYYVFGIGRESENTQAILDVIQAVPLMIIVSSIVGPILEEIIFRKIIFGALYEKTNFFFAGL----------ISSVIFGIVHADLKHLLLYTAMGFTFAFLYARTKRIWVPIFAHLMMNTFVVIMQLEPVRNYLEQQSTQMQLIIGGLFL 3NOG Chain:A ((427-580)) -------------------------------------------------------------------PKEATRKSMGQIQGALVGIAMVLSAVFVPMAFFGGSTGAI-YRQFSI-----------TIVSAMALSVLVALILTPALCATMLKPIAKGDHG------FGWFNRMFEKSTHHYTDSVGGILRSTGRYLVLYLIIVVGMAYLFVRLPSSFLP---------------------------------------

General information: TITO was launched using: RESULT: Template: 3NOG.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 : 133 -26750 -201.13 -222.92 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -201.13 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.043

(partial model without unconserved sides chains): PDB file : Tito_3NOG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NOG-query.scw PDB file : Tito_Scwrl_3NOG.pdb: