Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLTHDLHEKTKHYISIYAELKTKLKWKVSHDQILMLISSAYIVNKREFDFQRFYDLSSYIKSNIGSFSTLNSHHRFTVASILDIHFQHEAKQTFQTFIDVYNEMVKLGYKRDMFTYLSALILLTGKSETTNQKEQMNMGLAVYQQMKKNHYFLTSTQNVPLAVLLGENGKGLQALQKAETCYQLLAANGFKKGQYLHQVSHILALQSEKEPEMLVSACKQIYQSITESVKKTKDYHYPDLALLTFLEEPDIKTVLCITDELNQEKAFKWQKEMNFKIAVSLYLSEHMEKNLLMESGLYTAIETVIQAQQAAATAAIISSTAASHTHDGN 3RGF Chain:B ((1-266)) ----------KAMAGNFWQSSHYLQWILDKQDLLKERQKDLK----FLSEEEYWKLQIFFTNVIQALGEHLKLRQQVIATATVYFKRFYARYSLK--------------SIDPVLMAPTCVFLASKVEEFGVVSNTRLIAAATSVLKTRFSYAFPK----------EFPYRMNHILECE--FYLLELMDCCLIVYHPYRPLLQYVQDMGQEDMLLPLAWRIVNDTYRTD-----------LCLLYPPFMIALACLHVACVVQQKDARQWFAELSVD-------MEKILEIIRVILKLYEQWKNFDERKEMATILSKMPKPKPPP-----

General information: TITO was launched using: RESULT: Template: 3RGF.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 : 1183 -145677 -123.14 -547.66 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : -123.14 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.364

(partial model without unconserved sides chains): PDB file : Tito_3RGF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RGF-query.scw PDB file : Tito_Scwrl_3RGF.pdb: