Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSKGVESRKRLLKAAANEFSVRGFHDAKVSEIVKKAGFTQPSFYLYFQSKEAIFAELITDFHSRVRKLTESLLLENGLNTEDVSK-RVLLAVETVFQFLDEDKDLTKIGFF-LNPEAKQMKKDLAMVLKENL--------EAEQRLGYFHSELDMETVAECLVGMIEHLTESFLLTGIK-DPASLAAEVVNLLIYGMLPKGNDVR 3WHB Chain:A ((10-193)) ----------QIIDAAVEVIAENGYHQSQVSKIAKQAGVADGTIYLYFKNKEDI---LISLFKEKMGQFIER--MEEDIKEKATAKEKLALVISKHFSLLAGDHNLAIVTQLELRQSNLELRQKINEILKGYLNILDGILTEGIQS-GEIKEGLDVRLARQMIFGTIDETVTTWVMNDQKYDLVALSNSVLELLVSGIHN------

General information: TITO was launched using: RESULT: Template: 3WHB.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 : 579 -91522 -158.07 -529.03 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -158.07 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.451

(partial model without unconserved sides chains): PDB file : Tito_3WHB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WHB-query.scw PDB file : Tito_Scwrl_3WHB.pdb: