Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTKRWFVDVTDELSTNDPQIAQAAALLRENEVVAFPTETVYGLGANAKNTDAVKKIYEAKGRPSDNPLIVHIADISQLEDLTGP--APEKAKTLMKRFWPGALTLILPCKPDALSPRVTAGLETVAIRMPDHPLALALIRESGLPIAAPSANLSGKPSPTKAEHVAHDLDGRIAGIVDGGPTGIGVESTVLSCADDIPVLLRPGGITKEQIEAVIGPIHVDKGLSDQNEKPISPGMKYTHYAPTAPLAICEGSPERIQHLIQEYQQGGRRVGVLTTEEKAGVYSADYVKSCGRRAQLETVAAGLYDALRSFDENKVDFIIAESFPDTGVGLAIMNRLMKAAGGRVIR 1HRU Chain:A ((4-188)) --------------NLQRDAIAAAIDVLNEERVIAYPTEAVFGVGCDPDSETAVMRLLELKQRPVDKGLILIAANYEQLKPYIDDTMLTDVQRETIFSRWPGPVTFVFPAPA-TTPRWLTGRFDSLAVRVTDHPLVVALCQAYGKPLVSTSANLSGLPPCRTVDEVRAQFGAAFP-VVPGETGGRLNPSEIRDALT--GELFR-------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1HRU.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 : 939 -35360 -37.66 -193.22 target 2D structure prediction score : 0.78 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -37.66 2D Compatibility (Sec. Struct. Predict.) : 0.78 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.575

(partial model without unconserved sides chains): PDB file : Tito_1HRU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1HRU-query.scw PDB file : Tito_Scwrl_1HRU.pdb: