Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRHVLIAVILFFLSIGLSAGCAEAGNKTQNQSATEVNASPLQPAEYFIYHNLMNDKGLIKTDFSDQPSYLSESLGLWMEFLLSKNDAPHFQDQYQHLTDSFLM-SNHLVTWKIQNG--QASGTNALIDDMRIMLSLDQAAAKWGRSDYAQTARDIGTSLKTYNMNNGFFTDFYDSQ----A----------ASKDVTLSYVMPDALAVLKKNG--IIDEETEQRNANVLYSAPL--KNGFLPKTYSSETKEYTYDSEINLIDQLYAAWHLPEGDEKASVLADWIKQEFQKNGKLYGRYSAYTKEPAVQYESPSVYALAVLFLTKQHENSSVIKAIYDRMNDFEIHDPVKSYYGGYMSGTQTHSFDNLLPLLAERKLFNENIIQ 3VW5 Chain:A ((71-229)) ---------------------------------------------------------------------------------------DNAKHAYEFIKNNCIDYEYGGVYWMMDFEGKPADTMKHTYNIAFAIYALSSYYRASGDKEALALAYRLFEDIEKNTLYEYGYREAFDRQWRLVDNEALSENGLKADKTMNAILHLIEAYTELYKADGNEKVADRLKFQLGQMRDIVYTPDTNALKVFFD-----------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3VW5.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 : 578 -53533 -92.62 -387.92 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : -92.62 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.373

(partial model without unconserved sides chains): PDB file : Tito_3VW5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VW5-query.scw PDB file : Tito_Scwrl_3VW5.pdb: