Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKVKTVYRCEQCGADHLKWAGQCSECGEWNCLNEVKLEPTTAHRARPKVGGYAGQVANITTLNKVSVSHETRLPTGISEFDRVLGGGLVTGSVVLIGGDPGIGKSTILLQTATHMASAKSSALYITGEESLSQVALRAQRLDLPTDQLKVMAETCVERICEVLEQERPVVAILDSIQTLYTETLQSAPGGVSQIRESAALLTRYAKNSGTALFIVGHVTKEGALAGPRVLEHMVDCVLYFEGQSDSRYRMIRAVKNRFGAVNELGVFGMTDKGLREVANPSAIFLSRYDEAIPGSIVMISREG--TRPLLVEVQALVDDA-QGQ-PRRVALGLE-QNRLNMLLAVMHRHG----------GVQTTGQDVYVNIV-GGLKITETGSDLAVLLACASSLRTKALPQQLAVFGEVGLSGEIRPVPNGQERLKEAAKHGFKYVILPRGNAPQ-KAIPGVQVIAVARLHEALTEAMQLSDELT 1XHK Chain:B ((4-186)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PKVGVIYGLAVLGAGGIGDVTKIIVQILESKNPGTHLLNISGDIAKHSITLASALSKKLVAEKKLPLPKKDIDLNNKEIYIQFSQSYSKIDGDSATAAVCLAIISALLDIPLKQDFAITGSLDLSGNVLAIGGVNEKIEAAKRYGFKRVIIPEANMIDVIETEGIEIIPVKTLDEIVPLVFDL-----

General information: TITO was launched using: RESULT: Template: 1XHK.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 : 867 -24866 -28.68 -149.80 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.58 3D Compatibility (PKB) : -28.68 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.441

(partial model without unconserved sides chains): PDB file : Tito_1XHK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XHK-query.scw PDB file : Tito_Scwrl_1XHK.pdb: