Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFQKKTYAVFLILLLMMFTAACSGSKTSAEKKESETEKSSDIAQVKIKDVSYTLPSKYDK----STSDDQLVLKVNVAVKNTGKDPLNVDS-MDFTLYQ-GDTKMSDTDPE--DYS----E-KLQGSTINADKSVEGNLFFVVDKGKQYELNYTPESYGDKKPKSVTFKIDGKDKKILATADKLQDSAKALSAYVDVLLFGKDNADFEKITGANKNEIVNDFNESAKDGYLSASGLSSTYADSKALDNIVNGIKEGLSKNSSIQAKTTSISKDEAIVEATVKPVDASSLSDRIEDKVKDYYSKNSSASYEEAVKYALQVYPEEFKKLGPASSEKTVEVKMKKNDIDQWQLDMDDYRAAELVEAFIKE 4LES Chain:A ((74-187)) ---------------------------------VNKDFHTPKFDVTVKRVVERDKVGKESIGFQKPEDGHVFIVVEAEGKNITSEPMKLAFLPSVDLVDENDNAYQSDVWAASSYDVEKGETSSITKELKPGEVKRQNKVYVINKEK----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4LES.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 : 396 -2085 -5.26 -20.64 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -5.26 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.461

(partial model without unconserved sides chains): PDB file : Tito_4LES.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LES-query.scw PDB file : Tito_Scwrl_4LES.pdb: