Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQSQPVLTIVVPCFNEEEVFQETSHQLTEVVDDLIEEKLIAEDSKILFVDDGSKDRTWALIAMESIRNKKVTGLKLACNVGHQKALLAGLHKAKNRSDCVISIDADLQDDISVIRDFMLKYHEGCEIVYGVRRSRKTDTFFKRTTALGFYRLMNKLG-IKLIYNHADFRLMNKRSLEELERYPEANLFLRGIVPMIGFKSAEVLYDRKERFAGKTKYPLKKMLSFAFNGITSFSVAPIRFFTLLGFVLFFLS-AVAGIGAFIQKLLGHTNAGWASLIISIWFLGGLQLMGIGIIGEYIGTIFSEVKRRPKYAIDIDLYNEQLSPLQRQEKERLEKKYS 5EKE Chain:C ((28-337)) -------LSIVIPMYNEEDNLEHLFARLLEVLTPL---KITYE---IICVNDGSKDKTLKQLIDCYQSNRQIKIVNLSRNFGKEIALSAGIDYAQ--GNAVIPIDADLQDPPELIHELVDKWREGYDIVYATRRSRQGETWVKQFTAKMFYKVIGRMTEIKIPPNTGDFRLMDRKVVNAIKQLPERTRFMKGLFAWVGYRQTFVLFDR----------NYWKLWNAALDGIFSFSLLPLKVWTYLGSIISLLSLAYASFLILKTITL-VDVPGYASLMVAILFLGGVQLISLGVIGEYLGRVYEEVKARPLYLVS-DLWGLEYLPL-------------

General information: TITO was launched using: RESULT: Template: 5EKE.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1146 -154585 -134.89 -520.49 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain C : 0.83 3D Compatibility (PKB) : -134.89 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.409

(partial model without unconserved sides chains): PDB file : Tito_5EKE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5EKE-query.scw PDB file : Tito_Scwrl_5EKE.pdb: