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

General information: TITO was launched using: RESULT: Template: 5EKP.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 : 1134 -154918 -136.61 -521.61 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain C : 0.83 3D Compatibility (PKB) : -136.61 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.390

(partial model without unconserved sides chains): PDB file : Tito_5EKP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5EKP-query.scw PDB file : Tito_Scwrl_5EKP.pdb: