Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQSQPVLTIVVPCFNEEEVFQETSHQLTEVVDDLIEEKLIAEDSKILFVDDGSKDRTWALIAMESIRNKKVTGLKLACNVGHQKALLAGLHKAKNRSDCVISIDADLQDDISVIRDFMLKYHEGCEIVYGVRRSRKTDTFFKRTTALGFYRLMNKLG-IKLIYNHADFRLMNKRSLEELERYPEANLFLRGIVPMIGFKSAEVLYDRKERFAGKTKYPLKKMLSFAFNGITSFSVAPIRFFTLLGFVLFFLS-AVAGIGAFIQKLLGHTNAGWASLIISIWFLGGLQLMGIGIIGEYIGTIFSEVKRRPKYAIDIDLYNEQLSPLQRQEKERLEKKYS 5EKP Chain:D ((28-337)) -------LSIVIPMYNEEDNLEHLFARLLEVLTPL---KITYE---IICVNDGSKDKTLKQLIDCYQSNRQIKIVNLSRNFGKEIALSAGIDYAQ--GNAVIPIDADLQDPPELIHELVDKWREGYDIVYATRR-----TWVKQFTAKMFYKVIGRMTEIKIPPNTGDFRLMDRKVVNAIKQLPERTRFMKGLFAWVGYRQTFVLF-----------WNYWKLWNFALDGIFSFSLLPLKVWTYLGSIISLLSLAYASFLILK------DVPGYASLMVAILFLGGVQLISLGVIGEYLGRVYEEVKARPLYLVS-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 D - contact count / total energy / energy per contact / energy per residue : 1120 -153660 -137.20 -537.27 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain D : 0.84 3D Compatibility (PKB) : -137.20 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.374

(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: