Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQSQPVLTIVVPCFNEEEVFQETSHQLTEVVDDLIEEKLIAEDSKILFVDDGSKDRTWALIAMESIRNKKVTGLKLACNVGHQKALLAGLHKAKNRSDCVISIDADLQDDISVIRDFMLKYHEGCEIVYGVRRSRKTDTFFKRTTALGFYRLMNKLG-IKLIYNHADFRLMNKRSLEELERYPEANLFLRGIVPMIGFKSAEVLYDRKERFAGKTKYPLKKMLSFAFNGITSFSVAPIRFFTLLGFVLFFLS-AVAGIGAFIQKLLGHTNAGWASLIISIWFLGGLQLMGIGIIGEYIGTIFSEVKRRPKYAIDIDLYNEQLSPLQRQEKERLEKKYS 5EKE Chain:A ((28-336)) -------LSIVIPMYNEEDNLEHLFARLLEVLTPL---KITYE---IICVNDGSKDKTLKQLIDCYQSNRQIKIVNLSRNFGKEIALSAGIDYAQ--GNAVIPIDADLQDPPELIHELVDKWREGYDIVYATRRSRQG------------------MTEIKIPPNTGDFRLMDRKVVNAIKQLPERTRFMKGLFAWVGYRQTFVLFDR----------NYWKLWNAALDGIFSFSLLPLKVWTYLGSIISLLSLAYASFLILKTITLG-DVPGYASLMVAILFLGGVQLISLGVIGEYLGRVYEEVKARPLYLVS-DLWGLEYLP--------------

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 A - contact count / total energy / energy per contact / energy per residue : 1075 -140271 -130.48 -504.57 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -130.48 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.411

(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: