Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQLTHESQQLTTPKENGWCGPLPRLV----------ASLSSLVLPLPR------TESY------EFAGCAVNNRFDPRQGAFRDLPSSPPIPLAVSLPLNNPPANFRS-SAASMPPSPVRRPAVPPRQPFTSRTNALEGFPSPHPSSTPSKRRLAPSATLPPPSYAREHGIFLGRRRPKDCEGVGQFVKRVHWEGKVMVVKYGRSVRQAEVDVMKMVRERTHVPVPEVFGTAFDEAAGELFIYQEFIEGTTLTAAWPTLSHPDLSRIKSDFSRYVHELGALALPPDASLGSCDASSSYRLSEPCHAVFAQKPEPKVQSVEDFTRWIRFEISRRSRDLANSRKDFDLERLFRDGDVGLVHADLHGENILVKNGRIAAILDWELAAWMPPLVEALSLVEYSRMFDEDAGAPIDALIDALGLEDATRDVLDGLCTALRAWPDEKWEEVS--- 5KE1 Chain:A ((2-323)) ----FGNNVKVEAIINNWAQKDYKLLSADKGITGFSVSNISIINPLLTTGAIDYTKSYISDQNKLIYGLSWNDTDGDSHGEFN-LKENAELTVSTILADNLSHHNINSWDGKSLTKSGEGTLILAEKNTYSGFTNINAG-----------ILKMGTVEAMT-----RTAGVIVNKGATLNFSGMNQTVNTLLNSGTVLINNINAPFLPDPVIVTGNMTLEKN---GHVILNNSSSNVGQTYVQKGNWHGK----------------------GGILSLGAV-------LGN-DNSKTDRLEIAGHAS---------------------GITYVAVTNEGGSGDKTLE------GVQIISTDSSDKNAFIQKGRIVA-----------------GSYDYRLKQGTVSGLN-----------------------------TNKWYLTSQMD

General information: TITO was launched using: RESULT: Template: 5KE1.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 : 1676 89536 53.42 302.49 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 53.42 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.064

(partial model without unconserved sides chains): PDB file : Tito_5KE1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5ke1-query.scw PDB file : Tito_Scwrl_5KE1.pdb: