Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNIQQALNHITKNIHLTQPQMEEIMRSIMQGEATEAQIGALMMGLRMKGESIDEMTAAARVMREFAIKIDVSDIKHLVDIVGTGGDGQNLFNVSTASSFVIAAAGATIAKHGNRGVSSKSGSSDLLEQAGIHLDLDMQQTERCIREMGVGFLFAPNHHKAMKYAAGPRRELGIRSIFNLLGPLTNPAGVKRFVIGVFSDELCRPIAEVMKQLGAEHVMVVHSKDGLDEISLAAPTTIAELKDGEITEWTLNPEDVGIESQTLNGLVVADATASLKLIKDALSKNKSDIGEKAANMIALNAGAGIYVAGITKTYAQAVVFAQDIIYGGQTLEKMSVLAEFTKTLKQSQAD 4HKM Chain:A ((7-340)) ---QQALQRTIEHREIFHDEMVDLMRQIMRGEVSDAMVSAILTGLRVKKETIGEIAGAATVMREFSRRVEVTDRRHMVDIVGT------TFNISTCAMFVAAAGGAKVAKHG---------SADALEALGAVIELQPEQVAASLAQTGIGFMYAPVHHPAMKVVAPVRREMGVRTIFNILGPLTNPAGSPNILMGVFHPDLVGIQARVLQELGAERALVVWGRDGMDELSLGAGTLVGELRDGQVHEYEVHPEDFGIAMSA---------AESRAMLLQVL----DNVPGPALDIVALNAGAALYVAGVADSIADGIVRARQVLADGSARACLDAYVAFTQ--------

General information: TITO was launched using: RESULT: Template: 4HKM.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 : 1810 -246188 -136.02 -794.15 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -136.02 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.534

(partial model without unconserved sides chains): PDB file : Tito_4HKM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HKM-query.scw PDB file : Tito_Scwrl_4HKM.pdb: