Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNIQQALNHITKNIHLTQPQMEEIMRSIMQGEATEAQIGALMMGLRMKGESIDEMTAAARVMREFAIKIDVSDIKHLVDIVGTGGDGQNLFNVSTASSFVIAAAGATIAKHGNRGVSSKSGSSDLLEQAGIHLDLDMQQTERCIREMGVGFLFAPNHHKAMKYAAGPRRELGIRSIFNLLGPLTNPAGVKRFVIGVFSDELCRPIAEVMKQLGAEHVMVVHSKDGLDEISLAAPTTIAELKDGEITEWTLNPEDVGIESQTLNGLVVADATASLKLIKDALSKNKSDIGEKAANMIALNAGAGIYVAGITKTYAQAVVFAQDIIYGGQTLEKMSVLAEFTKTLKQSQAD 4HKM Chain:B ((4-343)) ITPQQALQRTIEHREIFHDEMVDLMRQIMRGEVSDAMVSAILTGLRVKKETIGEIAGAATVMREFSRRVEVTDRRHMVDIVGT-----HTFNISTCAMFVAAAGGAKVAKHGNR-----SGSADALEALGAVIELQPEQVAASLAQTGIGFMYAPVHHPAMKVVAPVRREMGVRTIFNILGPLTNPAGSPNILMGVFHPDLVGIQARVLQELGAERALVVWGRDGMDELSLGAGTLVGELRDGQVHEYEVHPEDFGIAMSASRNLKVADAAESRAMLLQVLDNVP----GPALDIVALNAGAALYVAGVADSIADGIVRARQVLADGSARACLDAYVAFTQQAT-----

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 B - contact count / total energy / energy per contact / energy per residue : 1968 -243697 -123.83 -738.47 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.84 3D Compatibility (PKB) : -123.83 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.538

(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: