Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNIQQALNHITKNIHLTQPQMEEIMRSIMQGEATEAQIGALMMGLRMKGESIDEMTAAARVMREFAIKIDVSDIKHLVDIVGTGGDGQNLFNVSTASSFVIAAAGATIAKHGNRGVSSKSGSSDLLEQAGIHLDLDMQQTERCIREMGVGFLFAPNHHKAMKYAAGPRRELGIRSIFNLLGPLTNPAGVKRFVIGVFSDELCRPIAEVMKQLGAEHVMVVHSKDGLDEISLAAPTTIAELKDGEITEWTLNPEDVGIESQTLNGLVVADATASLKLIKDALSKNKSDIGEKAANMIALNAGAGIYVAGITKTYAQAVVFAQDIIYGGQTLEKMSVLAEFTKTLKQSQAD 1KHD Chain:A ((12-344)) -THQPILEKLFKSQSMTQEESHQLFAAIVRGELEDSQLAAALISMKMRGERPEEIAGAASALLADAQPFPRPD-YDFADIVGTGGDGTNSINISTASAFVAASCGAKVAKHGNR--------CDLLQAFGIRLDMSAEDSRQALDDLNVCFLFAPQYHTGFRHAMPVRQQLKTRTIFNVLGPLINPARPPKALIGVYSPELVLPIAQALKVLGYKNAAVVHG-GGMDEVAIHTPTQVAELNNGEIESYQLSPQDFGLQSYSLNALQGGTPEENRDILARLL---QGKGDAAHARQVAANVALLLKLFG-QDNLRHNAQLALETIRSGTAFERVTALAAR----------

General information: TITO was launched using: RESULT: Template: 1KHD.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 : 1908 -216363 -113.40 -667.79 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -113.40 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.546

(partial model without unconserved sides chains): PDB file : Tito_1KHD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KHD-query.scw PDB file : Tito_Scwrl_1KHD.pdb: