Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMVFELVKHSPNALRRYMTDMNVSASALANLTNISESKINKSLVEVEVFKLSQLETISKVLFVPTVYLTTDNFVYERNTPELIEFRNHIDIPQDRYKENALVQEFCQVRDNFISVLSSLNEEPKAFDLRLSGTNAEEDAQTIIDYFGFYTHTKKTKNSDDYFNAWRDIVELK-DVIVIDRGREKFGSDGMCLYFDTAPIITIFSSGQSQSRKLFTLIHEIVHLGLGSSV---FDGR----LLESDNSLEKYCDQVAGYVLAPKSIVAACFNEYLTIEENVILIRKQTKASKAAIAIQLKMLGLINQDQLTDYLEYIKPKENGGGFGSKKENMVLKYFGHSFVEKVMSAMWQERISSNTAKNILGFHKTSKPSAFKELQQKVF 3DTK Chain:A ((31-196)) -----------------------------------------------------------------------------------------------------------------------------------LAAAKARMRELAASYGAGLP---------G-RDTHSLMHGLDGITLTFMPMG--QRDGAY--DPEHHVILINSQ-VRPERQRFTLAHEISHALLLGDDDLLSDLHDEYEGDRLEQVIETLCNVGAAALLMPAELIDDLLTRFGPTGRALAELARRADVSATSALYALAERTA-------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3DTK.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 : 593 -38117 -64.28 -255.82 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -64.28 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.491

(partial model without unconserved sides chains): PDB file : Tito_3DTK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DTK-query.scw PDB file : Tito_Scwrl_3DTK.pdb: