Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMVFELVKHSPNALRRYMTDMNVSASALANLTNISESKINKSLVEVEVFKLSQLETISKVLFVPTVYLTTDNFVYERNTPELIEFRNHIDIPQDRYKENALVQEFCQVRDNFISVLSSLNEEPKAFDLRLSGTNAEEDAQTIIDYFGFYTHTKKTKNSDDYFNAWRDIVELK-DVIVIDRGREKFGSDGMCLYFDTAPIITIFSSGQSQSRKLFTLIHEIVHLGLGSSV---FDGR----LLESDNSLEKYCDQVAGYVLAPKSIVAACFNEYLTIEENVILIRKQTKASKAAIAIQLKMLGLINQDQLTDYLEYIKPKENGGGFGSKKENMVLKYFGHSFVEKVMSAMWQERISSNTAKNILGFHKTSKPSAFKELQQKVF 3DTE Chain:A ((11-176)) -----------------------------------------------------------------------------------------------------------------------------------LAAAKARMRELAASYGAGLP---------G-RDTHSLMHGLDGITLTFMPMG--QRDGAY--DPEHHVILINSQ-VRPERQRFTLAHEISHALLLGDDDLLSDLHDEYEGDRLEQVIETLCNVGAAALLMPAELIDDLLTRFGPTGRALAELARRADVSATSALYALAERTA-------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3DTE.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 : 559 -37083 -66.34 -248.88 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -66.34 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.419

(partial model without unconserved sides chains): PDB file : Tito_3DTE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DTE-query.scw PDB file : Tito_Scwrl_3DTE.pdb: