Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKEKNVILTARDIVVEFDVRDKVLTAIRGVSLELVEGEVLALVGESGSGKSVLTKTFTGMLEENGRIAQGSIDYRGQDLTALSSHKDWEQIRGAKIATIFQDPMTSLDPIKTIGSQITEVIVKH----QGKTAKEAKELAIDYMNKVG-IPDADRRFN----EYPFQYSGGMRQRIVIAIALACRPDVLICDEPTTALDVTIQAQIIDLLKSLQNEYHFTTIFITHDLGVVASIADKVAVMYAGEIVEYGTVEEVFYDPRHPYTWSLLSSLPQLADDKGDLYSIPGTPPSLYTDLKGDAFALRSDYAMQIDFEQKAPQFSVSETHWAKTWLLHEDAPKVEKPAVIANLHDKIREKMGFAHLAD 4AYT Chain:A ((364-567)) -------------------------------SLSIPSGSVTALVGPSGSGKSTVLSLLLRLYDP----ASGTISLDGHDIRQL--NPVWLR---SKIGTVSQEPIL-------FSCSIAENIAYGADDPSSVTAEEIQRVA-EVANAVAFIRNFPQGFNTVVGEKGVLLSGGQKQRIAIARALLKNPKILLLDEATSALDAENEYLVQEALDRLMDGR--TVLVIAHRLSTIKN-ANMVAVLDQGKITEYGKHEE-------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4AYT.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 : 905 -28917 -31.95 -148.29 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -31.95 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.552

(partial model without unconserved sides chains): PDB file : Tito_4AYT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AYT-query.scw PDB file : Tito_Scwrl_4AYT.pdb: