Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKEKNVILTARDIVVEFDVRDKVLTAIRGVSLELVEGEVLALVGESGSGKSVLTKTFTGMLEENGRIAQGSIDYRGQDLTALSSHKDWEQIRGAKIATIFQDPMTSLDPIKTIGSQITEVIVKHQGKTAKEAKELAIDYMNKVG-IPDADRRFN----EYPFQYSGGMRQRIVIAIALACRPDVLICDEPTTALDVTIQAQIIDLLKSLQNEYHFTTIFITHDLGVVASIADKVAVMYAGEIVEYGTVEEVFYDPRHPYTWSLLSSLPQLADDKGDLYSIPGTPPSLYTDLKGDAFALRSDYAMQIDFEQKAPQFSVSETHWAKTWLLHEDAPKVEKPAVIANLHDKIREKMGFAHLAD 4AYW Chain:A ((395-598)) -------------------------------SLSIPSGSVTALVGPSGSGKSTVLSLLLRLYDP----ASGTISLDGHDIRQL--NPVWLR---SKIGTVSQEPILF---SCSIAENIAYGADDPSSVTAEEIQRVA-EVANAVAFIRNFPQGFNTVVGEKGVLLSGGQKQRIAIARALLKNPKILLLDE----LDAENEYLVQEALDRLMDGR--TVLVIAHHLSTIKN-ANMVAVLDQGKITEYGKHEE-------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4AYW.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 : 884 -27614 -31.24 -141.61 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -31.24 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.590

(partial model without unconserved sides chains): PDB file : Tito_4AYW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AYW-query.scw PDB file : Tito_Scwrl_4AYW.pdb: