Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIATEAVMKQEVYQVNGMNLWYGQHHALKNINLSIYENEVTAIIGPSGCGKSTFIKTLNLMIQMTPNVKLAGELNYNGSNILKDKVDIVDLRKNIGMVFQKGNPFPQSIFDNVAYGPRVHGTKNKKKLQEIVEKSLKDVALWDEVKDRLHT----SALSLSGGQQQRLCIARALATNPDILLMDEPTSALDPISTRKIEELILELKDKYTIVIVTHNMQQAARVSDQTAFFYMGELVECDNTNKMFSNPKDQRTLDYISGKFG 4AYT Chain:A ((360-567)) ----------------------------FQDFSLSIPSGSVTALVGPSGSGKST---VLSLLLRLYDPA--SGTISLDGHDI--RQLNPVWLRSKIGTVSQEPILFSCSIAENIAYGADDPSSVTAEEIQRVAEVA-NAVAFIRNFPQGFNTVVGEKGVLLSGGQKQRIAIARALLKNPKILLLDEATSALDAENEYLVQEALDRLMDGRTVLVIAHRL-STIKNANMVAVLDQGKITEYGKHEE-------------------

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 : 973 -34351 -35.30 -168.39 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -35.30 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.517

(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: