Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIIEMRDVVKKYDNGTTALRGVSVSVQPGEFAYIVGPSGAGKSTFIRSLYREVKIDKGSLSVAGFNLVKIKKKDVPLLRRSVGVVFQDYKLLPKKTVYENIAYAMEVIGENRRNIKRRVMEVLDLVGLKHKVRSFPNE-----------LSGGEQQRIAIARAIVNNPKVLIADEPTGNLDPDNSWEIMNLLERINLQGTTILMATHNSQIVNTLRHRVIAIENGRVVRDESKG---EYGYDD 4AYX Chain:A ((364-563)) -----------------------SLSIPSGSVTALVGPSGSGKSTVLSLLLRLYDPASGTISLDGHD---IRQLNPVWLRSKIGTVSQE-PILFSCSIAENIAYGADDPSSVTAEEIQRVAEVANAVAF---IRNFPQGFNTVVGEKGVLLSGGQKQRIAIARALLKNPKILLLDEATSALDAENEYLVQEALDRL-MDGRTVLV----------IAHRLSTIKNANMVAVLDQGKITEYG---

General information: TITO was launched using: RESULT: Template: 4AYX.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 : 831 -28717 -34.56 -154.39 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -34.56 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.557

(partial model without unconserved sides chains): PDB file : Tito_4AYX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AYX-query.scw PDB file : Tito_Scwrl_4AYX.pdb: