Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRAFEKIPAFQQWQKVEAIHRGWSTDLKFKVTKNQETFLLRIFQQEELLAKQQEYQFIKKVAALGFPSSKPFLCAPIPESEQGYMLLTYLEGE-DLSDVLPALSPKRQLNLGVEAGRYLNKIHKLLLPERISQREIAQNLYEKKQSQLNKYKESQ-FCMPYQQPIISYLEKQLPL--LQQRPVVYQHGDFHVGNFIYLPTRQVGVIDFNRWDFGDPYEEFYKLQFFSRNVSPLFAYGQLQGYFAGKVPTLFWQFQKLYTFHAGLYSLVWALSFGEKEIRTMEQQYQQLLEDYNCGELLVPKWFSTIQRKGLRF 3DXQ Chain:B ((10-262)) ---LAAIPMLAGYTGPLERLGGLTNL-VFRA----GDLCLRIP------NRANEAVAAREAAKAGVS-PEVLHVDP----ATGVMVTRYIAGAQTMSPEK----FKTRPGSPARAGEAFRKLHGSGAVFPFRF-ELFA----MIDDYLKVLSTKNVTLPAGYHDVVREAGGVRSALAAHPLPLAACHCDPLCENFLDTG-ERMWIVDWEYSGMNDPLWDLGDLSVE-GKFNANQDEELMRAYFGGEARPAERGRVVIYKAMCDLLWTLWGLIQLA--------------------------------------

General information: TITO was launched using: RESULT: Template: 3DXQ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1133 -18091 -15.97 -75.07 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -15.97 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.310

(partial model without unconserved sides chains): PDB file : Tito_3DXQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3dxq-query.scw PDB file : Tito_Scwrl_3DXQ.pdb: