Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHPKSPTYSAPDPGLWPYLILDKVCAQVDADASQARLIKLTNNAVFALPNSHLVVRIAGSAAVGRSAGKVVDVARWLEHHDMPTVRLATDVPQPLDIE-GHAVSLWELVSDT-G-R-------SATARDIGHILRLFHSLNDAPDLPPWNTLGLIRSRLESAD---VLSSAEHGFLVETADSIAADLDEVDFVLAPGPIHGDPFVGNLIPGPDGPVLCDFDSTCVGPREWDLTPADVGRLRFRYPGDYHGQLVEAYGV---DVLTWAGFPVFRRLRELKLVCSVLPVLATNPSVREQWRHRFDTFRSGDLEARWTTYR 3DXQ Chain:B ((23-265)) ----------------------------------LERLGGLTNLVFRA-G-DLCLRIP-------NRANEAVAAREAAKAGVS-PE-------VLHVDPATGVMVTRYIAGAQTMSPEKFKTRPGSPARAGEAFRKLHGSGAVFP-FRFELFAMIDDYLKVLSTKNVTLPAGYHDVVREAGGVRSALA--AHPLPLAACHCDPLCENFLDTGERMWIVDWEYSGMNDPLWDLGDLSVEG---KFNANQDEELMRAYFGGEARPAERGRVVIYKAMCDLLWTLWGLIQLANDN--------------------------

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 : 1002 -16729 -16.70 -76.39 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.68 3D Compatibility (PKB) : -16.70 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.236

(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: