Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDQFLMSQRPGAPVSPPAPRSVRSATPTISPQPQPQPQPQPQPQPPARPGSLATALRQALAAPDDERGERISQLGLRPLTGGLNNYAFRWGTPSEGEVCVKAYPSGDRWRAEREWRALSLLARRSVPWAPRPLWWDPHGSPPIVIMTMLPGR-EVRHLDSPRERIAALDGLVDTLRAITAVPLEAGFETLVRVESIQFCLETLSDTWPRRLARVADSTLSADLRHLLRRWSNSGDPEILGRPAPRVFSRGDGNLRNWLWDGAVCRCVDFEYSGWSDRVFDAADLVEHPYREEIDDALWPGVIDALGI---TDADRPRFDAARRACAMRWAAVLWEKRGRQLGEFLVQLDRVRLLTRDL 3DXQ Chain:B ((23-259)) -----------------------------------------------------------------------------LERLGGLTNLVFRA-----GDLCLRIP------NRANEAVAAREAAKA--GVSPEVLHVDP--ATGVMVTRYIAGAQTMSPE-KFKTRPGSPARAGEAFRKLHGSGAVFPFR-FELFAMIDDYLKVLST-KN----V-TLPAGYHDVVREAGGVRSA----LAAHPLPLAACHCDPLCENFLDTGERMWIVDWEYSGMNDPLWDLGDLSVEGKFN---ANQDEELMRAYFGGEARPAERGRVVIYKAMCDLLWTLWGLI-----------------------

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 : 1055 -35907 -34.04 -159.59 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : -34.04 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.265

(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: