Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNLEKWIEEKFNT-TKYTLEKTDKGISNHNYILTINDTKYMIRVPKKNHESLGLQHEHEKKILTL--VSDLDVPTVLFDEKEGIKVTHYIEDV-KTFNECK--DKDKFARCANLMKSLHTKKAPL-FIFNPFGKIEFYKSQIKECIV----SFPNEENFLEA---LKKE-YKPNTLCHNDFVQGNILYSDTKDYLIDYEYAAKNDYRFDIASFFSENNIHYIDQRDQFYQTYFDGEIDPMIDVQVQAFERMEDILWGYWANMLYEQRG-EQIYFDIAKDKEKHYRG 3DXQ Chain:B ((5-282)) -EARAKLAAIPMLAGYTGPLERLGGLTNLVFRA----GDLCLRIP---------NRANEAVAAREAAKAGVSPEVLHVDPATGVMVTRYIAGAQTMSPEKFKTRPGSPARAGEAFRKLHGSGAVFPFRFELFAMIDDYLKVLSTKNVTLPAGYHDVVREAGGVRSALAAHPLPLAACHCDPLCENFLDTGERMWIVDWEYSGMNDPLWDLGDLSVEGKFNANQD-EELMRAYFGGEARPAERGRVVIYKAMCDLLWTLWGLIQLANDNPVDDFRAYADGRFARCK-

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 : 1191 20481 17.20 80.63 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.67 3D Compatibility (PKB) : 17.20 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.328

(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: