Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRVLVIMDPIETVNLKKDSTMAMLWAASRRGHELGYALQQDLYIDQGKAYGLISPLKVFEDYNHYYELGEKKKESIAAYDVVLMRKDPPFDMNFVYTTYVLEQAEREGSWIINKPQSLRDCNEKLFATQFPE----LQVPTLVTSQQSLIREFITEH-GDVIVKPLDGMGGMGIFRLYQDGVNIGSTLEMLTE----LGTRPIMAQRYIPEIVEGDKRILMVNGEPIPYCLARIPQNGEVRGNLAAGGLGQARPLTENDKLIAAKVGPFLREKGLVFVGLDVIGN----YVTEINVTSPTCIREIDAQFGTSIADDLFDVLEAGRPA 3VPD Chain:B ((1-280)) -MLAILYDR---I---RPDERMLFERAEALGLPYKKVYVPALPMVLG----------------ERPE-------ALEGVTVALERCVSQS-----RGLAAARYLTALGIPVVNRPEVIEACGDKWATSVALAKAGLPQPKTALATDREEALRLMEAFGYPVVLKPVIGSWGRLLAKVTDRAA-AEALLEHKEVLGGFQH-QLFYIQEYVEKP-GRDIRVFVVGERAIA-AIYR---------------QAENCPLTEEIARLSVGAAEAV---GGGVVAVDLFESERGLLVNEVNHT-ME-FKNSVHTTGVDIPGEILRYAWEVAR-

General information: TITO was launched using: RESULT: Template: 3VPD.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 : 1276 -49020 -38.42 -192.99 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : -38.42 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.363

(partial model without unconserved sides chains): PDB file : Tito_3VPD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VPD-query.scw PDB file : Tito_Scwrl_3VPD.pdb: