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:A ((1-280)) -MLAILYDR---I---RPDERMLFERAEALGLPYKKVYVPALPMVLG----------------ERPE-------ALEGVTVALERCVSQS-----RGLAAARYLTALGIPVVNRPEVIEACGDKWATSVALAKAGLPQPKTALATDREEALRLMEAFGYPVVLKPVIGSWGRLLAKVTDRAA-AEALLEHKEVLGGFQH-QLFYIQEYVEKP-GRDIRVFVVGERAIA-AIYRRS--AHWITNTARGGQAENCPLTEEIARLSVGAAEAV---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 A - contact count / total energy / energy per contact / energy per residue : 1364 -45979 -33.71 -172.21 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -33.71 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.368

(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: