Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDKFVAFMEKHFIPVASKIGAQRHLVAIRDSFMVSMPLM-ILGALAVMINNLPIPGFQELMNSIFGGESWKGFGAAAWNGTFAILSVLIAFLLAYHLANGYRKDGVSAGVISLGSFFALGGALGMSSNGLFIAIIVGIISTEIFVRLSGNEKLIIKMPDGVPPAVAKAFASLLPAMITISAFALVAAIFAAFGVDDIVGSFYTVVQEPFMGLANSYPSALLLAFITPFLWFFGLHGANMVDPLMQTINAPAIEANVNAIAAGHSAPFIVNKPFFDSFVNLGGTGATLGLLLAIYLVGRKNKPYMVVTNLSIAPGVFNINEPTMFGLPIVLNPIMFIPFILTPMVLVSVAYFATSTGLVPAATVMPPWVTPPIIGGVLATKSIAGGVLAAVNLVLSILIYLPFVKVATIQERRKEALDA 5AZB Chain:A ((4-287)) -SSYLHF--PEFDPVIFSIGP------VALHWYGLMYLVGFIFAMWLATRRANRPG------SGWTKNEVENLLYAGFLGVF--LGGRIGYVLFYNFPQFMAD--------PLYLFRVWDG--GMSFHGGLIGVIVVMI---IFARRTK-----------------RSFFQVSDFIAPLIPFGLGAGRLGNFINGELWGR-----------VDPNFPFAMLFPGSRTEDILLLQTNPQWQSIFDTYGVLPRHPSQLYELLLEGVVLFIILNLYIRKPRPMG---AVSGLFLIGYGAFRIIVEFFRQPDAQF---------TGAWVQYISMGQILSIPMIVAGVIMMVWAYRRSP----------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5AZB.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 : 1208 -181943 -150.62 -642.91 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -150.62 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.196

(partial model without unconserved sides chains): PDB file : Tito_5AZB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AZB-query.scw PDB file : Tito_Scwrl_5AZB.pdb: