Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQIYDYIVIGGGSGGIASANRAGMHGAKVLLIEANELGGTCVNVGCVPKKVMWQASTILETIERDASSYGIQADLKNVDFAGLVERREKYIDFLHGAYQRGLDSNHVEAIKGYATFIDSQTIEVNGETYRAPKILIATGGRASKMTIPGGEYAIDSNGFFELTELPKRAIVLGAGYIAAELSGVFRGLGSEVMWAYRKERPLRTFDKMLSDNLIQMYQEAGIKTYAHHIAKEITKN-NDEYTVLFENGETLTGDCVLFAGGRVPNTEKLGLENTNVELDKKGFIKVDKYQNTTDEHIFAVGDVIGKLDLTPVAIAAGRRLSERLFNGKKDSYLDYKLVPTVVFTHPPIATIGLTEEEALEKYGENELKVYRSRFTPMYFALNDYRQ-KCEMKLICVGKEERIVGLHAIGVGVDEMLQGFAVAIKMGATKEDFDNTVAIHPTGAEEFVTMR 5VDN Chain:B ((15-463)) TKHYDYLAIGGGSGGIASINRAAMYGKKCALIEAKQLGGTCVNVGCVPKKVMWHAAQIAEAIHLYGPDYGFDTTVNHFDWKKLIANRTAYIDRIHQSYERGLGNNKVDVIQGFARFVDAHTVEVNGETITADHILIATGGRPSHPDIPGAEYGIDSDGFFELDEMPKRVAVVGAGYIAVEIAGVLNGLGTETHLFVRKHAPLRTFDPLIVETLLEVMNTEGPKLHTESVPKAVIKNADGSLTLQLENGTEVTVDHLIWAIGREPATDNLNLSVTGVKTNDKGYIEVDKFQNTNVKGIYAVGDNTGVVELTPVAVAAGRRLSERLFNNKPDEHLDYSNIPTVVFSHPPIGTIGLTEPQAREKFGDDQVKVYTSSFTAMYSAVT-QHRQPCRMKLVCVGAEEKIVGIHGIGFGMDEILQGFAVAMKMGATKKDFDNTVAIHPTAAEEFVTMR

General information: TITO was launched using: RESULT: Template: 5VDN.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 : 2541 -138718 -54.59 -310.33 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.89 3D Compatibility (PKB) : -54.59 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.89 QMean score : 0.617

(partial model without unconserved sides chains): PDB file : Tito_5VDN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5VDN-query.scw PDB file : Tito_Scwrl_5VDN.pdb: