Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSPIQEQVQKEKRSNIPSISEMKVIPVAGHDSMLLNLSGAHSPFFTRNIVILTDSSGNQGVGEVPGGE-HIRRTLELSEPLVVGKSIGAYQAILQTVRKQFGDQDRGGRGNQTFDLRTTVHAV----TALEAALLDLLGKFLQEPVAALLGEGKQRDEVKMLGYLFYIGDRNRTTLPYQSDEQSDCAWFRLRHEEALTPEAIVRLAESAQERYGFQDFKLKGGVLRGEEEIEAVTALSKRFPEARITLDPNGAWSLEEAIALCKGKQDVLAYAEDPCGDENGYSAREVMAEFRRATGLPTATNMIATDWREMGHAIQLHAVDIPLADPHFWT-MQGSVRVAQMCHDWGLTWGSHSNNHFDISLAMFTHVAAAAPGRITAIDTHWIWQDGQRLTKQPFEISSGCVKVPDKPGLGVDIDMEQVEKAHEIYRKMNLGARNDAIPMQFLISNWEFDRKRPCLVR 3VDG Chain:A ((30-427)) -------------------ITGARVTPVAFADPPLLNTVGVHQPYALRAVIQLDTDAGLTGLGETYADTVHLER-LQAAAHAIVGRSVFSTNVIRALISDALGG-DRTGDGSGLAGMITSASVVDRVFSPFEVACLDVQGQVTGRPVSDLLG-GAVRDAVPFSAYLFYKWAAHPGAEPD--------GW-----GAALDPDGIVAQARRMIDEYGFSAIKLKGGVFAPEEEMAAVEALRAAFPDHPLRLDPNAAWTPQTSVKVAAGLEGVLEYLEDPTPGLDG------MAEVAAQAPMPLATNMCVVAFDQLPAAVAKNSVQVVLSDHHYWGGLQRSRLLAGICDTFGLGLSMHSNSHLGISLAAMVHLAAATPNLTYACDTHWPWRHEDVVAPGALNFCDGEVQVPATPGLGVEIDEDALAALHEQYLRCGIRDRDD----------------------

General information: TITO was launched using: RESULT: Template: 3VDG.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 : 2355 -212175 -90.10 -541.26 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -90.10 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.551

(partial model without unconserved sides chains): PDB file : Tito_3VDG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VDG-query.scw PDB file : Tito_Scwrl_3VDG.pdb: