Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFGTIFNTVMIIAGS-IIGGIFKKGIKD------EYQDILMQAMGFAAVALGINAITQHLPDSKYPILFIVS-------------------------LAIGGLLGQIINL-ELRFNKLVNKFSKSNLAEGLSTAVLLFCI-----GSLSIL---GPVEAALHG-DYTYLLTNGMLDGITSIVLAST-----------FGFGIAA-AALVLFSWQG----SIYLFAQVMESAINTDLINEITIVGGILILSSGLSIL-GIK-KFKTLNLLPSL-------L-IPPVVIFVIHAFGLRF-------------- 4DVG Chain:B ((8-312)) --EVVQQKFAIVAKEMKIDNPELITIPNQWKLVQEYEKKQKKDIRIQLNAQKTGNWRNAITDPKYLADLLKTRDDMDLLNEMVVVFRSSSVSFIKTFVSVGGLA----NLMAIYKKKIEAENSNTAIDEERKCCEVLRYVFAEEDATVALIEIDGGVELLLKGMNSKRITPDNQLDILLEITLTSSMVEHPSQEGLYLGGDVCVMNAFSNLVSEGVDMKKFLSFFSLFSKSKSEKFKHASLVLINNLIDQPELEHRMDVRNSFIEIGLVNELENMKNTEWMKIDKIKDSINDFFDSWEEDKKEVESRFDDL

General information: TITO was launched using: RESULT: Template: 4DVG.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 : 719 -112188 -156.03 -503.08 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -156.03 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.149

(partial model without unconserved sides chains): PDB file : Tito_4DVG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DVG-query.scw PDB file : Tito_Scwrl_4DVG.pdb: