Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------MNLIRIELRKMKMGWYIRGALIANVIIMGFMWLISYSEKADGGVSFQST-DEAFLIIGTFVRAVFIVFGAVLIVKLVISEYKN-KTILVMFTYPISRKKLLTAKLMIAGGLTFITILLSN-ILIAAGFFWLNSICHFIPGELTSEIISQQAVKMAVFAFGAAGTSLV-PIFFGMRRHSVPATIISSVVIVMLISSTSPGFSISSVVYIPLSLAAFGLFFSYMAIRNADKQDA 3ZGI Chain:A ((24-197)) IAKSETKVYTGEGVDSVYRVPIYYKLKVTNDGSKLTFTYTVTYVNPKTNDLGNISSMRPGYSIYNS------------------GTSTQTMLTLGSDLGKPSGVKNYITD----KNGRQVLSYNTSTMTTQGSGYTW--------------------------------GNGAQMNGFFAKKGYGLTSSWTVP------ITGTDTSFTFT-----PYAARTDRIGINYFNGGGKVVESS

General information: TITO was launched using: RESULT: Template: 3ZGI.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 : 832 -69265 -83.25 -424.94 target 2D structure prediction score : 0.33 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -83.25 2D Compatibility (Sec. Struct. Predict.) : 0.33 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.211

(partial model without unconserved sides chains): PDB file : Tito_3ZGI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ZGI-query.scw PDB file : Tito_Scwrl_3ZGI.pdb: