Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MATIDLPDNLVQTLSLVLNQLQQVLPEPKQETDFTAPAFRWENQQLKAIYTPKNIYLDDLKGIERQKEKIIQNTLQFLN--------GLPANDVLLTGSRGTGKSSIVRALLTEYAPQGLRLIEIERDDLAD---------LPKIQKIIQNRPEKYIVYCDDLAFNAEDEN------YRSLKSVLDGSLQSGSTNFIIYATSNRRHLLPEFMHENTPVTKVDVPQYTELHPQEAIEEKISLSDRFGLWLSFYPMDQNLYLEIVEHYLDKANMPFNDEVRAESLRWCQMRGQRSGRAAYQFSKHWIGLNALKDLSNN 3D8B Chain:A ((79-278)) ----------------------------------------------------PPVNWEDIAGVEFAKATIKEIVVWPMLRPDIFTGLRGPPKGILLFGPPGTGKTLIGKCIASQS---GATFFSISASSLTSKWVGEGEKMVRALFAVARC-QQPAVIFIDEIDSLLSQ--ESSRRIKTEFLVQLDG----SEDRILVVGATNRPQEIDEAA-----------------------------RRRLVKRLYIPLPEASARKQIVINLMSKEQ---------------------------------------------

General information: TITO was launched using: RESULT: Template: 3D8B.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 : 709 -15896 -22.42 -101.25 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -22.42 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.544

(partial model without unconserved sides chains): PDB file : Tito_3D8B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3D8B-query.scw PDB file : Tito_Scwrl_3D8B.pdb: