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:B ((79-270)) ----------------------------------------------------PPVNWEDIAGVEFAKATIKEIVVWPMLRPDIFTGLRGPPKGILLFGPPGTGKTLIGKCIASQS---GATFFSISASSLT-EGEKMVRALFAVARC-QQPAVIFIDEIDSLLS---SRRIKTEFLVQLDGA----EDRILVVGATNRPQEIDEAA-----------------------------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 B - contact count / total energy / energy per contact / energy per residue : 745 -14286 -19.18 -92.16 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : -19.18 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.532

(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: