Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKQCVAMLLAGGKGSRLSGLTKNMAKPAVSFGGKYR-IIDFTLSNCSNSGIDTVGILTQYQPLELNSYIGIGSAWDLDRYNGGVTVLPPYAESSEVKWYKGTASSIYENLNYLNQYDPEYVLILSGDHIYKMDYGKMLDYHIEKKADVTISVIEVGWEEASRFGIMKANPDGTITHFDEKPKFP-------KSNLASMGIYIFNWPLLKQYLEMDDQNPYSSHDFGKDIIPLLLEEKKKLSA-----------YPFKGYWKDVGTVQSLWEANMDLLKEDSELKLFERKWKIYSVNPNQPPQFIS------SDAQVQDSLVNEGCVV-YGNVSHSVLFQGVTVGKHTTVTSSVIMPDVTIGEHVVIENAIVPNGMVLPDGAVIRSEKDIEEVLLVSEEFVEKELI 3BRK Chain:X ((9-396)) LARDAMAYVLAGGRGSRLKELTDRRAKPAVYFGGK-ARIIDFALSNALNSGIRRIGVATQYKAHSLIRHLQRGWDFFRPERNESFDILPAS-------WYEGTADAVYQNIDIIEPYAPEYMVILAGDHIYKMDYEYMLQQHVDSGADVTIGCLEVPRMEATGFGVMHVNEKDEIIDFIEKPADPPGIPGNEGFALASMGIYVFHTKFLMEAVRRDAAD----------IIPYIVEHG-KAVAHRFADSCVRSDFEHEPYWRDVGTIDAYWQANIDLTDVVPDLDIYDKSWPIWTYAEITPPAKFVHDDEDRRGSAV-SSVVSGDCIISGAALNRSLLFTGVRANSYSRLENAVVLPSVKIGRHAQLSNVVIDHGVVIPEGLIVGEDPELD---------------

General information: TITO was launched using: RESULT: Template: 3BRK.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 1971 -35899 -18.21 -104.05 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain X : 0.79 3D Compatibility (PKB) : -18.21 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.465

(partial model without unconserved sides chains): PDB file : Tito_3BRK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BRK-query.scw PDB file : Tito_Scwrl_3BRK.pdb: