Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKAVILCGGKGTRMSEVTNDIPKPLAMIGGKP-ILWHIMKIYQYYGVNEFILLLGYKGEKIKEYFLDYEWKHNSLTLDSSTGEVQMLGQPETWKITF----LETGVDTLTAGRILQAKDYIG---DETFLLTYGDGLANINLFHLISYHQTKGAAATVTGID----KVSQFGTLTVE-DGMAKTFSEKTSS---------DGIINGGFFVLSPKVFD-YLPKDG--NTMFEDEPLKNLAKDGELAVY-----------RHYGFWTAIDTYKNLLEVNKMWNQGQQVWKVW 3BRK Chain:X ((13-287)) AMAYVLAGGRGSRLKELTDRRAKPAVYFGGKARIIDFALSNALNSGIRRIGVATQYKAHSLIRHLQRG------WDFFR---------PERNESFDILPAS----WYEGTADAVYQNIDIIEPYAPEYMVILAGDHIYKMDYEYMLQQHVDSGADVTIGCLEVPRMEATGFGVMHVNEKDEIIDFIEKPADPPGIPGNEGFALASMGIYVFHTKFLMEAVRRDAAD-------IIPYIVEHGKAVAHRFADSCVRSDFEHEPYWRDVGTIDAYWQANIDLTDVV------

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 : 1118 -182410 -163.16 -821.67 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain X : 0.68 3D Compatibility (PKB) : -163.16 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.503

(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: