Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIRDVNKIILHKKDSILKALELLDLYALRIVLVVDDHNHLIGSITDGDIRRGLLKGQDVHASVETIMHTTPYSIEEGSLNNRQIFEIMREKSYLALPVIKNNQLVNIITLDDLIRKKRKENPVFIMAGGFGTRLRPLTDTCPKPMLPVGGKP-LLETIISSFKNQGFYKFYISTHYLPEVINEYFGDGEKL-------GV-----QIQYVHETDPLGTGGALSLLPASDI----KLPFIVINGDVLTNMNFEKLLEFHEKRDAIATMCVREF--QYQIPYGVVNSE-DHVIQSMTEKPSY---------FFDINTGIYVISPELLP-EVN-A-Q-FIGMPTILEQQMEKQNKVLS----------YPLHEYWLDIGHMEDYNRAQRDIINLDFGKF 3BRK Chain:X ((9-286)) --------------------------------------------------------------------------------------------------------------------LARDAMAYVLAGGRGSRLKELTDRRAKPAVYFGGKARIIDFALSNALNSGIRRIGVATQYKAHSLIRHLQRGWDFFRPERNESFDILPAS-------WYEGTADAVYQNID-IIEPYAPEYMVILAGDHIYKMDYEYMLQQHVDSGADVTIGCLEVPRMEATGFGVMHVNEKDEIIDFIEKPADPPGIPGNEGFALASMGIYVFHTKFLMEAVRRDAAD------IIPYIVEHGKAVAHRFADSCVRSDFEHEPYWRDVGTIDAYWQANIDLTDV-----

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 : 1117 -17697 -15.84 -81.18 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain X : 0.63 3D Compatibility (PKB) : -15.84 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.448

(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: