Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLRHVFLFLSQNKTLTKFAKAYGTRLGARRFVAGDTIESAVKTVKRLNRSGLCATIDYLGEYAASEKEANQVAEECKKAIQAIAEHQL------DSELSLKLTSIGLDLS--------EELALTHLRAILSVAKQYDVAVTIDMEDYSHYEQTLSIYRQCKQE-----FEKLGTVIQAYLYRAAEDIKKMRDLKPN------LRLVKGAYKES-----------AAVAFPDKRGTDLHFQSLIKLQLLSGN--YTAVATHDDDIIKFTKQLVAEHRIPASQFEFQMLYGIRPERQKEL------AKEGYRMRVYVPYGT--DWFSYFMRRIAERPANAAFVLKGILKK 4O8A Chain:A ((253-567)) ------------------------RLMGEQFVTGETIAEALANARKLEEKGFRYSYDMLGEAALTAADAQAYMVSYQQAIHAIGKASNGRGIYEGPGISIKLSALHPRYSRAQYDRVMEEL-YPRLKSLTLLARQYDIGINIDAEESDRLEISLDLLEKLCFEPELAGWNGIGFVIQAYQKRCPLVIDYLIDLATRSRRRLMIRLVKGAYWDSEIKRAQMDGLEGYPVYTRKVYTDVSYLACAKKLLAVPNLIYPQFATHNAHTLAAIYQLAGQNYYPG-QYEFQCLHGMGEPLYEQVTGKVADGKLNRPCRIYAPVGTHETLLAYLVRRLLENGANTSFV-------

General information: TITO was launched using: RESULT: Template: 4O8A.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 : 1362 -159151 -116.85 -591.64 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -116.85 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.446

(partial model without unconserved sides chains): PDB file : Tito_4O8A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4O8A-query.scw PDB file : Tito_Scwrl_4O8A.pdb: