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 3E2R Chain:A ((168-482)) ------------------------RLMGEQFVTGETIAEALANARKLEEKGFRYSYDMLGEAALTAADAQAYMVSYQQAIHAIGKASNGRGIYEGPGISIKLSALHPRYSRAQYDRVMEEL-YPRLKSLTLLARQYDIGINIDAEESDRLEISLDLLEKLCFEPELAGWNGIGFVIQAYQKRCPLVIDYLIDLATRSRRRLMIRLVKGAYWDSEIKRAQMDGLEGYPVYTRKVYTDVSYLACAKKLLAVPNLIYPQFATHNAHTLAAIYQLAGQNYYPG-QYEFQCLHGMGEPLYEQVTGKVADGKLNRPCRISAPVGTHETLLAYLVRRLLENGANTSFV-------

General information: TITO was launched using: RESULT: Template: 3E2R.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 : 1365 -155128 -113.65 -576.68 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -113.65 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.444

(partial model without unconserved sides chains): PDB file : Tito_3E2R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3E2R-query.scw PDB file : Tito_Scwrl_3E2R.pdb: