Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVSDETHAYWLEAAHALLGD-A-SAEILAGDSEVATLLLTLTDRRQVVMKAVRAASEKRANLFFQWEALMLLSAEPDFPGPQPVSRHS--L---SDETEVFVLGYVPGRHPAFESDEDFRVFGATLARFHKISKGKRLS-G----ATNWDLHRVARHYENPLLL-QLLSDQERTIVAAALDRFGPQFQAQIDEGVWTGLVHSDSHRHNVVIDG-ARGSLIDFGECGFGALFWDLGVAVADSAVD-APERGEVCRQNLVAGYCTVTPEAEPIVDKTLPVFEAMRSLEVITWPVSDWSPERLAGDKEEARDNIEVSVRHLEALLDSP 2PPQ Chain:A ((14-288)) -----------NFLTQYDVGSLTSYKGIAE---NSNFLLHTT-KDPLILTLYEK----KNDLPFFLGLMQHLAAK-GLSCPLPLPRKDGELLGELSGRPAALISFLEGMWLRKPEAKHCREVGKALAAMHLASEGFEIKRPNALSVDGWKV-----LWDKSEERADEVEKGLREEIRPEIDYLAAH---WPKDLPA-GVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSVRPLSEAEL-EALPLLSRGSALRFFLTRLYDWLTTP--------------------------

General information: TITO was launched using: RESULT: Template: 2PPQ.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 : 1152 -3541 -3.07 -13.94 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -3.07 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.279

(partial model without unconserved sides chains): PDB file : Tito_2PPQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ppq-query.scw PDB file : Tito_Scwrl_2PPQ.pdb: