Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MINIIVEHHFAE-LPKKINRITIGICNEVYRIALDDHDVIIRLSTSD-KYLRGSEVHIPEFKQLGIKVPDILASDYSQ---TRIPLCYQIQSKIEGQDLGVVIESLNQTELMGLAREIATIFSKVKTLPVTTQFGVIWGGDNDVSDSWAERMKLWIQESIKHGRLTGIMNQQFEGIAKDLYRNYETYFDSIKPTMYY-GDICSKNVMINQGVFNGLVDLDGLTQGDPLEALSRIKLSWYGTS---HGEFYYNALIKELE----LTQSEQQLITVYALLNQLSWMCENGIQFNQNTKPIVNWEKAESDKNIYLQLASDLNNK 2PPQ Chain:A ((12-281)) -LRNFLTQ-YDVGSLTSYKGIAE---NSNFLLHTTKDPLILTLYEK-KNDLPFFLGLMQHLAAKGLSCPLPLPRKDGELLGELSGRPAALISFLEGMWLRKP----E----AKHCREVGKALAAMHLASEGFEIKR--PN-ALSVDGWKVLWDKSE-ERADE------VEKGLREEIRPEIDYLAAHWPKDLPAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSVRPLSEAELEALPLLSRGSALRFFLTRL---------------------------------

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 : 1113 -13462 -12.10 -53.63 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -12.10 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.354

(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: