Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQMNTQREQLIHTWLTSVLEND-QFQIAYLAGDASFRRYACIQLQNKTYMLMDAPPEKEDCVPFVTIDEFFAGHGVRVPQIVAKDL--------NQGFLLLEDFGDVLLSTLLNDETVDQYYEQSFKQLIHLQSINGAEHFLAYSYEKLLSEMQLLTDWMLPSLDIHPTAEQKKTIDDAFDFLAQAA-LAQPQVIVHRDFHSRNLMKIANEEELGVIDFQDAVIGADTYDLISITRDAYV----QWNAERVYQWFKVFYELLPASARQNRSFDQFKRDADLMAIQRHIKILGIFVRLFERDGKSGYLKDLPRVMWYLLEESRGYHELDDFMAFIHSSVMPKFIEKYGPYEVAA 2PPQ Chain:A ((6-256)) ----DITEDELRNFLTQ-YDVGSLTSYKGIAE----NSNFLLHTTKDP-LILTLYEKKNDLPFFLGLMQHLAAKGLSCPLPLPRKDGELLGELSGRPAALISFLEGMWLRKP-----EAKHCREVGKALAAMHLASEGFEIKRPNALSVDGWKVLW-DKSEERAD-EVEKGLREEIRPEIDYLAAHWPKDLPAGVIHADLFQDNVFFLGD-ELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSVRP------------------------------------------------------------------------------------------

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 : 934 -43504 -46.58 -188.33 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -46.58 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.304

(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: