Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQEKDRAVVTELLQKAGREDFIPLQENQLAGDGSSRRFYRLASGGETLIAVLPAGEEAKDRAESRAAYHIGGYLLACGTPVPAIYGWDE--------ASGGLLFQDLGNTRLQDVAHTEEGRQLYRQLVRALAGMNCRARGIDSSWC---WDSPCYDRSLMLERESGYFLRAFWQGLLGQEVPIGLAEEFSSLADAVSLYSTDFFLHRDFQSRNIMIHA-GRPSIIDFQGGRRGPLGYDLASLLYDPYV----DLDEDFRALLWEDYLAALGAQIDISREDFAKQYSLLACQRSLQIIGAFSWLSAVAKKTFFVQFIRPSLLNLEKILSAPYYQNYRVLRQTVRRGLSLYR 2PPQ Chain:A ((6-281)) --DITEDELRNFLTQYDVG--SLTSYKGIAE---N-SNFLLHTTKDPLILTLYEK-----KNDLPFFLGLMQHLAAKGLSCPLPLPRKDGELLGELSGRPAALISFLEGMWLRKP-----EAKHCREVGKALAAMHLASEGFEIKRPNALSVDGWKV-------LWDKSEERA-DE-VEKGLREEIRPEIDYLAAHWPKDLPAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSVR----PLSEAEL-EALPLLSRGSALRFFLTRL-------------------------------------------------

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 : 1114 -79462 -71.33 -312.84 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -71.33 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.319

(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: