Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDIKKQDTRRFKEIKPKIMYYGTSTFLLTTLNEDGTTNISPMSSSWALG---HYIILGVGLGG----KAIDNLERHKECVINLPGPDLWENVERISSYSGKKSIPPLKKQIGFTYKKEKYEAAGLTPLQSKTVSPTRIKECPIQIEAEVKHIRLPEYESS------FAIVETQALHFHAEESIILDENHINPSKWSPLIYNFR-HYFGLGREVGKTFRSET 3BPK Chain:A ((25-200)) -------------------IIPRPVAFVTSVTKEGVLNGAPYSYFNIVAANPPLISVSVQRKAGERKDTSRNAIEKGEFVVHISDESYVAAINETAA----N--------------ESEIELAKLTPIESEVISVPGVKEANIRMECVLERAIPL---GGTEDSPACDLLIGRVVRFHVAEHLYE-KGRIHAEGLKPISRLAGHNYAKLGEQF--------

General information: TITO was launched using: RESULT: Template: 3BPK.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 : 813 -72364 -89.01 -458.00 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -89.01 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.411

(partial model without unconserved sides chains): PDB file : Tito_3BPK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BPK-query.scw PDB file : Tito_Scwrl_3BPK.pdb: