Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDIKKQDTRRFKEIKPKIMYYGTSTFLLTTLNEDGTTNISPMSSSWALG--H-YIILGVGLGGKAIDNLERHKECVINLPGPDLWENVERISSYSGKKSIPPLKKQIGFTYKKEKYEAAGLTPLQSKTVSPTRIKECPIQIEAEVKHIRLPEYES-SFAIVETQALHFHAEESIILDEN-HINPSKWSPLIYNFR-HYFGLGREVGKTFRSET 4Z85 Chain:A ((20-199)) -----------------GSVGPRPIALVTSLNSEGLCNAAPYSAFNYMGEDPPLFVIAVDH-KDTLKNIIEREQFVVNMVDERIAERMVLCGSDF-----------------ISEAEAVGFDLTPSTTIDVPRITDAPIAWECKLYKIIDF---SKQRSMVFGEIVAMYFREELIDEEKLRVRVDLFQPYGRLGGPNYCRTTDR---------

General information: TITO was launched using: RESULT: Template: 4Z85.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 : 831 -101220 -121.81 -632.63 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -121.81 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.416

(partial model without unconserved sides chains): PDB file : Tito_4Z85.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4Z85-query.scw PDB file : Tito_Scwrl_4Z85.pdb: