Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKALITYASMSGNTEDIAFIIKDTLQEYELDIDCVEINDMDASCLT-SYDYVLIGTYTWGDGDLPYEAEDF---FEEVKQIQLNGLKTACFGSGDYSYPKFCEAVNLFNVMLQEAGAAVYQETLKIELAPETDEDVESCRAFARGFLAWADYMNKEKIHVS 4HEQ Chain:B ((2-140)) -PKALIVYGSTTGNTEGVAEAIAKTLNSEGMETTVVNVADVTAPGLAEGYDVVLLGCSTWGDDEIELQ-EDFVPLYEDLDRAGLKDKKVGVFGCGDSSYTYFCGAVDVIEKKAEELGATLVASSLKIDGEPDSAEVLDWAR---------------------

General information: TITO was launched using: RESULT: Template: 4HEQ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 723 -91779 -126.94 -679.84 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.77 3D Compatibility (PKB) : -126.94 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.544

(partial model without unconserved sides chains): PDB file : Tito_4HEQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HEQ-query.scw PDB file : Tito_Scwrl_4HEQ.pdb: