Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKALITYASMSGNTEDIAFIIKDTLQEYELDIDCVEINDMD-ASCLTSYDYVLIGTYTWGDGDLPYEAEDFFEEVKQ---IQLNGLKTACFGSGDYSYPKFCEAVNLFNVMLQEAGAAVYQETLKIELAPETDEDVESCRAFARGFLAWADYMNKEKIHVS 4HEQ Chain:A ((2-145)) -PKALIVYGSTTGNTEGVAEAIAKTLNSEGMETTVVNVADVTAPGLAEGYDVVLLGCSTWG-DDEIELQEDFVPLYEDLDRAGLKDKKVGVFGCGDSSYTYFCGAVDVIEKKAEELGATLVASSLKIDGEP----DSAEVLDWAREVLAR------------

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 A - contact count / total energy / energy per contact / energy per residue : 755 -104568 -138.50 -746.91 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -138.50 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.518

(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: