Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEAARETRLPCAAMAILTPLSLADARRIGALYGL--EIADVRGLLAGSVNSNFALTLADGRGQVFLRVYEEQQ---L-GAASREARMLEHLAAGGVATPQPLRRRDAAPSDTDAASDGAAFVAEHAGKPVALFPWVGGASLCQARVTPDATRRVGAALARVHLVGASFEGANASR--FDLDGLDQRLRGLRSPAGARSTAPAPALPPDVAAAVDELTGRLERIRAAA---PRTPGPQTLIHGDLFRDNVLWEA--GEISALLDFESASRGSAAFDLAVTMLAWCFGD----------DLDPDLVSALAAGYTA--VRPLSTEERDRLFHESVIAALRFSITRITDFELRPKGSGVYKDFRRFLARQRTLERLGPEGLLALLGV 4WH3 Chain:A ((4-300)) --------------------SNEVLFGIASHFALEGAVTGIEPYGDGHINTTYLVTTD--GPRYILQQMNTSIFPDTVNLMRNVELVTSTLKAQGKETLDIVPTT-----------SG-ATWAEIDGGAWRVYKFIEHTVSYNLVPNPDVFREAGSAFGDFQNFLSEFDASQLTETIAHFHDTPHRFEDFKAALAADKL----GRAAACQPEIDFYLSHADQYAVVMDGLRDGSIPLRVTHNDTKLNNILMDATTGKARAIIDLDTIMPGSMLFDFGDSIRFGASTALEDEKDLSKVHFSTELFRAYTEGFVGELRGSITAREAELLPFSGNLLT------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4WH3.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 : 1161 -7228 -6.23 -26.57 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -6.23 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.305

(partial model without unconserved sides chains): PDB file : Tito_4WH3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4wh3-query.scw PDB file : Tito_Scwrl_4WH3.pdb: