Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGSHWVYKLIVYSKLKNKLMLTYDKNEFSLPSYQPELAHVAIVGHINAFVKEHFQLKTTVLRCCRQLENIRIYEVEILEEESVQFANHVWLTLSQPSDLKKLNSDDQTILKSWIDTQRSVGIPWFHVGWRNQMERWAANVLSNSS----LT-FAQIRSWERSALFRIISDTQNYYFKAVPDVF--------NHEPLLSDYLFQHYPLYVPEIVQVE--------PNKNWYIMREIQGSLLGQT-GKIAYWRQAIEQLAVMQKQSTRHIDELKKRNCPVRPVAKVIKSYVKCSFDDLY-ESHHIS--RETYQKLNTSIPTIINICDKIEKSNIPLALEHGDFFGGNIMVQN---GQPVIYDWSDCTLSHPFLSIMVILKEVEQFFS--------EEVAQSLLNDYLEKWSGFDSKPHLIEEYNWLKVIAPVYYLTIYQTFIFPAFNDNWDKQQIIEGYITEWLTMPML 4WH3 Chain:A ((8-278)) ----------------------------------------------------------------------------------------------------------------------------------------LFGIASHFALEGAVTGIEPYGDGHINTTYLVTTDGPRYILQQMNTSIFPDTVNLMRNVELVTSTLKAQG-KETLDIVPTTSGATWAEIDGGAWRVYKFIEHTVSYNLVPNPDVFREAGSAFGDFQNFLSEFDASQLTETIA--HFHDTPHRFEDFKAALAADKLGRAAACQPEIDFYLSHADQYAVVMDGLRDGSIPLRVTHNDTKLNNILMDATTGKARAIIDLDTIMPGSMLFDFGDSIRFGASTALEDEKDLSKVHFSTELFRAYTEGFVG---------------------------------------------------------

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 : 978 -10992 -11.24 -46.77 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -11.24 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.238

(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: