Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIGTEKVTALKAKHQSKSSTGLSWFERIGYGFGDMSYNIIFQFVNAYLLFYYTDVGGIQPAVIATLFLVVRVLDAIFDPIMGLILDKTNTRWGKARPYLLWVAFPFALFTFLCFTTPHFGETGNMVYAYVTYILLGMSFSMQTIPVNSLTGRMTNSVEERTVLTTTRMILVYIGILLSISCATPLATAIGGEDQAFGFQMTALIYAAVSIVLNLFSFFTVRERIQPKKR-KKQGIKKTLSV-LFKNKPLLMLISSFLAFAIGFNIKLSTMVYYFTYNVNHKE-FV---FMGTVLFFGAALISNLFIPFFSEKWGRKQVMIITAALSLIS-YAGLHFTPYSSIPLIFIWLF-ASGFFTTPLNTLAWGMVADCVDYAEWKTGIRADGVVISSMSFINKLGVALAGSFSAIYLGIAGYVANTDQTVASLNAIKNMNALIPGFFILLSIILIAFYPLTEKRYKHIISELEQRSAR 3WDO Chain:A ((16-367)) ----------------------------GLGTVFSLRMLGMFMVLPVLTTYGMALQGASEALIGIAIGIYGLTQAVFQIPFGLLSDR----IGRKPLIV-GGLAVFAAGSVIAALSDS------IWGIILGRALQGSGA--IAAAVMALLSDLTRE-QNRTKAMAFIGVSFGITFAIAMVLGPIITH-------KLGLHALFWMIAILATTGIALTIWVVPNSSTHVLNRESGMVKGS-FSKVLAEPRLLKLNFGIMCLHMLLMSTFVALPGQLADA-GFPAAEHWKVYLATMLIAFGSVVPFIIYAEVKRKMK--QVFVFCVGLIVVAEIVLWNA-QTQF-W-QLVVGVQLFFVAFNLMEALLPSLISKESPA-------GYKGTAMGVYSTSQFLGVAIGGSLGGWIDGMFDG--------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3WDO.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 : 1681 -269125 -160.10 -782.34 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -160.10 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.284

(partial model without unconserved sides chains): PDB file : Tito_3WDO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WDO-query.scw PDB file : Tito_Scwrl_3WDO.pdb: