Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDVRLSDRVNAIKPSPTLAVTNKAAELKAAGKNVIGLGAGEPDFDTPQHIKDAAIEAINNGFTKYTAVDGTPGLKKAIIAKLKRDNNLDYQPNQILVSCGGKQSFFNLALALLNKGDEVIIPAPFWVSYPDMVIIAEGTPVIVKCGEEQRFKITPEQLEAAITPNTRLVVLNSPSNPTGMIYSKAELEALAEVLRRHPQVFVASDDMYEPIRWEDEFYNIATVAPDLYDRTIVLNGVSKAYAMTGWRIGYAAGPAKIIGAMKKIQSQSTSNPTSISQVAAEAALNGPQDVLKPMIEAFKRRHDLVVNGLNDIKGISCLPADGAFYAYANIRPLIRAKGLKSCTEFSEWLLEETGVAVVPGDAFGLGGFMRISYATADEVLVDALARIKKAAESIEGVDAAIASIEAEKAAK 1O4S Chain:B ((14-383)) ----VSRRISEIPISKTMELDAKAKALIKKGEDVINLTAGEPDFPTPEPVVEEAVRFLQKGEVKYTDPRGIYELREGIAKRIGERYKKDISPDQVVVTNGAKQALFNAFMALLDPGDEVIVFSPVWVSYIPQIILAGGTVNVVETFMSKNFQPSLEEVEGLLVGKTKAVLINSPNNPTGVVYRREFLEGLVRLAKKR-NFYIISDEVYDSLVYTDEFTSILDVS-EGFDRIVYINGFSKSHSMTGWRVGYLISSEKVATAVSKIQSHTTSCINTVAQYAALKALEVDNSY---MVQTFKERKNFVVERLKKM-GVKFVEPEGAFYLFFK----VRGDDVKFC----ERLLEEKKVALVPGSAFLKPGFVRLSFATSIERLTEALDRIE-----------------------

General information: TITO was launched using: RESULT: Template: 1O4S.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 : 2080 -228767 -109.98 -618.29 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -109.98 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.583

(partial model without unconserved sides chains): PDB file : Tito_1O4S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1O4S-query.scw PDB file : Tito_Scwrl_1O4S.pdb: