Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDVRLSDRVNAIKPSPTLAVTNKAAELKAAGKNVIGLGAGEPDFDTPQHIKDAAIEAINNGFTKYTAVDGTPGLKKAIIAKLKRDNNLDYQP-NQILVSCGGKQSFFNLALALLNKGDEVIIPAPFWVSYPDMVIIAEGTPVIVKCGEEQRFKITPEQLEAAITPNTRLVVLNSPSNPTGMIYSKAELEALAEVLRRHPQVFVASDDMYEPIRWED-EFYNIATVAPDLYDRTIVLNGVSKAYAMTGWRIGYAAGPAKIIGAMKKIQSQSTSNPTSISQVAAEAALNGPQD--VLKPMIEAFKRRHDLVVNGLNDIKGISCLPADGAFYAYANIRPLIRAKGLKSCTEFSEWLLEETGVAVVPGDAFGLG--GFMRISYATADEVLVDALARIKKAAESIEGVDAAIASIEAEKAAK 1GDE Chain:A ((3-381)) ----LSDRLELVSASEI----RKLFDIAAGMKDVISLGIGEPDFDTPQHIKEYAKEALDKGLTHYGPNIGLLELREAIAEKLKKQNGIEADPKTEIMVLLGANQAFLMGLSAFLKDGEEVLIPTPAFVSYAPAVILAGGKPVEVPTYEEDEFRLNVDELKKYVTDKTRALIINSPCNPTGAVLTKKDLEEIADFVVEH-DLIVISDEVYEHFIYDDARHYSIASL-DGMFERTITVNGFSKTFAMTGWRLGFVAAPSWIIERMVKFQMYNATCPVTFIQYAAAKALKDERSWKAVEEMRKEYDRRRKLVWKRLNEM-GLPTVKPKGAFYIF----PRIRDTGLTS-KKFSELMLKEARVAVVPGSAFGKAGEGYVRISYATAYEKLEEAMDRMER----------------------

General information: TITO was launched using: RESULT: Template: 1GDE.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 : 2235 -58956 -26.38 -158.06 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -26.38 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.631

(partial model without unconserved sides chains): PDB file : Tito_1GDE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1GDE-query.scw PDB file : Tito_Scwrl_1GDE.pdb: