Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSVVVVGTQWGDEGKGKITDFLSENAEVIARYQGGDNAGHTI-KFNGVTYKLHLIPSGIFYKDKISVIGNGVVVNPKSLVKELAYLHEKGVETSN-LRISDRAHVILPYHIKLDQLQEDAKGENKIGTTIKGIGPAYMDKAARVGIRIADLLDKEIFEERLRLNLDDKNRQFVKMFDSEPLDFDDIFEEYYEYGQQIKQYVTDTSVILNDALDAGKRVLFEGAQGVMLDIDQGTYPFVTSSNPVAGGVTIGSGVGPSKINKVVGVCKAYTSRVGDGPFPTELFDETGEQIREVGREYGTTTGRPRRVGWFDSVVMRHSKRVSGITNLSLNSIDVLSGLETVKICTAYEL-DGELIYHYPASLKELNRCKPIYEELPGWSEDITGCKTLAELPENARNYVRRISELVGVRISTFSVGPDRTQTNILESVWAQI 1DJ2 Chain:B ((24-437)) -----VLGCQWGDEGKGKLVDILAQHFDIVARCQGGANAGHTIYNSEGKKFALHLVPSGILNEDTTCVIGNGVVVHLPGLFKEIDGLESNGVSCKGRILVSDRAHLLFDFHQEVDGLRESELAKSFIGTTKRGIGPAYSSKVIRNGIRVGDLRHMDTLPQKLDLLLSDAAARF-QGFKYTPEMLREEVEAYKRYADRLEPYITDTVHFINDSISQKKKVLVEGGQATMLDIDFGTYPFVTSSSPSAGGICTGLGIAPSVVGDLIGVVKAYTTRVGSGPFPTENLGTGGDLLRLAGQEFGTTTGRPRRCGWLDIVALKFSCQINGFASLNLTKLDVLSDLNEIQLGVAYKRSDGTPVKSFPGDLRLLEELHVEYEVLPGWKSDISSVRNYSDLPKAAQQYVERIEELVGVPIHYIGIGPGR-------------

General information: TITO was launched using: RESULT: Template: 1DJ2.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 : 2361 20488 8.68 49.85 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : 8.68 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.436

(partial model without unconserved sides chains): PDB file : Tito_1DJ2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1DJ2-query.scw PDB file : Tito_Scwrl_1DJ2.pdb: