Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------------------------------------MRKKRVITCVMAASLTLGSLLPAGYATAKEDSKTTPSYEELALHYKMKSEKISSNGKLVEIEYVSGNETHKVQMNGNDHTVKVDGIEQKGLNFEYDENAANRTNYENNNLKSNEFTTQAAKPKKGYHYVGTLSGHTKAAKNALSV----TMSLVGIVPGLGWGSKAATILFSYWAKEQIPDAYYKYDLYEKGAMTDSWYQYATVQFFEDKAHKKKMGKPWTSTPAKVDLPNS------------------------------------------------------------------------------------------------------------------------- 4D7E Chain:A ((1-413)) METLLVVGAGPKALAVAAKSHVLRQLGLSAPRVIAVEAHAVGGNWLASGGWTDGRHRLGTSPEKDIGFPYHSTWARGHNREINEAMMAFSWTSFLVEHGTYAEWIDRGRPSPQHHVWAKYLQWVARKIDLELVLGKVRTIR--QGWSVEVAGATTELEADGLMITGPGQSTKALAAHP-----RVLSIAEFWDLAGKRKLPISSRAAVIGGGETAGSALDELVRHEMLTISVISPMA--------------------------SYFENSLFSDPTKWNALSIQERRDVIRRTDRGVFSVRVQESLLGDNRVHHLQGRVTRIVGQGDGVAVTLRNEMRADQVHNFDLVVDATGGQPLWFLDLFDSESADLLELAVGGPLTQQRIESSIGYDLAVTGLGAKLYLPNMAALAQGPGFPNLSCLGELSDRVLR

General information: TITO was launched using: RESULT: Template: 4D7E.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 : 874 35439 40.55 181.74 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : 40.55 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.243

(partial model without unconserved sides chains): PDB file : Tito_4D7E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4D7E-query.scw PDB file : Tito_Scwrl_4D7E.pdb: