Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLVVPAEHPETVHNETDRVERILVVDDDVRLRTLLQRFLEDKGFVVKTAHDASQMDRLLQRELFSLIVLDFMLPVEDGLSICRRLRQSNIDTPIIMLTARGSDSDRIAGLEAGADDYLPKPFNPNELLARIRAVLRRQVREVPGAPSQQVEVVSFGPWSLDLSTRTLTREGQIVTLTTGEFAVLKALVQHPREPLTRDKLMNLARGREWGAMERSIDVQVSRLRRLIEDNPARARYIQTVWGVGYVFVPDGAE 1KGS Chain:A ((3-224)) --------------------VRVLVVEDERDLADLITEALKKEMFTVDVCYDGEEGMYMALNEPFDVVILDIMLPVHDGWEILKSMRESGVNTPVLMLTALSDVEYRVKGLNMGADDYLPKPFDLRELIARVRALIRRKSESKST-----K--LVCGDLILDTATKKAYRGSKEIDLTKKEYQILEYLVMNKNRVVTKEELQEHLW-----VFSDVLRSHIKNLRKKVDKG-FKKKIIHTVRGIGYVARD----

General information: TITO was launched using: RESULT: Template: 1KGS.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 : 1011 -153699 -152.03 -708.29 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -152.03 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.587

(partial model without unconserved sides chains): PDB file : Tito_1KGS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KGS-query.scw PDB file : Tito_Scwrl_1KGS.pdb: