Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAYRILVVEDDEDIGDLLEESLTRAGYEVLRAKDGKRALQLVN-DSLDLVILDIMMPGISGIETCQHIRK-SSNVPILFLTARSSTLDKTEGLLAGGDDYMTKPFSEEELHARVIAQLRRYTIYQEKKEQEETFLIGGKLRVSEEFNEVWKEEKQIKLSDLEYRILKLLMNKRNKIFSAQNIYESVWGQPYFYCSNNTVMVHIRKLRSKIEDDPARPVYIKTEWGRGYRFGAS 1KGS Chain:A ((2-224)) -NVRVLVVEDERDLADLITEALKKEMFTVDVCYDGEEGMYMALNEPFDVVILDIMLPVHDGWEILKSMRESGVNTPVLMLTALSDVEYRVKGLNMGADDYLPKPFDLRELIARVRALIRRKSESKS------TKLVCGDLILDTATKKAYRGSKEIDLTKKEYQILEYLVMNKNRVVTKEELQEHLW------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 : 994 -10957 -11.02 -50.72 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -11.02 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.569

(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: