Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFLSKNGAGILACLLISILSWYLGGFFPVIGAPVFAIFIGMLLHPFLSSYKQLDAGLTFSSKKLLQYAVVL----LGFGLNISQVFAVGQSSLPVILSTISIALIIAYLFQRFFALDTKLATLVGVGSSICGGSAIAATAPVIHAK---EKE-VAQAISVIFFFNVLAALIFPTLGTWLHLSNEGFALFAGTAVNDTSSVTAAASAWDSLYQSNTLESATIVKLTRTLAIIPITLFLSYWQSRQQENKQSLQLKKVFPLFILYFILASLLTTLLTSLGVSSSFFTPLKQLSKFLIVMAMSAIGLKTNLVAMVKSSGKSILLGAICWIAIILTTLGMQTLIGIF 5BZ3 Chain:A ((28-169)) ------------------------------QPVVIGEVLAGVLVGPALL--GLVHE-G-EILEFLAELGAVFLLFMVGLETRLKDILAVGKEAFLVAVLGVALPFLGGYLYGLEIGFETLPALFLGT--ALVATSVG-ITARVLQELGVLSRPYSRIILGAAVIDDVLGLIVLACVNGV---------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5BZ3.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 : 361 -43913 -121.64 -327.71 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.51 3D Compatibility (PKB) : -121.64 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.51 QMean score : 0.145

(partial model without unconserved sides chains): PDB file : Tito_5BZ3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5BZ3-query.scw PDB file : Tito_Scwrl_5BZ3.pdb: