Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTLLQLQDVTYRYKNTAEAVLYQINYNFEPGKFYSIIGESGAGKSTLLSLLAGLDSPVEGSILFQGEDI---RKKGYSYHRMHHISLVFQNYNLIDYLSPLENIQLV------NKKASKDT----LLELGLDESQIKRNVLQLSGGQQQRVAIARSLVSEAPVILADEPTGNLDPKTAGDIVELLKSLAQKTGKCVIVVTHSKEVAQASDITLELKDKKLTETRNTSK 2PCJ Chain:A ((19-218)) -------------------ILKGISLSVKKGEFVSIIGASGSGKSTLLYILGLLDAPTEGKVFLEGKEVDYTNEKELSLLRNRKLGFVFQFHYLIPELTALENVIVPMLKMGKPKKEAKERGEYLLSELGLGD-KLSRKPYELSGGEQQRVAIARALANEPILLFADEPTGNLDSANTKRVMDIFLKI-NEGGTSIVMVTHERELAELTHRTLEMKDGKVV-------

General information: TITO was launched using: RESULT: Template: 2PCJ.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 : 840 -3332 -3.97 -17.82 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -3.97 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.522

(partial model without unconserved sides chains): PDB file : Tito_2PCJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PCJ-query.scw PDB file : Tito_Scwrl_2PCJ.pdb: