Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPSKAFETLPNIYLVGPMGAGKTTVGRHLAELLGREFLDSDHEIERKTGATIPWIFEKEGEVGFRTRETVVLNELTSRKALVLATGGGAITQAPNREFLKQRGIVVYLYTPVELQLQRTYRDKNRPLLQVENPEQKLRDLLKIRDPLYREVAHYTIETNQGAARDLAQKILQLILSNKLK 2IYR Chain:B ((3-152)) ---------PKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAGH-TVVYLEISAAEGVRRTGGNTV--LLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNR--------------------

General information: TITO was launched using: RESULT: Template: 2IYR.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 680 -54577 -80.26 -368.76 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : -80.26 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.355

(partial model without unconserved sides chains): PDB file : Tito_2IYR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IYR-query.scw PDB file : Tito_Scwrl_2IYR.pdb: