Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKVLLGFMGAGKSTIAR----GLDPNYLDMDALIEKRLGMSIANFFAEKGEAAFRQVESEVL-ADLLQTDQVVSTGGGVVISQRNRDLLKTNTDNIYLKADFETLYLRIVADKDNQRPLFLNNSK-EELVAIFQERQAWYEEVASRVLDVTKLSPEEIIEELR 4BQS Chain:C ((6-162)) ---VLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAGHT-VVYLEISAAEGVRRT--GGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHI-

General information: TITO was launched using: RESULT: Template: 4BQS.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 681 27262 40.03 180.54 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain C : 0.78 3D Compatibility (PKB) : 40.03 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.554

(partial model without unconserved sides chains): PDB file : Tito_4BQS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BQS-query.scw PDB file : Tito_Scwrl_4BQS.pdb: