Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAETHTAIVFFAGDRAYKVKKAVDLGFVDYTDRQARRAACVREVALNRRFAPDVYLGVGEVVAPDAEVSEPLVVMRRMPAGRRLSALVRAGADVDEVLRAVARRLAAWHATAPRGRDVDEQGTRDALASRWEASFEQVRATTEGGSGFDGVPEVQRLVRRYLAGREALFDSRIEQRRVVDGHGDLLAEDIFCLDDGPRVLDCLEFDDHLRYVDGLDDAAFLAMDLEQLGAPAAAARFLARYGEYSGDPAPPSLWHHYVAYRAFVRAKVSLIQAEQGAPGVRSAARRLVSTTLRHLRTSAVGLTLVGGLPGSGKSTLSGALADRL-----GVTLLSSDRLRKELAGIPPESPAPAAYEEGLYTPEWTARTYDILLDRAAALLSRGESVVLDATWSAAELRAAAGRVAERTCADLVALHCQVPDEVAAARLSTRSPGPSD-ADLGVADALAAREPPW-PDAVVVDTSGPLESAVSRALAAVRPWGTDQAPVFRRPSAEPDQDRGAGSSLP 4BZQ Chain:B ((2-172)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PRGKTVWFTGLSGSGKSSVAMLVERKLLEKGISAYVLDGDNLRHGLNADLGFS------------MADRAENLRRLSHVATLLADCGHLVLVPAISPLAEHRALARKVHADAGIDFFEVFCDTPLQDCERRDPKGLYAKARAGEITHFTGIDSPYQRPKNPDLRLTPDRSIDEQAQEVIDLLE----------------------------

General information: TITO was launched using: RESULT: Template: 4BZQ.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 : 821 27872 33.95 169.95 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.59 3D Compatibility (PKB) : 33.95 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.178

(partial model without unconserved sides chains): PDB file : Tito_4BZQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4bzq-query.scw PDB file : Tito_Scwrl_4BZQ.pdb: