Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAETHTAIVFFAGDRAYKVKKAVDLGFVDYTDRQARRAACVREVALNRRFAPDVYLGVGEVVAPDAEVSEPLVVMRRMPAGRRLSALVRAGADVDEVLRAVARRLAAWHATAPRGRDVDEQGTRDALASRWEASFEQVRATTEGGSGFDGVPEVQRLVRRYLAGREALFDSRIEQRRVVDGHGDLLAEDIFCLDDGPRVLDCLEFDDHLRYVDGLDDAAFLAMDLEQLGAPAAAARFLARYGEYSGDPAPPSLWHHYVAYRAFVRAKVSLIQAEQGAPGVRSAARRLVSTTLRHLRTSAVGLTLVGGLPGSGKSTLSGALADRL-----GVTLLSSDRLRKELAGIPPESPAPAAYEEGLYTPEWTARTYDILLDRAAALLSRGESVVLDATWSAAELRAAAGRVAERTCADLVALHCQVPDEVAAARLSTRSPGPSD-ADLGVADALAAREPPW-PDAVVVDTSGPLESAVSRALAAVRPWGTDQAPVFRRPSAEPDQDRGAGSSLP 4BZP Chain:A ((2-173)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PPRGKTVWFTGLSGSGKSSVAMLVERKLLEKGISAYVLDGDNLRHGLNADLGFS------------MADRAENLRRLSHVATLLADCGHLVLVPAISPLAEHRALARKVHADAGIDFFEVFCDTPLQDCERRDPKGLYAKARAGEITHFTGIDSPYQRPKNPDLRLTPDRSIDEQAQEVIDLLE----------------------------

General information: TITO was launched using: RESULT: Template: 4BZP.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 : 780 17900 22.95 108.48 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : 22.95 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.171

(partial model without unconserved sides chains): PDB file : Tito_4BZP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4bzp-query.scw PDB file : Tito_Scwrl_4BZP.pdb: