Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQQHPDQLKLEEEPYLKGTVNTVIYHNDTNLYTVLKVKVTETSEAIEDKAVSVTGYFPALQEEETYTFYGKIVTHPKFGLQFQAEHFKKEIPTTKEGIIQYLSSDLFEGIGKKTAEEIVKKLGDSAINKILADASVLYDVPRLSKKKADTLAGALQRHQGLEQIMISLNQFGFGPQLSMKIYQAYESETLEKIQENPYQLVKDVEGIGFGKADELGSRMGLSGNHPERVKAAILYTLETTCLSEGHTYIETEQLIIDTQSLLNQS------AREGQRITEMDAANAIIALGENKDIVIEDGRCYFPSLFYAEQNVAKRVKHIASQTEYENQFPESEFLLALGELEERMDVQYAPSQKEAIQKALSSPMLLLTGGPGTGKTTVIRGIVELYGELHGVSLDPSAYKKDEAFPIVLAAPTGRAAKRMSESTGLPAVTIHRLLGW-------NGAEGFTHTEDQPIEGKLLIIDEASMLDIWLANHLFKAIPDHIQIIIVGDEDQLPSVGPGQVLRDLLASQVIPTVRLTDIYRQAEGSSIVELAHQMKNGLLPNNLTAPTKDRSFIRCGGSQIKEVVEKVVANALKKGYTAKDIQVLAPMYRGKAGINEL-NVMLQDILNPPKEKRRELKFGDVVYRTGDKILQLVN--QPENNVFNGDIGEITSIFYAKENTEKEDMAVVSFDGNEMTFTKKDFNQFTHAYCCSIHKSQGSEFPIVVLPVVKGYYRMLRRNLLYTAITRAKKFLILCGEEEALEWGVKNNDATVRQTSLKNRLSVQVEEMDAELEALQKELPFSVHDANIGMEGITPFDFMKEEQQ 1W36 Chain:D ((2-606)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KLQKQLLEAVE----HKQLRPLDVQFALTVAGDEHPAVTLAAALLSHDAG--EGHVCLPLSRLENNEASHPLLATCVSEIGELQNWEECLLASQAVSRGDEPTPMILCGDRLYLNRMWCNERTVARFFNEVNHAIEVDEALLAQTLDKLFPVSDEI------NWQKVAAAVALTRRISVISGGPGTGKTTTVAKLLAALIQMA----------DGERCRIRLAAPTGKAAARLTESLGKALRQLPLTDEQKKRIPEDASTLHRLLHAGNPLHLDVLVVDEASMIDLPMMSRLIDALPDHARVIFLGDRDQLASVEAGAVLGDICAYANAGFTAERARQLSRLTGTHVPAGTGTEAASLRDSLCLLQKSYRFGSDSG-------IGQLAAAINRGDKTAVKTVFQQDFTDIEKRLLQSGEDYIAMLEEALAGYGRYLDLLQARAEPDLIIQAFNEYQLLCALREGPFGVAGLNERIEQFMQQK-------------RQPSRLPEHETTWAMTVHKSQGSEFDHAALILPSQRTPVVTRELVYTAVTRARRRLSLYADERILSAAIATRTE--RRSGLAALFSS-----------------------------------------

General information: TITO was launched using: RESULT: Template: 1W36.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 2658 36254 13.64 69.45 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain D : 0.63 3D Compatibility (PKB) : 13.64 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.277

(partial model without unconserved sides chains): PDB file : Tito_1W36.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1W36-query.scw PDB file : Tito_Scwrl_1W36.pdb: