Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQQHPDQLKLEEEPYLKGTVNTVIYHNDTNLYTVLKVKVTETSEAIEDKAVSVTGYFPALQEEETYTFYGKIVTHPKFGLQFQAEHFKKEIPTTKEGIIQYLSSDLFEGIGKKTAEEIVKKLGDSAINKILADASVLYDVPRLSKKKADTLAGALQRHQGLEQIMISLNQFGFGPQLSMKIYQAYESETLEKIQENPYQLVKDVEGIGFGKADEL-GSRMGLSGNHPERVKAAILYTLETTCLSEGHTYIETEQLIIDTQSLLNQSAREGQRITEMDAANAIIALGE---------NKDIVIEDGRCYFPSLFYAEQNVAKRVKHIASQTEYENQFPESEFLLALGELEERMDVQYAPSQKEAIQKALSSPMLLLTGGPGTGKTTVIRGIVELYGELHGVSLDPSAYKKDEAFPIVLAAPTGRAAKRMSESTGL-----------------PAVTIHRLLGWNGAEGFTHTEDQPIEGKLLIIDEASMLDIWLANHLFKAIPDHIQIIIVGDEDQLPSVGPGQVLRDLLASQV------------------IP-------------TVRLTDIYRQAEGSSIVELAHQMKNGLLPNNLTAPTKDRSFIR-----CG--GSQIKEVVEKVVANAL---K-----K-GYTA-KDIQVLAPMYRGKAGINELNVMLQDILNPPKEKRRELKFGDVVYRTGDKILQLVNQPENNVFNGDIGEITSIFYAKENTEKEDMAVVSFDGNEMTFTKKDFNQFTHAYCCSIHKSQGSEFPIVVLPVVKGYYRMLRRNLLYTAITRAKKFLILCGEEEALEWGVKNNDATVRQTSLKNRLSVQVEEMDAELEALQKELPFSVHDANIGMEGITPFDFMKEEQQ 1W36 Chain:D ((12-606)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EHKQLRPLDVQFAL--TV-AGDEHPAVTLAAALLSHDA-GEGHVCLPLSRLENNEASHPLLAT---CVSEIGELQNWEECLLASQAVSRGDEPTPMILCGDRLYLNRMWCNERTVARFFNEVNHAIE----VDEALLAQTLDKLF--PVSDEINWQKVAAAVALTRRISVISGGPGTGKTTTVAKLLAALIQMA----------DGERCRIRLAAPTGKAAARLTESLGKALRQLPLTDEQKKRIPEDASTLHRLL----------HAGNPLHLDVLVVDEASMIDLPMMSRLIDALPDHARVIFLGDRDQLASVEAGAVLGDICAYANAGFTAERARQLSRLTGTHVPAGTGTEAASLRDSLCLLQKSYRFGSDSGIGQLAAAINRGDKTAVKTVFQQDFTDIEKRLLQSGEDYIAMLEEALAGYGRYLDLLQARAEPDLIIQAFNEYQLLCALREGPFGVAGLNERIEQFMQQKR-----------------------------------------------------------------QPSRLPEHETTWAMTVHKSQGSEFDHAALILPSQRTPVVTRELVYTAVTRARRRLSLYADERILSAAIATR--TERRSGLAALFSS-----------------------------------------

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 : 1972 -18521 -9.39 -40.89 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain D : 0.65 3D Compatibility (PKB) : -9.39 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.361

(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: