Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKTDKLLESLNVFIQKAEENQYKQLGEMVPDFPGKSNIPKYVEEYEKGIARLLRRQH--------KKFLDGLKGFVSK-------DSEETLKALLVFFTQNLFAEDDFEEEFQELTEGFLQQTIEEMAEVIMDSIDPEVPFKVLSNRTINWIKDWSKKLAEIMKLNTHEVVEDVLTNAIENGSSIQDIELTLKDMPQFDRERARTTAITEVLAASSAAQHESYAQSPAVKKKKWRHSGGKKNNPRENHIDLDGTVIGVDEEFQIPGSSETCMFPRDPKLSTRERVNCHCVLSPVVDSKILGLSPEEKEEIQREVLANME 3OR2 Chain:B ((67-128)) ------------------------------------------------GAARLMSTSHIREACEIAKKFCNGHLRFTTRNNIEFMVDNEETLKALVADLKTRKFAAGSFK------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3OR2.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 : 103 1669 16.20 35.50 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain B : 0.59 3D Compatibility (PKB) : 16.20 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.307

(partial model without unconserved sides chains): PDB file : Tito_3OR2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OR2-query.scw PDB file : Tito_Scwrl_3OR2.pdb: