Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKTDKLLESLNVFIQKAEENQYKQLGEMVPDFPGKSNIPKYVEEYEKGIARLLRRQH--------KKFLDGLKGFVSK-------DSEETLKALLVFFTQNLFAEDDFEEEFQELTEGFLQQTIEEMAEVIMDSIDPEVPFKVLSNRTINWIKDWSKKLAEIMKLNTHEVVEDVLTNAIENGSSIQDIELTLKDMPQFDRERARTTAITEVLAASSAAQHESYAQSPAVKKKKWRHSGGKKNNPRENHIDLDGTVIGVDEEFQIPGSSETCMFPRDPKLSTRERVNCHCVLSPVVDSKILGLSPEEKEEIQREVLANME 3OR1 Chain:B ((68-129)) ------------------------------------------------GAARLMSTSHIREACEIAKKFCNGHLRFTTRNNIEFMVDNEETLKALVADLKTRKFAAGSFK------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3OR1.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 : 104 1933 18.59 41.13 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain B : 0.59 3D Compatibility (PKB) : 18.59 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.303

(partial model without unconserved sides chains): PDB file : Tito_3OR1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OR1-query.scw PDB file : Tito_Scwrl_3OR1.pdb: