Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAANPPRPSRSLQGKVAIVTGAGSRGETIGNGRAIALLLAEDGAKVVCVDREEALAQRTAELVLAENEGASALAVAADVSSAEECARVVDAALRLFGRVDVLVNGVGVLGPPGTAVDVDAARWARGLEVNVTSMMLMAKYAVPAMRDNEPEAGVRGSIVNLGSVAGLRGGTPSLLYPTSKCAVVNMTRAMAAHHAKDGVRVNCVCPGMLYTPMVYDAEGGMSAEVREARRRRSLLQTE----GNAWDCAGPVRFLAGGEARWITGTVLTVDAGATCALAVSMPDGE 3RRO Chain:B ((5-247)) -------SQFMNLEGKVALVTGA-SRGI----GKAIAELLAERGAKVIGTATSESGAQAISDYL-----GDNGKGMALNVTNPESIEAVLKAITDEFGGVDILVNNAGIT-RDNLLMRMKEEEWSDIMETNLTSIFRLSKAVLRGMMKKR-----QGRIINVGSVVGTMGNAGQANYAAAKAGVIGFTKSMAREVASRGVTVNTVAPGFIETD--------MTKALNDEQRTATLAQVPAGRLGDPREIASAVAFLASPEAAYITGETLHVNGG-------------

General information: TITO was launched using: RESULT: Template: 3RRO.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 : 1286 -120543 -93.73 -504.36 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.77 3D Compatibility (PKB) : -93.73 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.477

(partial model without unconserved sides chains): PDB file : Tito_3RRO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3rro-query.scw PDB file : Tito_Scwrl_3RRO.pdb: