Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAANPPRPSRSLQGKVAIVTGAGSRGETIGNGRAIALLLAEDGAKVVCVDREEALAQRTAELVLAENEGASALAVAADVSSAEECARVVDAALRLFGRVDVLVNGVGVLGPPGTAVDVDAARWARGLEVNVTSMMLMAKYAVPAMRDNEPEAGVRGSIVNLGSVAGLRGGTPSLLYPTSKCAVVNMTRAMAAHHAKDGVRVNCVCPGMLYTPMVYDAEGGMSAEVREARRRRSLLQTE----GNAWDCAGPVRFLAGGEARWITGTVLTVDAGATCALAVSMPDGE 3RRO Chain:A ((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 A - contact count / total energy / energy per contact / energy per residue : 1275 -114020 -89.43 -477.07 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -89.43 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.479

(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: