Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAANPPRPSRSLQGKVAIVTGAGSRGETIGNGRAIALLLAEDGAKVVCVDREEALAQRTAE------LVLAENEGASALAVAADVSSAEECARVVDAALRLFGRVDVLVNGVGVLG---PPGTAVDVDAARWARGLEVNVTSMMLM-AKYAVPAMRDNEPEAGVRGSIVNLGSVAGLRGGTPSLLYPTSKCAVVNMTRAMAAHHAKDGVRVNCVCPGMLYTPMVYDAEGGMSAEVREAR--RRRSLLQTEGNAWDCAGPVRFLAGGEARWITGTVLTVDAGATCALAVSMPDGE 5JLA Chain:B ((12-253)) ---------SAEFNGAIAVVTGAGS-----GIGRACAELLSRSGANVIVADRDIEAATRVARATGGKTLVLDVGEDASVTAAANEVRA-------------RYGVADVLVNCAGVLQRTLPPG---ELAQREWDVVSRIDLRGTYLCCAAFGAP-MADRR-----RGSIVNIASVAGMRSG-PLHAYGPAKAGVISLTETLAGEWGPKGVRVNCVSPGFTQTPAL---ERGFTTHTLKADVLRDAAALGHIVSANEIAEAVVFLASERASAITGVNLPVDAG-------------

General information: TITO was launched using: RESULT: Template: 5JLA.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 : 1327 -32509 -24.50 -141.34 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : -24.50 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.305

(partial model without unconserved sides chains): PDB file : Tito_5JLA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5jla-query.scw PDB file : Tito_Scwrl_5JLA.pdb: