Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAANPPRPSRSLQGKVAIVTGAGSRGETIGNGRAIALLLAEDGAKVVCVDREEALAQRTAELVLAENEGASALAVAADVSSAEECARVVDAALRLFGRVDVLVNGVGVLGPPGTAVDVDAARWARGLEVNVTSMMLMAKYAVPAMRDNEPEAGVRGSIVNLGSVAGLRGGTPSL-LYPTSKCAVVNMTRAMAAHHAKDGVRVNC--VCPGMLYTPMVYDAEGGMSAEVR-EARRRRSLLQTEGNAWDCAGPVRFLAGGEARWITGTVLTVDAGATCALAVSMPDGE 5IG2 Chain:B ((12-225)) ------------FDGKVAVITGAGS-----GFGRAFAEKGASLGMKLVLADVDEGALARTVDTLRAA--GAEVIGVRTDVSNGAQVQALADAALEAFGKVHLLFNNAGV-GAGGFLWESSANDWAWVFGVNVMGVAHGVRVFAPIMLGQNEAA----HIVNTASVAGLL-SPPSMGIYNASKHAVVSLTETLYHDLRNAGGEVGCSLLCPAFVPTG-IADAERVRPEALRNEAQPTRSQL-----------------------------------------------

General information: TITO was launched using: RESULT: Template: 5IG2.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 : 1148 -90720 -79.02 -432.00 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain B : 0.72 3D Compatibility (PKB) : -79.02 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.357

(partial model without unconserved sides chains): PDB file : Tito_5IG2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5ig2-query.scw PDB file : Tito_Scwrl_5IG2.pdb: