Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQMNRYDQAATLRAKMEKRERVLPMVYSQKAKTLAVISGKGGVGKSNITLNMALALQDKGKKVLLIDLDIGMGNIDILIG--NSSSATIIDVLTDRKPLLQSLSVGPKGLR-YISGGTGLDVMFQLDQRKWTFFANELSHALSQFDYVLFDMGAGLSKDQLPFILSAEDILIITTPEPTAIMDAYSAVKHLVLTENKLSMKVAVNRCRDQKEGLDAFARLSRTIHMFLDVQVQFAGSVSDDVIVSKAVVEQVPFFIKSPQAKASRSVRILADALFEREETRHKEDKQTFIEKLSSFLMRRA 4V03 Chain:A ((2-177)) ------------------------------AEVIVITSGKGGVGKTTLTANIGTALAKLGKKVLLIDAD---RNLDMILGLENRIVYDILDVLEGRVPYEKALVKDKRGLSLWLLP--------VIDIEKWNKTVEEIKNS-GNYDYILVDSPAGIEKGFQIAVSPADKALIVVNPEVSSIRDA-DRVIGLLESMDKRNYKVIVNRIK---------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4V03.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 : 846 -95022 -112.32 -586.55 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -112.32 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.523

(partial model without unconserved sides chains): PDB file : Tito_4V03.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4V03-query.scw PDB file : Tito_Scwrl_4V03.pdb: