Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------MDDATDELATLIARGLG----VLRPKRLH----AGA---EAVAYELDDA---------RVLKVYHAGGSAERFATIASFYARLNSDRAGFAVPRILTHGVEGGRAYSVEKRLLGEPLSTRAHFLTDTDLIDAYLAAALRVGRIQVEPEWNS----WTMFGEQRHGDWHQHVRGQIESQSRA-LARMLQPAY--WERLANATADVRQHFDRPFLGKVCLIHGDFHPGNVLVGATGRVLSLVDFGAFTTFGDAAFDVATACG-------------YFSMYE--PDQATTRRSLVARLLRMEGSP----PGALVAMYLKLAAFLTCTAYPDDRVAVQDTGHFQWAMSVLF--------DPMLDELVDRVPH------------ 1NW1 Chain:A ((32-426)) GMKELLSTMDLDTDANTIPELKERAHMLCARFLGGAWKTVPLEHLRISRIKGGMSNMLFLCRLSEVYPPIRNEPNKVLLRVYFNPETESHLVAESVIFTLLSER-HLG-PKLYGI-FSGGRLEEY---IPSRPLSC--HEISLAHMSTKIAKRVAKVHQLEV-PIWKEPDYLCEALQR-----WLKQLTGTVDAEHRFDLPEECGVSSVNCLDLARELEFLRAHISL-SKSPVTFCHNDLQEGNILL--PKR-LVLIDF-EYASYNYRAFDFANHFIEWTIDYDIDEAPFYKIQTENFPENDQMLEFFLNYLREQGNTRENELYKKSEDLVQETLPFVPVS-------------HFFWGVWGLLQVELSPVGFGFADYGRDRLSLYFKHKQLLKNLA

General information: TITO was launched using: RESULT: Template: 1NW1.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 : 1175 6170 5.25 21.88 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 5.25 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.357

(partial model without unconserved sides chains): PDB file : Tito_1NW1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1nw1-query.scw PDB file : Tito_Scwrl_1NW1.pdb: