Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKMRNLISNYE-----------------LAKDLL-KNWEYDEENLDEMLSYFRISSNAIYPFFYKKK--------ICFLRIAPTDEKRKENIYGEIEFIQYLREHDFKALCPVPSKNGEFIRIVNTKWGEYYATVFEKVAGKPVEACEY-SEKMYHEYGKTMGRMHRLSSGFKPIIKKW--THEDVLNEIETMLTLYHC---------SNKAKIELENLRVELAKLPKN-HLSYGLIHYDFELDNVFYDEKTNTCSVIDFDDGMYHWYSTDIEQFLDSVSEEKGEL------------EAEQVKIAFFEGYQSEY------PIVEETKNSIPLMR--RFINLYSYVRIHHCLSDSFTSEKEWMTELRVKLTNMLKSIEETW--- 1NW1 Chain:A ((32-426)) --GMKELLSTMDLDTDANTIPELKERAHMLCARFLGGAWKTVPLEHLRISRIKGGMSNMLFLCRLSEVYPPIRNEPNKVLLRVYFNPETESHLVAESVIFTLLSERHL-GPKLYGIFSG--------------GRLEEYIPSRPLSCHEISLAHMSTKIAKRVAKVHQLEVPIWKEPDYLCEALQRWLKQLTGTVDAEHRFDLPEECGVSSVNCLDLARELEFLRAHISLSKSPVTFCHNDLQEGNILLPKR---LVLIDFEYASYNYRAFDFANHFIEWTIDYDIDEAPFYKIQTENFPENDQMLEFFLNYLREQGNTRENELYKKSEDLVQETLPFVPVSHFFWGVWGLLQVELSPVGFGFADYGRDRLSLYFKHKQLLKNLA

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 : 1268 23132 18.24 76.34 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 18.24 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.365

(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: