Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVENMGRDSMWQAISTLLRDWHTEDA------EIELKTELPGGEIHSAWHLRFG---------GKDYFVKCDEREL-LPIFTAESDQLELLSRSKTVRVPQVFAVGSDRDYSFVVMEYLPPRPLDA------HNAFLLGQQLAHLHQWSDQPQFGLDFDNDLSTTPQPNAWQRRWSVFFAEQRIGW-QLELAAEKG---LHFGDIDTLVDMVQQRLANHQPQPSLLHGDLWSGNCALGPDGPYIFD-PACYWGDRECDLAMLPMH----------------------PEQPPQIYDGYQSVSPLPSGFLDRQPIYQLYTLLNRAILFGGQHLVTAQQALDDVLMEKMR 1NW1 Chain:B ((53-359)) ----------KERAHMLCAR-FLGGAWKTVPLEHLRISRIKGGMSNMLFLCRLSEVYPPIRNEPNKVLLRVYFNPETESHLVAESVIFTLLSER-HLG-PKLYGIFS----GGRLEEYIPSRPLSCHEISLAHMSTKIAKRVAKVHQLEVPIWKE-P--------DYLCEALQRWLKQLTGTVDAEHRFDLPEECGVSSVNCLDLARELEFLRAHISLSKSPVTFCHNDLQEGNILLPK-RLVLIDFEYASYNYRAFDFANHFIEWTIDYDIDEAPFYKIQTENFPENDQMLEFFLNYLREQGN--------------------------------------------

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 B - contact count / total energy / energy per contact / energy per residue : 898 -18806 -20.94 -82.48 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.61 3D Compatibility (PKB) : -20.94 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.249

(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: