Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVYTELSEQDVMHLLADYDLGVYVRHQGISAGVENTNYFVSTD---------QHELVLTVFEKH-SADELPFFLQLGEHLHARHCKVPQPFRDRDGQFLQIVKGKPAVFIERLTGQHVQA----SPACALKIAQALADIHNATLSFQTDQRHS-HN-RGWIERQASRVLP-----SLSAP------DQQLMNAALAIIRAIP--DDLPEGVIHADLFHDNALFDGNEVAGIIDWYFAGRDSYALDIAITMNDWCLDTQ------------HQVDPEQCAAFIERYHQRRSLSSAERNALPKLQVQSALRFWISRLLAQAEHGESNDSITVKDPIPMREQCRQLLTRVREPGNEHR 1NW1 Chain:B ((75-360)) -----------------------HLRISRIKGGMSNMLFLCRLSEVYPPIRNEPNKVLLRVYFNPETESHLVAESVIFTLLSERHLG-PKLYGIFS----------GGRLEEYIPSRPLSCHEISLAHMSTKIAKRVAKVHQLEVPIW-KEPDYLCEALQRWLKQLTGTVDAEHRFDLPEECGVSSVNCLDLARELEFLRAHISLSKSPVTFCHNDLQEGNILLPK--RLVLIDFEYASYNYRAFDFANHFIEWTIDYDIDEAPFYKIQTENFPENDQMLEFFLNYLREQGNT---------------------------------------------------------------

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 : 815 5371 6.59 24.98 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : 6.59 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.298

(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: