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:A ((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 A - contact count / total energy / energy per contact / energy per residue : 821 10195 12.42 47.42 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 12.42 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.288

(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: