Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------MSQDEQVRAWLERELDGTVVAF-----ERQERWRAAWFAELKNQGELRS---------YYVRGHRGGNFREMITLGQEADINRVLHRHGVPVPRVHGMIDDPPAIVMDRLPGRVNLATALDDAEREAVLDQYVDAMCRMHAIDVNEFGALGLPVPADNRAAALNMYATGERNYRRAKTA------------PSPMIEFMWRWLCRNVPAGRTQQGLIQADAA--QFLFEQGRMTGLIDFEAAYIGDPIAEFAAMRSRDCEEPLGDIGRIARRYEAVTGEPVDRDAVEFHTAGWSLMTPFQWEDSVRNPAPGDSWLEYFTWLVGCGRWALEAIAAVAGAPLPTVEAPAQRPSSYSSAAYTNLMSLLDEWPTASAYEGFRADSARAVTRFAEHVHAFGADLEGAAVEEISELLGTRQPD-LATAEAALEQFVLRASPDLDVALVQYFHRWTQRQQFLIAGTGARHEKLIHLSLQPLTADAWQAEGQSRRHA 1NW1 Chain:A ((32-426)) GMKELLSTMDLDTDANTIPELKERAHMLCARFLGGAWKTVPLEHLRISRIKGGMSNMLFLCRLSEVYPPIRNEPNKVLLRVYFNPE--TESHLVAESVIFTLLSERHL-GPKLYGIFSG--GRLEEYIPSRPL---SCHEISLAHMSTKIAKRVAKVHQLE------VPIWKEPDYLCEALQRWLKQLTGTVDAEHRFDLPEECGVSSVNCLDLARELEFLRAHISLSKSPVTFCHNDLQEGNILLPKRLV--LIDFEYASYNYRAFDFANHFIEWTIDYDIDEAPFYKIQTENF--PENDQMLEFFLNYLREQGNT------------------------------------------------------------------RENELYKKSE----DLVQETLPFVPVSHFF-----WGVWGLLQVELSPVGFGFADYGRDRLSLYFKHK-QLLK-NLA-----------------------------------------------

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 : 1391 -5277 -3.79 -16.59 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -3.79 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.227

(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: