Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MREALQKALEALFGP------GEIAELKRLAGGASKEAWAVDYRSG-----AGLHPLFLRRAGGGVIYRGTLSLEAEFRTLELARAHRVRVPRPLLYLPDLEGREAFLMERLPGESIGARVVRRPEYARARARLPEAMAEELAKIHAIPPEEAPFLPRPEGSPPWRVALEEAYRDLDA-----LGEP-------HPALEWGLRWLREHP-PRERPPVLVHGDFRIGNLLVDEEGLLAVLDWEFAHIGDPREDLAWPLVRAWR-FGED--------GKRLGGVGEVEPFLERYNALTGQD----------LVPEELFWWEVLGNVRWGLGALNQAQRHLKGEERSVELAILGRLAAEMEYEILFLLESHG 1NW1 Chain:A ((56-396)) ----AHMLCARFLGGAWKTVPLEHLRISRIKGGMSNMLFLCRLSEVYPPIRNEPNKVLLRVYFNPE---TESHLVAESVIFTLLSERHLG-PKLYGIFSG-----GRLEEYIPSRPLSCHEI-------SLAHMSTKIAKRVAKVHQLEVPIWKEPDYLC--EALQRWLKQLTGTVDAEHRFDLPEECGVSSVNCLDLARELEFLRAHISLSKSPVTFCHNDLQEGNILLPK--RLVLIDFEYASYNYRAFDFANHFIEWTIDYDIDEAPFYKIQTENFPENDQMLEFFLNYLREQGNTRENELYKKSEDLVQETLPFVPVSHFFWGVWGLLQVE----------------------------------

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 : 1117 -4828 -4.32 -18.01 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -4.32 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.350

(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: