Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASDRQDLSDRIARAIGH-------GVRRLSPLSGGCVGDVLRAELE--------DGAAPVVVKVAD-D-AGGGLDIEGWMLRYLADTSRLPVPGVLHAEAGLLVMEEIQAGGGGI----SASCQEHAADLLADLHSVTWDAFGLERDTLIGGLHQPNPREASWRTFFRDHRLLYMAD-ESHRAGRLPADVRRKVDTLAGRLDDWIE-EPDAPALIHGDMWTGNVLCDGGRIAGFIDPA-IYYGDAEIELAFSTLFG----------------------TFGEPFFRRYQEKRPLR---------PGFFEARRDLYNLYPLLVHVRLFGGSYVGSVSRTLDRFVG 1NW1 Chain:A ((54-392)) -----ERAHMLCARFLGGAWKTVPLEHLRISRIKGGMSNMLFLCRLSEVYPPIRNEPN-KVLLRVYFNPETESHLVAESVIFTLLSER-HLG-PKLYGIFSGGRLEEYIPSRPLSCHEISLAHMSTKIAKRVAKVHQLEVPIWKEP--------DYLCEALQRWLKQLTGT-VDAEHRFDLPEECGVSSVNCLDLARELEFLRAHISLSKSPVTFCHNDLQEGNILLPK--RLVLIDFEYASYNYRAFDFANHFIEWTIDYDIDEAPFYKIQTENFPENDQMLEFFLNYLREQGNTRENELYKKSED-LVQETLPFVPVSHFFWGVWGL----------------

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 : 1044 -26283 -25.18 -103.48 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -25.18 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.261

(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: