Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGVKTKLFYEDIKPFFDIKSLQETKNGESHTVYILD-----------N-DYILKIYEEE-NLFNIDAEIELLNYTKK--LCVPKVIKDDIFIKGKRGLVFSKAKGESVVEF--VKSTHLEQIGQFLNSFHKMTKNKKHD-NL-SAFGKSQLKVMIEKTCN----KA----------FKDEFDCLK-----I--ELKNDGIIHGDLFLDNATFCGDKLTCVFDFSDACEGDFIFDLAVVALSWCS------------------NKEEINILLKAYDKEIKLDDFIIYLRYASLYYCVKRHLTNRDYDNIIFKNKFIDLI 1NW1 Chain:A ((76-357)) ------------------LRISRIKGGMSNMLFLCRLSEVYPPIRNEPNKVLLRVYFNPETESHLVAESVIFTLLSERHLG-PKLYGIF-----SGGRLEEYIPSRPLSCHEISLAHMSTKIAKRVAKVHQLEVPIWKEPDYLCEALQRWLKQLTGTVDAEHRFDLPEECGVSSVNCLDLARELEFLRAHISLSKSPVTFCHNDLQEGNILLPK--RLVLIDFEYASYNYRAFDFANHFIEWTIDYDIDEAPFYKIQTENFPENDQMLEFFLNYLREQ----------------------------------------

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 : 586 8430 14.38 43.45 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : 14.38 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.287

(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: