Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTRPPTPTADTVRRLVRTLLKDGAADA-----SGPEVRPAAPGADPVTWLVG------------GRHVLRLARDRDAAARQRRELRLRDLVRTHVPVAVPVSVAQGEWAPGLAYTLDTRVPGASGAEHDV-SAVGEADLAGLLTGLREVPARQAETLGVPRAAPRSLEALRAAAEPAAER-----LAGADE---FDAARLRQLTRAAAVQLAAQSAPPVLVHHALTGGHLVVSADGRVRAVLGWAGTVLGDPAEDIAGLALAVGS------------------PAAVRAATLAGYGAR---------------PCLRGLWLARCDAVLQLAARLDGTGTAPLPRLRTRLRHAWEAILLERVTELRAEAGEDGERRA 1NW1 Chain:A ((53-396)) --------KERAHMLCARFLGGA---WKTVPLEHLRISRIKGGMSNMLFLCRLSEVYPPIRNEPNKVLLRVYFNPETESHLVAESVIFTLLSER-HLG-PKLYGIFS-----GGRLEEYIPSRPLSCHEISLAHMSTKIAKRVAKVHQLEVPIWKE---PDYLCEALQRWLKQLTGTVDAEHRFDLPEECGVSSVNCLDLARELEFLRAHISLSKSPVTFCHNDLQEGNILLPK---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 : 1051 -36996 -35.20 -145.08 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -35.20 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.323

(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: