Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVSDETHAYWLEAAHALLGDASAEILAGDSEVATLLLTLT--------DRRQVVMKAVRAASEKRANLFFQWEALMLLSAEPDFPGPQPVSRHSLSDETEVFVLGYVPGRHPAFE---SDEDFRVFGATLARFHKISKGKRLS-G-ATNWDLHRVARHYENPLLL-Q--LLSDQ------ERTIVAAALDRFGPQFQAQIDEGVWTGLVHSDSHRHNVVIDGARGSLIDFGECGFGALFWDLGVAVADSAVDA-------------PERGEVCRQNLVAGYCTVTPEAE---------PIVDKTLPVFEAMRSLEVITWPVSDWSPERLAGDKEEARDNIEVSVRHLEALLDSP 1NW1 Chain:B ((76-396)) --------------------LRISRIKGGMSNMLFLCRLSEVYPPIRNEPNKVLLRVYFNPE-TESHLVAESVIFTLLSER-HLG-PKLYGIF-----SGGRLEEYIPSRPLSCHEISLAHMSTKIAKRVAKVHQLEVPIWKEPDYLCEA-LQRWLKQLTGTVDAEHRFDLPEECGVSSVNCLDLARELEFLRAHISL--SKSPV-TFCHNDLQEGNILLPK-RLVLIDFEYASYNYRAFDFANHFIEWTIDYDIDEAPFYKIQTENFPENDQMLEFFLNYLREQGNTRENELYKKSEDLV-QETLPFVPVSHFFWGVWGLLQVE-----------------------------

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 B - contact count / total energy / energy per contact / energy per residue : 964 8100 8.40 32.79 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : 8.40 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.315

(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: