Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------MKNKLYEHDITAI--AWQDKHELLERILQQAGTIAITPLMQGMEAEAVKVATDADRYVLKI-WSRDSKPDIRLQYQVMNMLHERGISVSKPIGWGIN------ASGHSVLLTTFDGDPLRDGNAHTMREI-----------ANLLDHIHRISPEEIDRHTRLPRYNFRDYFFPGMHEYPDLYPLLEQLVELASPTH--KRIIHGDFHLGNIVEQQGRLTVIDWTNVQLGDPRYDFAWSLT-----------------LQQFYIPEHFAEVFRDTYVAMNEIQRE-----------ELEVFQALACLRWMLL------YRNGGVPMGADTLERVRRLLTSNPHLHGVTI 1NW1 Chain:A ((32-426)) GMKELLSTMDLDTDANTIPELKERAHMLCARFLGGAWKTVPLEHLRISRIKGGMSNMLFLCRLSEVYPPIRNEPNKVLLRVYFNPETESHLVAESVIFTLLSERHLG-PKLYGIFSGGRLEEYIPSRPLSCHEISLAHMSTKIAKRVAKVHQLEVPIWKEPDYLCEALQRWLKQLTGTVDAEHRFDLPEECGVSSVNCLDLARELEFLRAHISLSKSPVTFCHNDLQEGNILLPK-RLVLIDFEYASYNYRAFDFANHFIEWTIDYDIDEAPFYKIQTENFPENDQMLEFFLNYLREQGNTRENELYKKSEDLVQETLPFVPVSHFFWGVWGLLQVELSPVGFGFADYGRDRLSLYFKHKQLLKNLA-

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 : 1212 -9016 -7.44 -31.20 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -7.44 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.238

(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: