Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGKNSKAIGNNHVKSVYQALLQ-SLKSKSVNGFSKITIETISFIKNLYPEIDSVTSKFDNSRPDQSKDLTLYLKSG--ETISLNLFLIKKGRRIQPKNAGAKSFLEKYFLSAEMQKIFNKEFERY--YLDYLKEVV-EHKKGTHYITDKRELKRLVSSHFPKFTEEINLYRDKFLFNLRETCFTLLQQFYNEKNIGFTHAFNVFFMVNDTNIITSYGKDENDVKVEKFAPASPSLKDIELYKTGKSTVGIKFGEVGLTLRFKFESDPWKSIKLATGYHEFPKEKERVNVNLKTMRRMEKLLNKHEYAKTSNNSNAIGKCHEAWTYYYFLKAFPDVIQVDPKQCV-----------ELINTYFSSINQ-NTLKKLYSSTSTIVDAITEKLRQKYHDYIIESIELI---PDAYIKDRLDTGDLQLVLKVNNNIIVENISLKALAKRNSKITTKNPGMGSILGPTYFNMGSMESVINEVKNKFTIGEFNHRKSLEILSYEFGMKLDSATQEQLRRGIHNLLGKAMIAITIYGEGISFCKEPSEIDGEVKVHVNVPSAIQNTLTWNNELESISL-RAKFSKSQKHGWSSIKLTSECQLESRK 4NNB Chain:A ((4-527)) -------------TSLYITAAPIGAVPKFLDPFE------ATFIPSFLLE-----GFFD---ADRCASIAADLKTDGWEVVPAGGRLLQVGHA-QPIAHFPKPWLAA--LSNKLARRIVLQLTTYGWIVSEQGDLLWEHERQHHYLP-------------PALIEAIEKESPALLKNMEEAGWIACAAGYWQAG----KARSPYLPIT---------------------PEAITEETIRSMRAGAAVVHLHTRDLSDRRRIEIPG--LGVVTVGSQRNQIVLDDYDAIVPMVKKREPAAILNLSTSVRGDRHGARSKLRRAHLKFYDDVGSAPEVASLSPAAVVFQGGGGYDNAPDFLDAQFDHFERVGTRPEVEVFNHAIVDNATSLYRDRLLRTGKPVLFMLVAGVDQYRRDPI-TGE------VEDDSLIARVVREEISSLLAD-----ESADSHRRAVELAIGQLRPVVERLRASFPV------SKISIL---------------LPGPMQNLLVDVALGLGLDGIRVGL---------EDGLTVNDARVPGGVRKARGTWEQVSLVREELLGRGATILTAAQVRDMFGLGI--

General information: TITO was launched using: RESULT: Template: 4NNB.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 : 2588 102471 39.59 221.80 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 39.59 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.197

(partial model without unconserved sides chains): PDB file : Tito_4NNB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NNB-query.scw PDB file : Tito_Scwrl_4NNB.pdb: