Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGKNSKAIGNNHVKSVYQALLQSLKSKSVNGFSKITI--ETISFIKNLYPEIDSVTSKFDNS--RPDQSKDLTLYLKS----GETISLNLFLIK-----KGRRIQPKNAGAKSFLEKYFLSAEMQK---------------------IFNKEFERYYLDYLKEVVEH---KKGTHYITDKR---ELKRLVSSH-FPKFTEEINLYRDKFLFNLRETCFTLLQQFYNEKNIGFTHAFNVFFMVNDTNIITSYGKDENDVKVEK-----FAPASPSLKDI---ELYKTGKSTVGIKFGEVGLTL-RFKFESDPWKSIKLATGYHEFPKEKERVNVNLKTMRRM---------EKLLNKHEYAKTSNNSNAIGKCHEAWTYYY-----FLKAFPDVIQVDPKQCVELINTYFSSINQNTLKKLYSSTSTIVDAITEKLRQKYHDYIIESIELIPD--------AYIKDRLDTGDL----------------------QLVLKVNNNIIVEN---------------ISL------KALAKRNSKIT----TKNPGMGSILGPTYFNMGSMESVINEVKNKFTIGEFNHRKSLEILSYEFGMKLDSATQEQLR----RGIHNLLGKAMIAITIYGEGISFCKEPSEIDGEVKVHVNVPSAIQNTL----TWNNELESISLRAKFSKSQKHGWSSIKLTSECQLESRK---------------------------------------------------------------------------------------------------------------- 4CR2 Chain:Z ((49-993)) LELLVERLKEDD-SSLYEASLNALKESIKNSTSSMTAVPKPLKFLRPTYPDLCSIYDKWTDPNLKSSLADVLSILAMTYSENGKHDSLRYRLLSDVSDFEGWGHEYIRHLALEIGEVYNDQVEKDAEDETSSDGSKSDGSAATSGFEFSKEDTLRLCLDIVPYFLKHNGEEDAVDLLLEIESIDKLPQFVDENTFQRVCQYMVACVPLLPPPEDVAFLKTAYSIYLSQN-ELTDAIALAVRLGEEDMIRSVFDATSDPVMHKQLAYILAAQKTSFEYEGVQDIIGNGKLSEHFLYLAKELNLTGPKVPEDIYKSHLDNSKSVFSSAGLDSAQQNLASSFVNGFLNLGYCNDKLIVDNDNWVYKTKGDGMTSAVASIGSIYQWNLDGLQQLDKYLYVDEPEVKAGALLGIGISASGVHDGEVEPALLLLQDYVTNPDTKISSAAILGLGIAFAGSKNDEVLGLLLPIAASTDLPIETAAMASLALAHVFVGTCNGDITTSIMDNFLERTAIELKTDWVRFLALALGILYMGQGEQVDDVLETISAIEHPMTSAIEVLVGSCAYTGTGDVLLIQDLLHRLTLAYAVLGIALIALGEDIGKEMSLRHFGHLMHYGNEHIRRMVPLAMGIVSVSDPQMKVFDTLTRFSHDADLEVSMNSIFAMGLCGAGTNNARLAQLLRQLASYYSREQDALFITRLAQGLLHLGKGTMTMDVFNDAHVLNKVTLASILTTAVGLVSPSFMLKHHQLFYMLNAGIRPKFILALNDEGEPIKVNVRVGQPVLLNHGERAELETDEYISYTSHIEGVVILKKNPDYREEE

General information: TITO was launched using: RESULT: Template: 4CR2.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain Z - contact count / total energy / energy per contact / energy per residue : 2632 55607 21.13 96.88 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain Z : 0.63 3D Compatibility (PKB) : 21.13 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.197

(partial model without unconserved sides chains): PDB file : Tito_4CR2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CR2-query.scw PDB file : Tito_Scwrl_4CR2.pdb: