Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDDFIRIKGAREHNLQGVDVNIPKNKLVVITGLSGSGKSSLAFDTIYAEGQRRYVESLSAYARQFLNIQDKPDVESITGLSPAISINQKSISKNPRSTVGTVTEIYDYLRLMYARIGIPYSPATGLPIAKQTVSQIVDTIMALPLETKIYILAPIVRGRKGEHLKEILEIKKQGYVRLKIDGEVHNIDDLPKLDENKKHNIFVVADRILVSDNIGNRLPSSIESALRLGHGLMYAEIMSLPDNHNSEYKDGQILTFSENFACPESGFTLEELEPRLFSFNSPYGACYLCNGLGKKLDIDIKLIVPDETLSISEGALRPVGSMSRQVHASYGFLKSAILSLAENRKFSLDIPWKNIDQKVKNVILFGS------------------KETKFRGLVGILENQI-----DYDETLIERYCSVANCKECVGFRIRKEALTVKIDGRHIGEISRLSIDEFLKWFENLPSKLTEQQKQISNKILNEIIKRLTFLKNVGLNYLTLDRESSTLSGGESQRIRLASQIGSGLTGVLYVLDEPSIGLHQCDNDRLIATLKNLRDMGNTVIVVEHDEDTIMAADYAIDIGPGAGVNGGKIVAEGTPDQVQRSSKSITGQYLSGKKTISIPKRRKRAT-QYIKVVNACENNLKNIDVEFPIGNLICVTGISGGGKSSLVVETLYKYLARKMYDSSAKYGQCDKIEGLEYIDKIIEIDQSPIGRTPASNPATYVGIFTHVRNWFAGLPESKARGYNIGRFSFNTKGGRCEACKGDGHLRVEMHFLPDVYVKCEQCKGRRYNRETLEVTYKGKSVSDVLDMTIDQACDFFDNLPMVKEKLVSLQEVGLGYIKLGQPSTTLSGGEAQRIKLSRELSKRSTGRTLYILDEPTTGLHFEDVNNLLKILHKLVDLGNTVIVIEHNLHVIKTADYIIDIGPEGGMKGGKVVATGTPEEIIDIPESITGKYLKPYLSKLIKV |
2R6F Chain:A ((22-958)) | --DKIIVKGARAHNLKNIDVEIPRGKLVVLTGLSGSGKSSLAFDTIYAEGQRRYVESLSAYARQFLGQMEKPDVDAIEGLSPAISIDQKTTSRNPRSTVGTVTEIYDYLRLLFARIGRPICPTHGIEIQSQTIEQMVDRLLSYPERTKMQILAP----------------------------------------------IDVVVDRIIIKDGIAARLADSLETALKLADGKVVVDVIG----------EGELL-FSEKHACPYCGFSIGELEPRLFSFNSPFGACPDCDGLGAKLEVDLDLVIPNDELTLKEHAIAPWEP----------YYPQLLEAVCRHYGIPMDVPVKDLPKEQLDKILYGSGGEPIYFRYTNDFGQVREQYIAFEGVIPNVERRYRETSSDYIREQMEKYMAEQPCPTCQGYRLKKESLAVLVGGKHIGEVTAMSVTEALAFFDGL--ELTEKEAQIARLILREIRDRLGFLQNVGLDYLTLSRSAGTLSGGEAQRIRLATQIGSRLTGVLYVLDEPSIGLHQRDNDRLIATLKSMRDLGNTLIVVEHDEDTMLAADYLIDIGPGAGIHGGEVVAAGTPEEVMNDPNSLTGQYLSGKKFIPIPAERRRPDGRWLEVVGAREHNLKNVSVKIPLGTFVAVTGVSGSGKSTLVNEVLYKALAQKLHRAKAKPGEHRDIRGLEHLDKVIDIDQSPIGRTPRSNPATYTGVFDDIRDVFASTNEAKVRGYKKGRFSFNVKGGRCEACHGDGIIKIEMHFLPDVYVPCEVCHGKRYNRETLEVTYKGKNIAEVLDMTVEDALDFFASIPKIKRKLETLYDVGLGYMKLGQPATTLSGGEAQRVKLAAELHRRSNGRTLYILDEPTTGLHVDDIARLLDVLHRLVDNGDTVLVIEHNLDVIKTADYIIDLGPEGGDRGGQIVAVGTPEEVAEVKESHTGRYLKPILERDRAR |
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General information:
TITO was launched using:
| RESULT:
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Template: 2R6F.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -457351 for 7363 contacts (-62.1/contact) +
2D Compatibility (PS) -93423 + (NN) -30298 + (LL) 3544
1D Compatibility (HY) -94800 + (ID) 26050
Total energy: -698378.0 ( -94.85 by residue)
QMean score : 0.494
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