Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVGYDPKPDGRNNTKFQVAVAGSVSGLVTRALISPFDVIKIRFQLQHERLSRSDPSAKYHGILQASRQILQEEGPTAFWKGHVPAQILSIGYGAVQFLSFEMLTELVHRGSVYDAREFSVHFV----CGGLAACMATLTVHPVDVLRTRFAAQ----GEPKVYNTLRHAVGTMYRSEGPQVFYKGLAPTLIAIFPYAGLQFSCYSSLKHLYKWAIPAEGKKNENLQNLLCGSGAGVISKTLTYPLDLFKKRLQVGGFEHARAAFGQVRRYKGLMDCAKQVLQKEGALGFFKGLSPSLLKAALSTGFMFFSYEFFCNVFHCMNRTASQR |
2C3E Chain:A ((12-291)) | -------------------LAGGVAAAISKTAVAPIERVKLLLQVQHASKQIS-AEKQYKGIIDCVVRIPKEQGFLSFWRGNLANVIRYFPTQALNF-AFKDKYKQIFLGGVDRHKQFWRYFAGNLASGGAAGATSLCFVYPLDFARTRLAADVGKGAAQREFTGLGNCITKIFKSDGLRGLYQGFNVSVQGIIIYRAAYFGVYDTAKGM----LP-DPKNVHIIVSWMIAQTVTAVAGLVSYPFDTVRRRMMM---QSGRK--GADIMYTGTVDCWRKIAKDEGPKAFFKGAWSNVLR-GMGGAFVLVLYDEI-------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2C3E.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -70964 for 2027 contacts (-35.0/contact) +
2D Compatibility (PS) -27789 + (NN) -3712 + (LL) 2392
1D Compatibility (HY) -16800 + (ID) 3400
Total energy: -120273.0 ( -59.34 by residue)
QMean score : 0.176
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