Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MADQPKPISPLKNLLAGGFGGVCLVFVGHPLDTVKVRLQTQPPSLP-GQPPMYSGTFDCFRKTLFREGITGLYRGMAAPIIGVTPMFAVCFFGFGLGKKLQQ-------KHPEDVLSYPQLFAAGMLSGVFTTGIMTPGE--RIKCLLQIQASSGESKYTGTLDCAKKLYQEFGIRGIYKGTVLTLMRDVPASGMYFMTYEWLKNIFTPEGKRVSELSAPRIL-VAGGIAGIFNWAVAIPPDVLKSRFQTAPPGKYPN----GFRDVLRELIRDEGVTSLYKGFNAVMIRAFPANAACFLGFEVAMKFLNWATPNL |
2C3E Chain:A ((2-279)) | ----DQALSFLKDFLAGGVAAAISKTAVAPIERVKLLLQVQHASKQISAEKQYKGIIDCVVRIPKEQGFLSFWRGNLANVIRYFPTQAL---NFAFKDKYKQIFLGGVDRHKQFWRYFAGNLASGGAAGATSLCFVYPLDFARTRLAADVGKGAAQREFTGLGNCITKIFKSDGLRGLYQGFNVSVQGIIIYRAAYFGVYDTAKGML-PDPKNVHIIVSWMIAQTVTAVAGL----VSYPFDTVRRRMMMQSGRKGADIMYTGTVDCWRKIAKDEGPKAFFKGAWSNVLRGMGGAFVLVLYDEI------------ |
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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) -55300 for 1878 contacts (-29.4/contact) +
2D Compatibility (PS) -26902 + (NN) -6382 + (LL) 1932
1D Compatibility (HY) -9600 + (ID) 3350
Total energy: -99602.0 ( -53.04 by residue)
QMean score : 0.181
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