Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKKTDTPDYKPSIYSLTRDELIAWAIEHGEKKFRASQIWDWLYKKRVQSFDEMTNISKDFIALLNENFVVNPLKQRIVQESADGTVKYLFELPDGMLIETVLMRQYYGLSVCVTTQVGCNIGCTFCASGLIKKQRDLNNG------EITAQIMLVQKYFDERGQGERVSHIVVMGIGEPFDNYTNVLKFLRTVNDDNGLAIGARHITVSTSGLAHKIREFANEGVQVN--LAVSLHAPNNELRSSIMRINRSFPLEKLFAAIEYYIETTNRRVTFEYIMLNGVNDTPENAQELADLTKKIRKLSYVNLIPYNPVSEHDQYSRSPKERVEAFYDVLKKNGVNCVVRQEHGTDIDAACGQLRSNTMKRDRQKAKVGR |
3CB8 Chain:A ((23-207)) | -----------------------------------------------------------------------------------------------------------------ITFFQGCLMRCLYCHN---RDTWDTHGGKEVTVEDLMKEVVTYRHFMNASGGG------VTASGGEAILQAEFVRDWFRACKKE------GIHTCLDTNGFVRRYDPVIDELLEVTDLVMLDLKQMNDEIHQNLVGVSNHRTLE--FAK---YLANKNVKVWIRYVVVPGWSDDDDSAHRLGEFTRDMGNVEKIELLPYHELGKHKWVAMGEEYKLDGVKPPKKETMERVKGILEQYGHKVMF-------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CB8.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -76439 for 1315 contacts (-58.1/contact) +
2D Compatibility (PS) -18949 + (NN) -6750 + (LL) 11684
1D Compatibility (HY) -16000 + (ID) 1950
Total energy: -108404.0 ( -82.44 by residue)
QMean score : 0.419
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