Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSAKAIDYRTRLSDFMTEHVFGAEADYDDYRRAAGPADHTAPPIIEELKTKAKDRGLWNLFLSA---ESGLTNLEYAPLAEMTGWSMEIAPEALNCAAPDTGNMEILHMFGTEQQRAQWLRPLLDGKIRSAFSMTEPAVASSDARNIETTISRDGADYVINGRKWWTSGAADPRCKILIVMGRTNPDA--AAHQQQSMVLVPIDTPGVTIVRSTPVFGWQDRHGHCEIDYHNVRVPATNLLGEEGSGFAIAQARLGPGRIHHCMRALGAAERALALMVNRVRNRVAFGRPLAEQGVVQQAIAQSRNEIDQARLLCEKAAWTIDQHGNKEARHLVAMIKAVAPRVACDVIDRAIQVHGAAGVSDDTPLARLYGWHRAMRIFDGPDEVHLRSIARAELSREKSTFAAAVT |
4P13 Chain:A ((7-386)) | FTEQQKEFQATARKFAREEIIPVAAEYDKTG-----------EYPVPLIRRAWELGLMNTHIPENCGGLGLGTFDACLISEELAYGCTGVQTA---IEGNSLGQMPIIIAGNDQQKKKYLGRMTEEPLMCAYCVTEPG-AGSDVAGIKTKAEKKGDEYIINGQKMWITNGGK--ANWYFLLARSDPDPKAPANKAFTGFIVEADTPGIQIGRKELNMGQRC-SDTRGIVFEDVKVPKENVLIGDGAGFKVAMGAFDKTRPVVAAGAVGLAQRALDEATKYALERKTFGKLLVEHQAISFMLAEMAMEVELARMSYQRAAWEVDSGR--RNTYYASIAKAFAGDIANQLATDAVQILGGNGFNTEYPVEKLMRDAKIYQIYEGTSQIQRLIVAREHIDKYK-------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4P13.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -169297 for 3401 contacts (-49.8/contact) +
2D Compatibility (PS) -40993 + (NN) -20035 + (LL) 1464
1D Compatibility (HY) -16000 + (ID) 4550
Total energy: -249411.0 ( -73.33 by residue)
QMean score : 0.461
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