Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKFLEGLLIWLVIIVLISVAYIQFSGNIGKSKTTIPFSEFLTKLEDNDIENIVIKNQSIEGKFRDGSNFNSSGIIYSDLIKGLHDKKVKFSFSTGDSAMSIIGRLLIQWIPTFIFIGLLLFLLKQTQTGGNRTISFGKSKARLMTSGKKVTFDDVAGIDEAKEELVEIVDF-LKQRQKFQVLGGKIPKGCLLIGSPGTGKTLLARAIAGEANVPFFSISGSDFVEMFVGVGASRVRDMFDQGKKNAPCIIFIDEIDAVGRHRGIGLGGGNDEREQTLNQLLVEMDGFESNEGVIIVAATNRPDVLDPALLRPGRFDRQITISLPDINGRERILNTHIKKISIAPDVNVKTVARGTPGFSGADLANLVNESALIAARR-----------------NKKIVTMDDFEYARDKVMMGVERRSLMMTEEEKKLTAYHEAGHAIVAVNMSASDPIHKATIIPRGRALGLVMRLPETDRVSHTREKMIADITVAMGGRVAEELIFGYDKITSGASSDIKQASDLSRAMVTKWGMSDKIGPVYHNREQNVHSSDIISEDTLKLIDEEVKRVVSSCYEKAKDILTKRCKDLELIAENLLEFETLTGDEIKDILSGKKIVRNDNESKEKVRKSSL |
3HU3 Chain:B ((197-455)) | --------------------------------------------------------------------------------------------------------------------------------------------------SLNEVGYDDIGGCRKQLAQIKEMVELPLRHPALFKAIGVKPPRGILLYGPPGTGKTLIARAVANETGAFFFLINGPEIMSKLAGESESNLRKAFEEAEKNAPAIIFIDELDAIAPKREKTHG---EVERRIVSQLLTLMDGLKQRAHVIVMAATNRPNSIDPALRRFGRFDREVDIGIPDATGRLEILQIHTKNMKLADDVDLEQVANETHGHVGADLAALCSEAALQAIRKKMDLIDLEDETIDAEVMNSLAVTMDDFRWALSQSNPS-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3HU3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -150286 for 1921 contacts (-78.2/contact) +
2D Compatibility (PS) -26489 + (NN) -14893 + (LL) 25564
1D Compatibility (HY) -17200 + (ID) 5450
Total energy: -188754.0 ( -98.26 by residue)
QMean score : 0.531
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