Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKFLEGLLIWLVIIVLISVAYIQFSGNIGKSKTTIPFSEFLTKLEDNDIENIVIKNQSIEGKFRDGSNFNSSGIIYSDLIKGLHDKKVKFSFSTGDSAMSIIGRLLIQWIPTFIFIGLLLFLLKQTQTGGNRTISFGKSKARLMTSGKKVTFDDVAGIDEAKEELVEIVDF-LKQRQKFQVLGGKIPKGCLLIGSPGTGKTLLARAIAGEANVPFFSISGSDFVEMFVGVGASRVRDMFDQGKKNAPCIIFIDEIDAVGRHRGIGLGGGNDEREQTLNQLLVEMDGFESNEGVIIVAATNRPDVLDPALLRPGRFDRQITISLPDINGRERILNTHIKKISIAPDVNVKTVARGTPGFSGADLANLVNESALIAARR-----------------NKKIVTMDDFEYARDKVMMGVERRSLMMTEEEKKLTAYHEAGHAIVAVNMSASDPIHKATIIPRGRALGLVMRLPETDRVSHTREKMIADITVAMGGRVAEELIFGYDKITSGASSDIKQASDLSRAMVTKWGMSDKIGPVYHNREQNVHSSDIISEDTLKLIDEEVKRVVSSCYEKAKDILTKRCKDLELIAENLLEFETLTGDEIKDILSGKKIVRNDNESKEKVRKSSL |
3HU3 Chain:A ((197-455)) | --------------------------------------------------------------------------------------------------------------------------------------------------SLNEVGYDDIGGCRKQLAQIKEMVELPLRHPALFKAIGVKPPRGILLYGPPGTGKTLIARAVANETGAFFFLINGPEIMSKLAGESESNLRKAFEEAEKNAPAIIFIDELDAIAPKREKTHG---EVERRIVSQLLTLMDGLKQRAHVIVMAATNRPNSIDPALRRFGRFDREVDIGIPDATGRLEILQIHTKNMKLADDVDLEQVANETHGHVGADLAALCSEAALQAIRKKMDLIDLEDETIDAEVMNSLAVTMDDFRWALSQSNPSALRETVV------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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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) -150957 for 1913 contacts (-78.9/contact) +
2D Compatibility (PS) -26651 + (NN) -15014 + (LL) 25556
1D Compatibility (HY) -17200 + (ID) 5450
Total energy: -189716.0 ( -99.17 by residue)
QMean score : 0.540
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