Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDEQEALNSIMNDLVALQMNRRHRMPGYETMKNKDTGHSNRQSDVRIKFEHNGERRIIAFSRPVKYEDVEHKVTTVFGQPLDLHYMNNELSILLKNQDDLDKAIDILDRSSSMKSLRILLLSQDRNHNSSSPHSGVSRQVRIKASQSAGDINTIYQPPEPRSRHLSVSSQNPGRSSPPPGYVPERQQHIARQGSYTSINSEGEFIPETSEQCMLDPLSSAENSLSGSCQSLDRSADSPSFRKSRMSRAQSFPDNRQEYSDRETQLYDKGVKGGTYPRRYHVSVHHKDYSDGRRTFPRIRRHQGNLFTLVPSSRSLSTNGENMGLAVQYLDPRGRLRSADSENALSVQERNVPTKSPSAPINWRRGKLLGQGAFGRVYLCYDVDTGRELASKQVQFDPDSPETSKEVSALECEIQLLKNLQHERIVQYYGCLRDRAEKTLTIFMEYMPGGSVKD-QLKAYGALTESVTRKYTRQILEGMSYLHSNMIVHRDIKGANILRDSAGNVKLGDFGAS-KRLQTICMSGTGMRSVTGTPYWMSPEVISGEG-----YGRKADVWSLGCTVVEMLTEKPPWAEYEAMAAIFKIA-TQPTNPQLPSHISEHGRDFLRRIFVE-ARQRPSAEELLTHHFAQLMY |
5AJQ Chain:A ((18-276)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------WEIVGELGDGAFGKVYKAKNKETGALAAAKVIE--------EEELEDYIVEIEILATCDHPYIVKLLGAYYHDGK--LWIMIEFCPGGAVDAIMLELDRGLTEPQIQVVCRQMLEALNFLHSKRIIHRDLKAGNVLMTLEGDIRLADFGVSAKNLKT----------FIGTPYWMAPEVVMCETMKDTPYDYKADIWSLGITLIEMAQIEPPHHELNPMRVLLKIAKSDPPTLLTPSKWSVEFRDFLKIALDKNPETRPSAAQLLEHPFVSSIT |
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General information:
TITO was launched using:
| RESULT:
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Template: 5AJQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -91786 for 1890 contacts (-48.6/contact) +
2D Compatibility (PS) -25773 + (NN) -14179 + (LL) 16940
1D Compatibility (HY) -21200 + (ID) 4950
Total energy: -140948.0 ( -74.58 by residue)
QMean score : 0.452
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