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 |
4AOT Chain:B ((21-279)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------WEIVGELGDGAFGKVYKAKNKETGALAAAKVIE-----TKSEEELEDYIVEIEILATCDHPYIVKLLGAYYHDGK--LWIMIEFCPGGAVDAIMLELDRGLTEPQIQVVCRQMLEALNFLHSKRIIHRDLKAGNVLMTLEGDIRLADFGVSAK---------------IGTPYWMAPEVVM---PYDYKADIWSLGITLIEMAQIEPPHHELNPMRVLLKIAKSDPPTLLTPSKWSVEFRDFLKIALDKNPETRPSAAQLLEHPFVSSIT |
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General information:
TITO was launched using:
| RESULT:
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Template: 4AOT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -84076 for 1809 contacts (-46.5/contact) +
2D Compatibility (PS) -24635 + (NN) -9221 + (LL) 17324
1D Compatibility (HY) -20400 + (ID) 4800
Total energy: -125808.0 ( -69.55 by residue)
QMean score : 0.416
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