Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MDEQEALNSIMNDLVALQMNRRHRMPGYETMKNKDTGHSNRQSDVRIKFEHNGERRIIAFSRPVKYEDVEHKVTTVFGQPLDLHYMNNELSILLKNQDDLDKAIDILDRSSSMKSLRILLLSQDRNHNSSSPHSGVSRQVRIKASQSAGDINTIYQPPEPRSRHLSVSSQNPGRSSPPPGYVPERQQHIARQGSYTSINSEGEFIPETSEQCMLDPLSSAENSLSGSCQSLDRSADSPSFRKSRMSRAQSFPDNRQEYSDRETQLYDKGVKGGTYPRRYHVSVHHKDYSDGRRTFPRIRRHQGNLFTLVPSSRSLSTNGENMGLAVQYLDPRGRLRSADSENALSVQERNVPTKSPSAPINWRRGKLLGQGAFGRVYLCYDVDTGRELASKQVQFDPDSPETSKEVSALECEIQLLKNLQHERIVQYYGCLRDRAEKTLTIFMEYMPGGSVKDQLKAYGALTESVTRKYTRQILEGMSYLHSNMIVHRDIKGANILRDSA---GNVKLGDFGASKRLQTICMSGTGMRSVTGTPYWMSPEVISGEGYGRKADVWSLGCTVVEMLTEKPPW---AEYEAMAAIFKIATQPTNPQLPSHISEHGRDFLRRIFVEA-RQRPSAEELLTHHFAQLMY |
| 3MA6 Chain:B ((38-292)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RVLGKGSFGEVILCKDKITGQECAVKVISKRQVKQ-TDKE--SLLREVQLLKQLDHPNIMKLYEFFEDKG--YFYLVGEVYTGGELFDEIISRKRFSEVDAARIIRQVLSGITYMHKNKIVHRDLKPENLLLESKSKDANIRIIDFGLSTHFE----ASKKMKDKIGTAYYIAPEVLHGT-YDEKCDVWSTGVILYILLSGCPPFNGANEYDILKKVEKGKYTFELPQWKK-VSESAKDLIRKMLTYVPSMRISARDALDHEWIQTYT |
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General information:
TITO was launched using:
| RESULT:
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Template: 3MA6.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -84176 for 1886 contacts (-44.6/contact) +
2D Compatibility (PS) -26472 + (NN) -15170 + (LL) 17580
1D Compatibility (HY) -22000 + (ID) 4350
Total energy: -134588.0 ( -71.36 by residue)
QMean score : 0.390
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