Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDEQEALNSIMNDLVALQMNRRHRMPGYETMKNKDTGHSNRQSDVRIKFEHNGERRIIAFSRPVKYEDVEHKVTTVFGQPLDLHYMNNELSILLKNQDDLDKAIDILDRSSSMKSLRILLLSQDRNHNSSSPHSGVSRQVRIKASQSAGDINTIYQPPEPRSRHLSVSSQNPGRSSPPPGYVPERQQHIARQGSYTSINSEGEFIPETSEQCMLDPLSSAENSLSGSCQSLDRSADSPSFRKSRMSRAQSFPDNRQEYSDRETQLYDKGVKGGTYPRRYHVSVHHKDYSDGRRTFPRIRRHQGNLFTLVPSSRSLSTNGENMGLAVQYLDPRGRLRSADSENALSVQERNVPTKSPSAPINWRRGKLLGQGAFGRVYLCYDVDTGRELASKQVQFDPDSPETSKEVSALECEIQLLKNLQHERIVQYYGCLRDRAEKTLTIFMEYMPGGSVKDQLKAYGALTESVTRKYTRQILEGMSYLHSNMIVHRDIKGANILRDSA---GNVKLGDFGASKRLQTICMSGTGMRSVTGTPYWMSPEVISGEGYGRKADVWSLGCTVVEMLTEKPPW---AEYEAMAAIFKIATQPTNPQLPSHISEHGRDFLRRIFVEA-RQRPSAEELLTHHFAQLMY |
3KU2 Chain:A ((51-309)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YKGQRVLGKGSFGEVILCKDKITGQECAVKVISKRQVKQKTDKE--SLLREVQLLKQLDHPNIMKLYEFFEDKG--YFYLVGEVYTGGELFDEIISRKRFSEVDAARIIRQVLSGITYMHKNKIVHRDLKPENLLLESKSKDANIRIIDFGLSTHFE----ASKKMKDKIGTAYYIAPEVLHGT-YDEKCDVWSTGVILYILLSGCPPFNGANEYDILKKVEKGKYTFELPQWKK-VSESAKDLIRKMLTYVPSMRISARDALDHEWIQTYT |
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General information:
TITO was launched using:
| RESULT:
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Template: 3KU2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -96914 for 1930 contacts (-50.2/contact) +
2D Compatibility (PS) -27114 + (NN) -16403 + (LL) 17292
1D Compatibility (HY) -22400 + (ID) 4350
Total energy: -149889.0 ( -77.66 by residue)
QMean score : 0.387
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