Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDEQEALNSIMNDLVALQMNRRHRMPGYETMKNKDTGHSNRQSDVRIKFEHNGERRIIAFSRPVKYEDVEHKVTTVFGQPLDLHYMNNELSILLKNQDDLDKAIDILDRSSSMKSLRILLLSQDRNHNSSSPHSGVSRQVRIKASQSAGDINTIYQPPEPRSRHLSVSSQNPGRSSPPPGYVPERQQHIARQGSYTSINSEGEFIPETSEQCMLDPLSSAENSLSGSCQSLDRSADSPSFRKSRMSRAQSFPDNRQEYSDRETQLYDKGVKGGTYPRRYHVSVHHKDYSDGRRTFPRIRRHQGNLFTLVPSSRSLSTNGENMGLAVQYLDPRGRLRSADSENALSVQERNVPTKSPSAPINWRRGKLLGQGAFGRVYLCYDVDTGRELASKQVQFDPDSPETSKEVSALECEIQLLKNLQHERIVQYYGCLRDRAEKTLTIFMEYMPGGSVKDQLKAYGALTESVTRKYTRQILEGMSYLHSNMIVHRDIKGANILRDSA---GNVKLGDFGASKRLQTICMSGTGMRSVTGTPYWMSPEVISGEGYGRKADVWSLGCTVVEMLTEKPPW---AEYEAMAAIFKIATQPTNPQLPSHISEHGRDFLRRIFVEA-RQRPSAEELLTHHFAQLMY |
4WG5 Chain:A ((28-286)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YKGQRVLGKGSFGEVILCKDKITGQECAVKVISKRQVKQKTDKE--SLLREVQLLKQLDHPNIMKLYEFFEDKG--YFYLVGEVYTGGELFDEIISRKRFSEVDAARIIRQVLSGITYMHKNKIVHRDLKPENLLLESKSKDANIRIIDFGLSTHFE----ASKKMKDKIGTAYYIAPEVLHGT-YDEKCDVWSTGVILYILLSGCPPFNGANEYDILKKVEKGKYTFELPQWKK-VSESAKDLIRKMLTYVPSMRISARDALDHEWIQTYT |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4WG5.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -82668 for 1923 contacts (-43.0/contact) +
2D Compatibility (PS) -26902 + (NN) -15250 + (LL) 17292
1D Compatibility (HY) -22400 + (ID) 4350
Total energy: -134278.0 ( -69.83 by residue)
QMean score : 0.414
|
|
|