Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDEQEALNSIMNDLVALQMNRRHRMPGYETMKNKDTGHSNRQSDVRIKFEHNGERRIIAFSRPVKYEDVEHKVTTVFGQPLDLHYMNNELSILLKNQDDLDKAIDILDRSSSMKSLRILLLSQDRNHNSSSPHSGVSRQVRIKASQSAGDINTIYQPPEPRSRHLSVSSQNPGRSSPPPGYVPERQQHIARQGSYTSINSEGEFIPETSEQCMLDPLSSAENSLSGSCQSLDRSADSPSFRKSRMSRAQSFPDNRQEYSDRETQLYDKGVKGGTYPRRYHVSVHHKDYSDGRRTFPRIRRHQGNLFTLVPSSRSLSTNGENMGLAVQYLDPRGRLRSADSENALSVQERNVPTKSPSAPINWRRGKLLGQGAFGRVYLCYDVDTGRELASKQVQFDPDSPE-TSKEVSALECEIQLLKNLQHERIVQYYGCLRDRAEKTLTIFMEYMPGGSVKDQLKA-YGAL--TESVTRKYTRQILEGMSYLHSNMIVHRDIKGANILRDS-AGNVKLGDFGASKRLQTICMSGTGMRSVTGTPYWMSPEVISG--EGYGRKADVWSLGCTVVEMLTEKPPWAEY-EAMAAIFKIATQPTNPQLPSHISEHGRDFLRRIFV-EARQRPSAEELLTHHFAQLMY |
4BID Chain:B ((26-281)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VLGKGTYGIVYAGRDLSNQVRIAIKEI------PER----SQPLHEEIALHKHLKHKNIVQYLGSFSENG--FIKIFMEQVPGGSLSALLRSKWGPLKDNEQTIGFYTKQILEGLKYLHDNQIVHRDIKGDNVLINTYSGVLKISDFGTSKRL------------FTGTLQYMAPEIIDKGPRGYGKAADIWSLGCTIIEMATGKPPFYELGEPQAAMFKVGMFKVHPEIPESMSAEAKAFILKCFEPDPDKRACANDLLVDEFLKV-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BID.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -99194 for 1868 contacts (-53.1/contact) +
2D Compatibility (PS) -25226 + (NN) -12374 + (LL) 18008
1D Compatibility (HY) -22000 + (ID) 5250
Total energy: -146036.0 ( -78.18 by residue)
QMean score : 0.495
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