Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDEQEALNSIMNDLVALQMNRRHRMPGYETMKNKDTGHSNRQSDVRIKFEHNGERRIIAFSRPVKYEDVEHKVTTVFGQPLDLHYMNNELSILLKNQDDLDKAIDILDRSSSMKSLRILLLSQDRNHNSSSPHSGVSRQVRIKASQSAGDINTIYQPPEPRSRHLSVSSQNPGRSSPPPGYVPERQQHIARQGSYTSINSEGEFIPETSEQCMLDPLSSAENSLSGSCQSLDRSADSPSFRKSRMSRAQSFPDNRQEYSDRETQLYDKGVKGGTYPRRYHVSVHHKDYSDGRRTFPRIRRHQGNLFTLVPSSRSLSTNGENMGLAVQYLDPRGRLRSADSENALSVQERNVPTKSPSAPINWRRGKLLGQGAFGRVYLCYDVDTGRELASKQVQFDPDSPETSKEVSALECEIQLLKNLQHERIVQYYGCLRDRAEKTLTIFMEYMPGGSVKDQLKA-YGAL--TESVTRKYTRQILEGMSYLHSNMIVHRDIKGANILRDS-AGNVKLGDFGASKRLQTICMSGTGMRSVTGTPYWMSPEVISG--EGYGRKADVWSLGCTVVEMLTEKPPWAEY-EAMAAIFKIATQPTNPQLPSHISEHGRDFLRRIFV-EARQRPSAEELLTHHFAQLMY |
4BIB Chain:A ((26-280)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VLGKGTYGIVYAGRDLSNQVRIAIKEI------PE-------LHEEIALHKHLKHKNIVQYLGSFSENG--FIKIFMEQVPGGSLSALLRSKWGPLKDNEQTIGFYTKQILEGLKYLHDNQIVHRDIKGDNVLINTYSGVLKISDFGTSKR-----------EEFTGTLQYMAPEIIDKGPRGYGKAADIWSLGCTIIEMATGKPPFYELGEPQAAMFKVGMFKVHPEIPESMSAEAKAFILKCFEPDPDKRACANDLLVDEFLK--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BIB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -84469 for 1898 contacts (-44.5/contact) +
2D Compatibility (PS) -24514 + (NN) -11619 + (LL) 18596
1D Compatibility (HY) -21600 + (ID) 5200
Total energy: -128806.0 ( -67.86 by residue)
QMean score : 0.458
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