Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDKMGGPEEFIQRF-LPRELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALLQGFN----LKLTDFGFAKVLPKSHRELSQTFCGSTAYAAPEVL--QGIPHDSKKGDVWSMGVVLYVMLCASLPFDDTDIPKMLWQQQKGVSF----PTHLSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST
4BDJ Chain:A ((14-284))
-----LRDEYIMSKTLG-----EVKLAFERKTCKKVAIKIISK-----------NVETEIEILKKLNHPCIIKIKNFFDAEDYYI--VLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKIL-ET--SLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQDE
General information:
TITO was launched using:
RESULT:
Template:
4BDJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -140314 for 1718 contacts (-81.7/contact) +
2D Compatibility (PS) -25605 + (NN) -11499 + (LL) 1448
1D Compatibility (HY) -20000 + (ID) 4800
Total energy: -200770.0 ( -116.86 by residue)
QMean score : 0.419
(partial model without unconserved sides chains):
PDB file :
Tito_4BDJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BDJ-query.scw
PDB file :
Tito_Scwrl_4BDJ.pdb
: