Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDKMGGPEEFIQRF-LPRELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALLQGFN----LKLTDFGFAKVLPKSHRELSQTFCGSTAYAAPEVL--QGIPHDSKKGDVWSMGVVLYVMLCASLPFDDTDIPKMLWQQQKGVSF----PTHLSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST
4BDE Chain:A ((14-284))
-----LRDEYIMSKTL------EVKLAFERKTCKKVAIKIISK---------ALNVETEIEILKKLNHPCIIKIKNFFDAEDYYI--VLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKIL--T--SLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQDE
General information:
TITO was launched using:
RESULT:
Template:
4BDE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -135541 for 1722 contacts (-78.7/contact) +
2D Compatibility (PS) -25537 + (NN) -11126 + (LL) 1108
1D Compatibility (HY) -20400 + (ID) 4750
Total energy: -196246.0 ( -113.96 by residue)
QMean score : 0.422
(partial model without unconserved sides chains):
PDB file :
Tito_4BDE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BDE-query.scw
PDB file :
Tito_Scwrl_4BDE.pdb
: