Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDKMGGPEEFIQRF-LPRELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALLQGFN----LKLTDFGFAKVLPKSHRELSQTFCGSTAYAAPEVL--QGIPHDSKKGDVWSMGVVLYVMLCASLPFDDTDIPKMLWQQQKGVSF----PTHLSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST
4BDA Chain:A ((14-284))
-----LRDEYIMSKTLGS----EVKLAFERKTCKKVAIKIISK-----------NVETEIEILKKLNHPCIIKIKNFFDAEDYYI--VLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKIL-ET--SLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQDE
General information:
TITO was launched using:
RESULT:
Template:
4BDA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -129664 for 1730 contacts (-75.0/contact) +
2D Compatibility (PS) -25711 + (NN) -11939 + (LL) 1344
1D Compatibility (HY) -20000 + (ID) 4800
Total energy: -190770.0 ( -110.27 by residue)
QMean score : 0.406
(partial model without unconserved sides chains):
PDB file :
Tito_4BDA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BDA-query.scw
PDB file :
Tito_Scwrl_4BDA.pdb
: