Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDKMGGPEEFIQRF-LPRELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALLQGFN----LKLTDFGFAKVLPKSHRELSQTFCGSTAYAAPEVL--QGIPHDSKKGDVWSMGVVLYVMLCASLPFDDTDIPKMLWQQQKGVSF----PTHLSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST
4BDF Chain:A ((14-284))
-----LRDEYIMSKTLG----GEVKLAFERKTCKKVAIKIISK-----------NVETEIEILKKLNHPCIIKIKNFFDAEDYYI--VLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKILGET--SLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQDE
General information:
TITO was launched using:
RESULT:
Template:
4BDF.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -133522 for 1747 contacts (-76.4/contact) +
2D Compatibility (PS) -25882 + (NN) -12451 + (LL) 1616
1D Compatibility (HY) -20000 + (ID) 4800
Total energy: -195039.0 ( -111.64 by residue)
QMean score : 0.436
(partial model without unconserved sides chains):
PDB file :
Tito_4BDF.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BDF-query.scw
PDB file :
Tito_Scwrl_4BDF.pdb
: