Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDKMGGPEEFIQRF-LPRELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALLQGFN----LKLTDFGFAKVLPKSHRELSQTFCGSTAYAAPEVL--QGIPHDSKKGDVWSMGVVLYVMLCASLPFDDTDIPKMLWQQQKGVSF----PTHLSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST
2YIR Chain:A ((8-278))
-----LRDEYIMSKTLGSGACGEVKLAFERKTCKKVAIKIISK----------LNVETEIEILKKLNHPCIIKIKNFFDAEDYYI--VLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKILGETS--LMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQDE
General information:
TITO was launched using:
RESULT:
Template:
2YIR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -136674 for 1775 contacts (-77.0/contact) +
2D Compatibility (PS) -26445 + (NN) -12568 + (LL) 1468
1D Compatibility (HY) -20800 + (ID) 4850
Total energy: -199869.0 ( -112.60 by residue)
QMean score : 0.424
(partial model without unconserved sides chains):
PDB file :
Tito_2YIR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2YIR-query.scw
PDB file :
Tito_Scwrl_2YIR.pdb
: