Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDKMGGPEEFIQRFLPRELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALLQGFN----LKLTDFGFAKVLPKSHRELSQTFCGSTAYAAPEVL--QGIPHDSKKGDVWSMGVVLYVMLCASLPFDDTDIPKMLWQQQKGVSF----PTHLSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST
2YIQ Chain:A ((8-278))
-----LRDEYIMSKTLG----GEVKLAFERKTCKKVAIKIISK-----------VETEIEILKKLNHPCIIKIKNFFDAEDYYI--VLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKILGETS--LMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQDE
General information:
TITO was launched using:
RESULT:
Template:
2YIQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -124151 for 1739 contacts (-71.4/contact) +
2D Compatibility (PS) -25900 + (NN) -11845 + (LL) 1676
1D Compatibility (HY) -20000 + (ID) 4800
Total energy: -185020.0 ( -106.39 by residue)
QMean score : 0.431
(partial model without unconserved sides chains):
PDB file :
Tito_2YIQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2YIQ-query.scw
PDB file :
Tito_Scwrl_2YIQ.pdb
: