Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDKMGGPEEFIQRF-LPRELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALLQGFN----LKLTDFGFAKVLPKSHRELSQTFCGSTAYAAPEVL--QGIPHDSKKGDVWSMGVVLYVMLCASLPFDDTDIPKMLWQQQKGVSF----PTHLSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST
2YCR Chain:A ((8-278))
-----LRDEYIMSKTLGS---GEVKLAFERKTCKKVAIKIISK-----------NVETEIEILKKLNHPCIIKIKNFFDAEDYYI--VLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKILGETS--LMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQDE
General information:
TITO was launched using:
RESULT:
Template:
2YCR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -130374 for 1746 contacts (-74.7/contact) +
2D Compatibility (PS) -26047 + (NN) -11640 + (LL) 1572
1D Compatibility (HY) -20000 + (ID) 4800
Total energy: -191289.0 ( -109.56 by residue)
QMean score : 0.416
(partial model without unconserved sides chains):
PDB file :
Tito_2YCR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2YCR-query.scw
PDB file :
Tito_Scwrl_2YCR.pdb
: