Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDKMGGPEEFIQRF-LPRELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALLQGFN----LKLTDFGFAKVLPKSHRELSQTFCGSTAYAAPEVL--QGIPHDSKKGDVWSMGVVLYVMLCASLPFDDTDIPKMLWQQQKGVSF----PTHLSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST
2WTI Chain:A ((14-284))
-----LRDEYIMSKTLGS----EVKLAFERKTCKKVAIKIISK--------PALNVETEIEILKKLNHPCIIKIKNFFDAEDYYI--VLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKIL-ET--SLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQDE
General information:
TITO was launched using:
RESULT:
Template:
2WTI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -123734 for 1748 contacts (-70.8/contact) +
2D Compatibility (PS) -26107 + (NN) -11886 + (LL) 992
1D Compatibility (HY) -20400 + (ID) 4800
Total energy: -185935.0 ( -106.37 by residue)
QMean score : 0.429
(partial model without unconserved sides chains):
PDB file :
Tito_2WTI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2WTI-query.scw
PDB file :
Tito_Scwrl_2WTI.pdb
: