Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDKMGGPEEFIQRF-LPRELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALLQGFN----LKLTDFGFAKVLPKSHRELSQTFCGSTAYAAPEVL--QGIPHDSKKGDVWSMGVVLYVMLCASLPFDDTDIPKMLWQQQKGVSF----PTHLSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST
2WTD Chain:A ((14-284))
-----LRDEYIMSKTLGS----EVKLAFERKTCKKVAIKIISK--------PALNVETEIEILKKLNHPCIIKIKNFFDAEDYYI--VLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKIL--T--SLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQDE
General information:
TITO was launched using:
RESULT:
Template:
2WTD.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -137988 for 1740 contacts (-79.3/contact) +
2D Compatibility (PS) -25969 + (NN) -12169 + (LL) 1056
1D Compatibility (HY) -20400 + (ID) 4800
Total energy: -200270.0 ( -115.10 by residue)
QMean score : 0.435
(partial model without unconserved sides chains):
PDB file :
Tito_2WTD.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2WTD-query.scw
PDB file :
Tito_Scwrl_2WTD.pdb
: