Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDKMGGPEEFIQRF-LPRELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALLQGFN----LKLTDFGFAKVLPKSHRELSQTFCGSTAYAAPEVL--QGIPHDSKKGDVWSMGVVLYVMLCASLPFDDTDIPKMLWQQQKGVSF----PTHLSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST
4A9U Chain:A ((14-284))
-----LRDEYIMSKTLGS----EVKLAFERKTCKKVAIKIISK-------DPALNVETEIEILKKLNHPCIIKIKNFFDAEDYYI--VLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKIL--T--SLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQDE
General information:
TITO was launched using:
RESULT:
Template:
4A9U.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -125902 for 1745 contacts (-72.2/contact) +
2D Compatibility (PS) -25990 + (NN) -11616 + (LL) 852
1D Compatibility (HY) -20000 + (ID) 4800
Total energy: -187456.0 ( -107.42 by residue)
QMean score : 0.403
(partial model without unconserved sides chains):
PDB file :
Tito_4A9U.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4A9U-query.scw
PDB file :
Tito_Scwrl_4A9U.pdb
: