Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDKMGGPEEFIQRF-LPRELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALLQGFN----LKLTDFGFAKVLPKSHRELSQTFCGSTAYAAPEVL--QGIPHDSKKGDVWSMGVVLYVMLCASLPFDDTDIPKMLWQQQKGVSF----PTHLSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST
2CN8 Chain:A ((14-284))
-----LRDEYIMSKTLGS----EVKLAFERKTCKKVAIKIISK-----------NVETEIEILKKLNHPCIIKIKNFFDAEDYYI--VLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKIL--T--SLMRTLC--PTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEH---VSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQDE
General information:
TITO was launched using:
RESULT:
Template:
2CN8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -129092 for 1659 contacts (-77.8/contact) +
2D Compatibility (PS) -24766 + (NN) -8987 + (LL) 1196
1D Compatibility (HY) -20400 + (ID) 4750
Total energy: -186799.0 ( -112.60 by residue)
QMean score : 0.394
(partial model without unconserved sides chains):
PDB file :
Tito_2CN8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2CN8-query.scw
PDB file :
Tito_Scwrl_2CN8.pdb
: