Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDK-MGGPEEFIQRF-LPRELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALLQGFN----LKLTDFGFAKVLPKSHRELSQTFCGSTAYAAPEVL--QGIPHDSKKGDVWSMGVVLYVMLCASLPFDDTDIPKMLWQQQKGVSF----PTHLSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST
2CN5 Chain:A ((14-284))
-----LRDEYIMSKTLGSGACGEVKLAFERKTCKKVAIKIISKR-----------NVETEIEILKKLNHPCIIKIKNFFDAEDYYI--VLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKILGET--SLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQDE
General information:
TITO was launched using:
RESULT:
Template:
2CN5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -131835 for 1803 contacts (-73.1/contact) +
2D Compatibility (PS) -26250 + (NN) -11116 + (LL) 1540
1D Compatibility (HY) -20400 + (ID) 4850
Total energy: -192911.0 ( -106.99 by residue)
QMean score : 0.430
(partial model without unconserved sides chains):
PDB file :
Tito_2CN5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2CN5-query.scw
PDB file :
Tito_Scwrl_2CN5.pdb
: