Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDKMGGPEEFIQRF-LPRELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALLQGFN----LKLTDFGFAKVLPKSHRELSQTFCGSTAYAAPEVL--QGIPHDSKKGDVWSMGVVLYVMLCASLPFDDTDIPKMLWQQQKGVSF----PTHLSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST
2XM9 Chain:A ((14-284))
-----LRDEYIMSKTLGS---GEVKLAFERKTCKKVAIKIISK--------PALNVETEIEILKKLNHPCIIKIKNFFDAEDYYI--VLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKILGET--SLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQDE
General information:
TITO was launched using:
RESULT:
Template:
2XM9.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -127441 for 1782 contacts (-71.5/contact) +
2D Compatibility (PS) -26387 + (NN) -12838 + (LL) 1160
1D Compatibility (HY) -20400 + (ID) 4800
Total energy: -190706.0 ( -107.02 by residue)
QMean score : 0.451
(partial model without unconserved sides chains):
PDB file :
Tito_2XM9.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2XM9-query.scw
PDB file :
Tito_Scwrl_2XM9.pdb
: