Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDKMGGPEEFIQRF-LPRELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALLQGFN----LKLTDFGFAKVLPKSHRELSQTFCGSTAYAAPEVL--QGIPHDSKKGDVWSMGVVLYVMLCASLPFDDTDIPKMLWQQQKGVSF----PTHLSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST
4A9S Chain:A ((14-284))
-----LRDEYIMSKTL------EVKLAFERKTCKKVAIKIISK--------PALNVETEIEILKKLNHPCIIKIKNFFDAEDYYI--VLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKIL--T--SLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQDE
General information:
TITO was launched using:
RESULT:
Template:
4A9S.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -128366 for 1716 contacts (-74.8/contact) +
2D Compatibility (PS) -25650 + (NN) -11752 + (LL) 988
1D Compatibility (HY) -20400 + (ID) 4750
Total energy: -189930.0 ( -110.68 by residue)
QMean score : 0.419
(partial model without unconserved sides chains):
PDB file :
Tito_4A9S.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4A9S-query.scw
PDB file :
Tito_Scwrl_4A9S.pdb
: