Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDKMGGPEEFIQRF-LPRELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALLQGFN----LKLTDFGFAKVLPKSHRELSQTFCGSTAYAAPEVL--QGIPHDSKKGDVWSMGVVLYVMLCASLPFDDTDIPKMLWQQQKGVSF----PTHLSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST
2YCQ Chain:A ((8-278))
-----LRDEYIMSKTLGSGACGEVKLAFERKTCKKVAIKIISK-----------NVETEIEILKKLNHPCIIKIKNFFDAEDYYI--VLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKILGETS--LMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQDE
General information:
TITO was launched using:
RESULT:
Template:
2YCQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -131691 for 1769 contacts (-74.4/contact) +
2D Compatibility (PS) -26267 + (NN) -11600 + (LL) 1600
1D Compatibility (HY) -20400 + (ID) 4850
Total energy: -193208.0 ( -109.22 by residue)
QMean score : 0.413
(partial model without unconserved sides chains):
PDB file :
Tito_2YCQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2YCQ-query.scw
PDB file :
Tito_Scwrl_2YCQ.pdb
: