Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEQLEIRKLSLQIGEVPVLRDFSCKIGMGESLTIIGESGSGKTLLAKLLVGHIP-QGMTVRGNIFFKGVDLGKLTVKQWQKLRGRDIAYLVQNPMSMFNPFQKIEAHILETILSHE-KCSKRVALSKALEWMKRLNLDDAISLLKKYPFELSGGMLQRIMLATILSLDPQVIILDEPTSAVDC-HNCSTISAILQELQNNGKTLITVTHDYQLARDLGGQLLVISEGEVVEQGQTQTILSNPQHNYTKALTVQMEYEGDILNVGL
4FWI Chain:B ((38-254))
--------------------------------AIVGESASGKSTIIEAMTKTLPPNGRILSGRVLYKGKDLLTMREEELRKIRWKEIALVPQAAQQSLNPTMKVIEHFKDTVEAHGVRWSHSELIEKASEKLRMVRLNPE-AVLNSYPLQLSGGMKQRVLIALALLLDPVVLILDEPTSALDVLTQAHIIQLLKELKKMLKITLIFVTHDIAVAAELADKVAVIYGGNLVEYNSTFQIFKNPLHPYTRGLINSIMPIPGDPPSLL
General information:
TITO was launched using:
RESULT:
Template:
4FWI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -112826 for 1589 contacts (-71.0/contact) +
2D Compatibility (PS) -23628 + (NN) -20008 + (LL) 2852
1D Compatibility (HY) -15200 + (ID) 3900
Total energy: -172710.0 ( -108.69 by residue)
QMean score : 0.520
(partial model without unconserved sides chains):
PDB file :
Tito_4FWI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4FWI-query.scw
PDB file :
Tito_Scwrl_4FWI.pdb
: