Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEQLEIRKLSLQIGEVPVLRDFSCKIGMGESLTIIGESGSGKTLLAKLLVGHIPQGMTVRGNIFFKGVDL--GKLTVKQWQKLRGRDIAYLVQNPMSMFNPFQKIEAHILETILSHEKCSKRVALSKALEWMKRLNLDDAISLLKKYPFELSGGMLQRIMLATILSLDPQVIILDEPTSAVDCHNCSTISAILQELQNNGKTLITVTHDYQLARDLGGQLLVISEGEVVEQGQTQTILSNPQHNYTKALTVQMEYEGDILNVGL
4YMT Chain:J ((10-235))
-----------NFGSLEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCI--NLLEEPT-KGEVFIDGVKINNGKVNINKVRQKVG-----MVFQHFNLFPHLTAIENITLAPV-KVKKMNKKEAEELAVDLLAKVGLLDKKD---QYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANEGMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEIFYRAKNERTREFLSKIL----------
General information:
TITO was launched using:
RESULT:
Template:
4YMT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -130888 for 1776 contacts (-73.7/contact) +
2D Compatibility (PS) -24812 + (NN) -20027 + (LL) 3500
1D Compatibility (HY) -22000 + (ID) 3450
Total energy: -197677.0 ( -111.30 by residue)
QMean score : 0.571
(partial model without unconserved sides chains):
PDB file :
Tito_4YMT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4YMT-query.scw
PDB file :
Tito_Scwrl_4YMT.pdb
: