Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEQLEIRKLSLQIGEVPVLRDFSCKIGMGESLTIIGESGSGKTLLAKLLVG-HIPQGMTVRGNIFFKGVDLGKLTVKQWQKLRGRDIAYLVQNPMSMFNPFQKIEAHILETILSHEKCSKRVALSKALEWMKRLNLDDAISLLKKYPFELSGGMLQRIMLATILSLDPQVIILDEPTSAVDCHNCSTISAILQELQNN-GKTLITVTHDYQLARDLGGQLLVISEGEVVEQGQTQTILSNPQHNYTKALTVQMEYEGDILNVGL
2IT1 Chain:A ((1-229))
MVEIKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTS----GKIYFDEKDVTELPPKD------RNVGLVFQN-WALY-PHMTVYKNIAFP-LELRKAPREEIDKKVREVAKMLHID---KLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYKPKYKFVGGFLGNPPMNFVEAKVED
General information:
TITO was launched using:
RESULT:
Template:
2IT1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -151346 for 1841 contacts (-82.2/contact) +
2D Compatibility (PS) -24660 + (NN) -14251 + (LL) 1252
1D Compatibility (HY) -12800 + (ID) 3600
Total energy: -205405.0 ( -111.57 by residue)
QMean score : 0.607
(partial model without unconserved sides chains):
PDB file :
Tito_2IT1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IT1-query.scw
PDB file :
Tito_Scwrl_2IT1.pdb
: