Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEQLEIRKLSLQIGEVPVLRDFSCKIGMGESLTIIGESGSGKTLLAKLLVGHIPQGMTVRGNIFFKGVDLGKLTVKQWQKLRGRDIAYLVQNPMSMFNPFQKIEAHILETILSHEKCSKRVALSKALEWMKRLNLDDAISLLKKYPFELSGGMLQRIMLATILSLDPQVIILDEPTSAVDCHNCSTISAILQELQN-NGKTLITVTHDYQLARDLGGQLLVISEGEVVEQGQTQTILSNPQHNYTKALTVQMEYEGDILNVGL
2IT1 Chain:A ((1-230))
MVEIKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPT---SGKIYFDEKDVTELPP------KDRNVGLVFQNW--ALYPHMTVYKNIAFPLELRK-APREEIDKKVREVAKMLHID---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) -156647 for 1880 contacts (-83.3/contact) +
2D Compatibility (PS) -25175 + (NN) -15817 + (LL) 1668
1D Compatibility (HY) -12000 + (ID) 3400
Total energy: -211371.0 ( -112.43 by residue)
QMean score : 0.592
(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
: