Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MANTDRPALPHKRAVPPSRADSGPRRRRTKLLDAVAGFGVTLGSMFKKTVTEEYPERPGPVAARYHGRHQLNRYPDGLEKCIGCELCAWACPADAIYVEGADNTEEERFSPGERYGRVYQINYLRCIGCGLCIEACPTRALTMTYDYELADDNRADLIYEKDRLLAPLLPEMAAPPHPRTPGATDKDYYLGNVTAEGLRGVRESQTTGDSR
2FUG Chain:P ((26-163))
-----------------------------------------------------YPDAPVALKPRFHGRHVLTRHPNGLEKCIGCSLCAAACPAYAIYVEPAENDPENPVSAGERYAKVYEINMLRCIFCGLCEEACPTGAIVLGYDFEMADYEYSDLVYGKEDMLVDVV---GTKPQRREAKRTGKPVKVGYVV-----------------
General information:
TITO was launched using:
RESULT:
Template:
2FUG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -63787 for 972 contacts (-65.6/contact) +
2D Compatibility (PS) -14492 + (NN) -9162 + (LL) 3472
1D Compatibility (HY) -15200 + (ID) 3650
Total energy: -102819.0 ( -105.78 by residue)
QMean score : 0.285
(partial model without unconserved sides chains):
PDB file :
Tito_2FUG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2FUG-query.scw
PDB file :
Tito_Scwrl_2FUG.pdb
: