Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIKEIINVVHGTFTQLRSLVMIFGHAFRKRDTLQYPEEPVYLPPRYRGRIVLTRDPDGEERCVACNLCAVACPVGCISLQKAETE------DGRWYPEFFRINFSRCIFCGLCEEACPTTAIQLTPDFEMGEFKRQDLVYEKHDLLISGPGKNPDYNYYRVAGMAIAGKPKGAAQNEAEPINVKSLLP
2FUG Chain:P ((26-145))
----------------------------------YPDAPVALKPRFHGRHVLTRHPNGLEKCIGCSLCAAACPAYAIYVEPAENDPENPVSAGERYAKVYEINMLRCIFCGLCEEACPTGAIVLGYDFEMADYEYSDLVYGKEDMLVDVVGTKP----------------------------------
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) -62815 for 769 contacts (-81.7/contact) +
2D Compatibility (PS) -12169 + (NN) -9536 + (LL) 5196
1D Compatibility (HY) -12400 + (ID) 3050
Total energy: -94774.0 ( -123.24 by residue)
QMean score : 0.421
(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
: