Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKRKEIIDDVTMKRAITRITYEIIERNKNLDNIVLAGIKTRGVFLAKRIQERLKQLENLDIPVGELDTKPFRDDMKVE--VDTTTMPVDITDKDIILIDDVLYTGRTIRAAIDNLVSLGRPSRVSLAVLIDRGHRELPIRADYVGKNIPTSQFEEILVEVMEHDGYDRVSIIDPS
4P81 Chain:B ((8-179))
-----VLDEQAIRRALTRIAHEIIERNKGVDNCVLVGIKTRGIYLAKRLAERIEQIEGKKVPVGELDITLYRD-----PLVKGTDIPVDITDKKVILVDDVLYTGRTVRAAMDALMDLGRPSQIQLAVLVDRGHRELPIRADYVGKNVPTSKSERIVVQLSEVDGQDRVSIYEK-
General information:
TITO was launched using:
RESULT:
Template:
4P81.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -112771 for 1300 contacts (-86.7/contact) +
2D Compatibility (PS) -17506 + (NN) -4715 + (LL) 892
1D Compatibility (HY) -19600 + (ID) 5200
Total energy: -158900.0 ( -122.23 by residue)
QMean score : 0.539
(partial model without unconserved sides chains):
PDB file :
Tito_4P81.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4P81-query.scw
PDB file :
Tito_Scwrl_4P81.pdb
: