Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKRKEIIDDVTMKRAITRITYEIIERNKNLDNIVLAGIKTRGVFLAKRIQERLKQLENLDIPVGELDTKPFRDDMKVE------VDTTTMPVDITDKDIILIDDVLYTGRTIRAAIDNLVSLGRPSRVSLAVLIDRGHRELPIRADYVGKNIPTSQFEEILVEVMEHDGYDRVSIIDPS
4P3K Chain:A ((8-177))
-----VLDEQAIRRALTRIAHEIIERNKGVDNCVLVGIKTRGIYLAKRLAERIEQIEGKPVPVGEIDITLYRDDLTVTSNKEPLVKGTDIPVDITDKKVILVDDVLYTGRTVRAGMDALMDLGRPSQIQLAVLVDRGHRELPIRADYVGKNVPTSKSERIVVQLSEVDGQDRVSIYEK-
General information:
TITO was launched using:
RESULT:
Template:
4P3K.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -100264 for 1278 contacts (-78.5/contact) +
2D Compatibility (PS) -17658 + (NN) -1958 + (LL) 744
1D Compatibility (HY) -20000 + (ID) 5200
Total energy: -144336.0 ( -112.94 by residue)
QMean score : 0.554
(partial model without unconserved sides chains):
PDB file :
Tito_4P3K.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4P3K-query.scw
PDB file :
Tito_Scwrl_4P3K.pdb
: