Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MYLKETLDQFASIDNILKLLKK--NPSFNKHCIQERLPQKTIITS-NKQRKHIYIIEEGFMKLIFDDN-KPRDFSYILSKGAFPFLPVYIE-DIPEHTMMVALTDIVWWKIDIGFFKSMMEIEDPRNYLMLHQLAETRRRFYT-IAYQEKLTSRESIYYSLSTL-IEFGLRISEKVVELPEFLTYQILADHANTSKSYTSKVLGHLREDGILESQKKPWRINDVQKLQKLIEMNVPLVKIQKKLRADLHS
3KCC Chain:A ((59-257))
---------------------DPTLEWFLSHCHIHKYPSKSTLIHQGEKAETLYYIVKGSVAVLIKDEEGKEMILSYLNQGDFIGELGLFEEGQERSAWVRAKTACEVAEISYKKFRQLIQVNPDILMRLSAQMARRLQVTSEKVGNLAFLLVTGRIAQTLLNLAKQPDAMTHPD--GMQIKITRQEIGQIVGCSRETVGRILKMLEDQNLISAHGKTIVVY----------------------------
General information:
TITO was launched using:
RESULT:
Template:
3KCC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -103527 for 1353 contacts (-76.5/contact) +
2D Compatibility (PS) -20119 + (NN) -1892 + (LL) 5200
1D Compatibility (HY) -7200 + (ID) 1450
Total energy: -128988.0 ( -95.33 by residue)
QMean score : 0.400
(partial model without unconserved sides chains):
PDB file :
Tito_3KCC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KCC-query.scw
PDB file :
Tito_Scwrl_3KCC.pdb
: