Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKRSSVFSFLVAFLLVVGCSHKMDNKTVAGDVSTKAVQTAPVTTEPAPEKEEPKQEPAPVVEEKPAIESGTIIASIYFDFDKYEIKESDQETLDEIVQKAKENHMQ-VLLEGNTDEFGSSEYNQALGVKRTLSVKNALVIKGVEKDMIKTISFGESKPKCVQKTRECYRENRRVDVKLVK
2HQS Chain:H ((5-111))
------------------------------------------------------------------------NNIVYFDLDKYDIRSDFAQMLDAHANFLRSNPSYKVTVEGHADERGTPEYNISLGERRANAVKMYLQGKGVSADQISIVSYGKEKPAVLGHDEAAYSKNRRAVLVYL-
General information:
TITO was launched using:
RESULT:
Template:
2HQS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -10230 for 785 contacts (-13.0/contact) +
2D Compatibility (PS) -11400 + (NN) -4241 + (LL) 4876
1D Compatibility (HY) -4000 + (ID) 1900
Total energy: -26895.0 ( -34.26 by residue)
QMean score : 0.510
(partial model without unconserved sides chains):
PDB file :
Tito_2HQS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2HQS-query.scw
PDB file :
Tito_Scwrl_2HQS.pdb
: