Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKRSSVFSFLVAFLLVVGCSHKMDNKTVAGDVSTKAVQTAPVTTEPAPEKEEPKQEPAPVVEEKPAIESGTIIASIYFDFDKYEIKESDQETLDEIVQKAKEN-HMQVLLEGNTDEFGSSEYNQALGVKRTLSVKNALVIKGVEKDMIKTISFGESKPKCVQKTRECYRENRRVDVKLVK
4PWT Chain:A ((29-127))
---------------------------------------------------------------------------VYFGFDKYDIGSDFAQMLDAHAAFLRSNPSDKVVVEGHADERGTPEYNIALGERRASAVKMYLQGKGVSADQISIVSYGKEKPAVLGHDEAAFAKNRRAVLVY--
General information:
TITO was launched using:
RESULT:
Template:
4PWT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -2362 for 697 contacts (-3.4/contact) +
2D Compatibility (PS) -10414 + (NN) -4623 + (LL) 5248
1D Compatibility (HY) -4000 + (ID) 1900
Total energy: -18051.0 ( -25.90 by residue)
QMean score : 0.445
(partial model without unconserved sides chains):
PDB file :
Tito_4PWT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4PWT-query.scw
PDB file :
Tito_Scwrl_4PWT.pdb
: