Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIAIGNDHVGIELKPVIVAYLQDLGHEVDDFGAFSNERTDYPEYGKKVAESVAAGKSDLGILICGSGVGISIAANKVNGIRAVVCSEPYSAKLSREHNNTNILAFGSRVVGAELAKMIVQNWLDAEFEGGRHAKRVEMIARIEDEND
3HEE Chain:A ((1-144))
MKIGIGSDHGGYNLKREIADFLKKRGYEVIDFGTHGNESVDYPDFGLKVAEAVKSGECDRGIVICGTGLGISIAANKVPGIRAAVCTNSYMARMSREHNDANILALGERVVGLDLALDIVDTWLKAEFQGGRHATRVGKIGEIE----
General information:
TITO was launched using:
RESULT:
Template:
3HEE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -99851 for 1229 contacts (-81.2/contact) +
2D Compatibility (PS) -15742 + (NN) -6925 + (LL) -128
1D Compatibility (HY) -12800 + (ID) 4350
Total energy: -139796.0 ( -113.75 by residue)
QMean score : 0.604
(partial model without unconserved sides chains):
PDB file :
Tito_3HEE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HEE-query.scw
PDB file :
Tito_Scwrl_3HEE.pdb
: