Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIAIGNDHVGIELKPVIVAYLQDLGHEVDDFGAFSNERTDYPEYGKKVAESVAAGKSDLGILICGSGVGISIAANKVNGIRAVVCSEPYSAKLSREHNNTNILAFGSRVVGAELAKMIVQNWLDAEFEGGRHAKRVEMIARIEDEND
3HE8 Chain:B ((1-144))
MKIGIGSDHGGYNLKREIADFLKKRGYEVIDFGTHGNESVDYPDFGLKVAEAVKSGECDRGIVICGTGLGISIAANKVPGIRAAVCTNSYMARMSREHNDANILALGERVVGLDLALDIVDTWLKAEFQGGRHATRVGKIGEIE----
General information:
TITO was launched using:
RESULT:
Template:
3HE8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -101850 for 1234 contacts (-82.5/contact) +
2D Compatibility (PS) -15799 + (NN) -6975 + (LL) -128
1D Compatibility (HY) -12800 + (ID) 4350
Total energy: -141902.0 ( -114.99 by residue)
QMean score : 0.598
(partial model without unconserved sides chains):
PDB file :
Tito_3HE8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HE8-query.scw
PDB file :
Tito_Scwrl_3HE8.pdb
: