Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSHELLRETPSQTAGPYVHIGLALAAAGNPTRDLEIWNRMAREGARGQHILLLGHVYDGNGHLVRDSFLEFWQADSEGRYQERYDPERPFNSFGRTATTFDAGEWTLHTVKPGVVRNAQGVPMAPHINVSLFARGINIHLQTRLYFDDETEANAACPVLNLIEQAPRRDTLLAQRCEVDGQLAYRFDIRIQGDNETVFFDF
4WHR Chain:A ((3-200))
---ELLPETPSQTAGPYVHIGLALEAAGNPTRDQEIWNRLAKPDAPGEHILLLGQVYDGNGHLVRDSFLEVWQADANGEYQDAYNLENAFNSFGRTATTFDAGEWTLHTVKPGVVNNAAGVPMAPHINISLFARGINIHLHTRLYFDDEAQANAKCPVLNLIEQPQRRETLIAKRCEVDGKTAYRFDIRIQGEGETVFFDF
General information:
TITO was launched using:
RESULT:
Template:
4WHR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -104647 for 1456 contacts (-71.9/contact) +
2D Compatibility (PS) -20739 + (NN) -4594 + (LL) 224
1D Compatibility (HY) -23600 + (ID) 8100
Total energy: -161456.0 ( -110.89 by residue)
QMean score : 0.487
(partial model without unconserved sides chains):
PDB file :
Tito_4WHR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4WHR-query.scw
PDB file :
Tito_Scwrl_4WHR.pdb
: