Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSHELLRETPSQTAGPYVHIGLALAAAGNPTRDLEIWNRMAREGARGQHILLLGHVYDGNGHLVRDSFLEFWQADSEGRYQERYDPERPFNSFGRTATTFDAGEWTLHTVKPGVVRNAQGVPMAPHINVSLFARGINIHLQTRLYFDDETEANAACPVLNLIEQAPRRDTLLAQRCEVDGQLAYRFDIRIQGDNETVFFDF
3PCH Chain:A ((3-200))
---ELLPETPSQTAGPYVHIGLALEAAGNPTRDQEIWNRLAKPDAPGEHILLLGQVYDGNGHLVRDSFLEVWQADANGEYQDAYNLENAFNSFGRTATTFDAGEWTLHTVKPGVVNNAAGVPMAPHINISLFARGINIHLHTRLYFDDEAQANAKCPVLNLIEQPQRRETLIAKRCEVDGKTAYRFDIRIQGEGETVFFDF
General information:
TITO was launched using:
RESULT:
Template:
3PCH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -99641 for 1476 contacts (-67.5/contact) +
2D Compatibility (PS) -20746 + (NN) -6751 + (LL) 224
1D Compatibility (HY) -23600 + (ID) 8100
Total energy: -158614.0 ( -107.46 by residue)
QMean score : 0.509
(partial model without unconserved sides chains):
PDB file :
Tito_3PCH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PCH-query.scw
PDB file :
Tito_Scwrl_3PCH.pdb
: