Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSHELLRETPSQTAGPYVHIGLALAAAGNPTRDLEIWNRMAREGARGQHILLLGHVYDGNGHLVRDSFLEFWQADSEGRYQERYDPERPFNSFGRTATTFDAGEWTLHTVKPGVVRNAQGVPMAPHINVSLFARGINIHLQTRLYFDDETEANAACPVLNLIEQAPRRDTLLAQRCEVDGQLAYRFDIRIQGDNETVFFDF
4WHS Chain:E ((3-200))
---ELLPETPSQTAGPYVHIGLALEAAGNPTRDQEIWNRLAKPDAPGEHILLLGQVYDGNGHLVRDSFLEVWQADANGEYQDAYNLENAFNSFGRTATTFDAGEWTLHTVKPGVVNNAAGVPMAPHINISLFARGINIHLHTRLYFDDEAQANAKCPVLNLIEQPQRRETLIAKRCEVDGKTAYRFDIRIQGEGETVFFDF
General information:
TITO was launched using:
RESULT:
Template:
4WHS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -106396 for 1468 contacts (-72.5/contact) +
2D Compatibility (PS) -20565 + (NN) -2479 + (LL) 224
1D Compatibility (HY) -23600 + (ID) 8100
Total energy: -160916.0 ( -109.62 by residue)
QMean score : 0.505
(partial model without unconserved sides chains):
PDB file :
Tito_4WHS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4WHS-query.scw
PDB file :
Tito_Scwrl_4WHS.pdb
: