Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSHELLRETPSQTAGPYVHIGLALAAAGNPTRDLEIWNRMAREGARGQHILLLGHVYDGNGHLVRDSFLEFWQADSEGRYQERYDPERPFNSFGRTATTFDAGEWTLHTVKPGVVRNAQGVPMAPHINVSLFARGINIHLQTRLYFDDETEANAACPVLNLIEQAPRRDTLLAQRCEVDGQLAYRFDIRIQGDNETVFFDF
3PCK Chain:A ((3-200))
---ELLPETPSQTAGPYVHIGLALEAAGNPTRDQEIWNRLAKPDAPGEHILLLGQVYDGNGHLVRDSFLEVWQADANGEYQDAYNLENAFNSFGRTATTFDAGEWTLHTVKPGVVNNAAGVPMAPHINISLFARGINIHLHTRLYFDDEAQANAKCPVLNLIEQPQRRETLIAKRCEVDGKTAYRFDIRIQGEGETVFFDF
General information:
TITO was launched using:
RESULT:
Template:
3PCK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -99269 for 1456 contacts (-68.2/contact) +
2D Compatibility (PS) -20740 + (NN) -4434 + (LL) 224
1D Compatibility (HY) -23600 + (ID) 8100
Total energy: -155919.0 ( -107.09 by residue)
QMean score : 0.505
(partial model without unconserved sides chains):
PDB file :
Tito_3PCK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PCK-query.scw
PDB file :
Tito_Scwrl_3PCK.pdb
: