Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTGHHCWGYGQDDGPSNWHKLYPIAQGDRQSPINIISSQAVYSPSLQPLELFYEACMSLSITNNGHSVQVDFNDSDDRTVVSGGPLEGPYRLKQLHFHWGKKRDMGSEHTVDGKSFPSELHLVHWNAKKYSTFGEAAAAPDGLAVVGVFLETGDEHPSMNRLTDALYMVRFKDTKAQFSCFNPKCLLPTSRHYWTYPGSLTTPPLSESVTWIVLREPIRISERQMEKFRSLLFTSEDDERIHMVDNFRPPQPLKGRVVKASFQA
3MDZ Chain:A ((24-281))
----HGWGYGQDDGPSHWHKLYPIAQGDRQSPINIISSQAVYSPSLQPLELSYEACMSLSITNNGHSVQVDFNDSDDRTVVTGGPLEGPYRLKQFHFHWGKKHDVGSEHTVDGKSFPSELHLVHWNAKKYSTFGEAASAPDGLAVVGVFLETGDEHPSMNRLTDALYMVRFKGTKAQFSCFNPKCLLPASRHYWTYPGSLTTPPLSESVTWIVLREPICISERQMGKFRSLLFTSEDDERIHMVNNFRPPQPLKGRVVKASF--
General information:
TITO was launched using:
RESULT:
Template:
3MDZ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -101602 for 2115 contacts (-48.0/contact) +
2D Compatibility (PS) -28258 + (NN) -20625 + (LL) 396
1D Compatibility (HY) -32400 + (ID) 12250
Total energy: -194739.0 ( -92.08 by residue)
QMean score : 0.523
(partial model without unconserved sides chains):
PDB file :
Tito_3MDZ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3MDZ-query.scw
PDB file :
Tito_Scwrl_3MDZ.pdb
: