Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKLSTVIIILILEIVFHNMNYVNAQPDPKLDELNKVSDYKNNKGTMGNVMNLYTSPPVEGRGVINSRQFLSHDLIFPIEYKSYNEVKTELENTELANNYKDKKVDIFGVPYFYTCIIPKSEPDINQNFGGCCMYGGLTFNSSENERDKLITVQVTIDNRQSLGFTITTNKNMVTIQELDYKARHWLTKEKKLYEFDGSAFESGYIKFTEKNNTSFWFDLFPKKELVPFVPYKFLNIYGDNKVVDSKSIKMEVFLNTH
3MC0 Chain:B ((1-233))
-------------------------QPDPKLDELNKVSDYKSNKGTMGNVMNLYMSPPVEGRGVINSRQFLSHDLIFPIEYKSYNEVKTELENTELANNYKGKKVDIFGVPYFYTCIIPKSE-----NFGGCCMYGGLTFNSSENERDKLITVQVTIDNRQSLGFTITTNKNMVTIQELDYKARHWLTKEKKLYEFDGSAFESGYIKFTEKNNTSFWFDLFPKKELVPFVPYKFLNIYGDNKVVDSKSIKMEVFLNTH
General information:
TITO was launched using:
RESULT:
Template:
3MC0.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -79349 for 1814 contacts (-43.7/contact) +
2D Compatibility (PS) -24788 + (NN) -12421 + (LL) 2996
1D Compatibility (HY) -33600 + (ID) 11250
Total energy: -158412.0 ( -87.33 by residue)
QMean score : 0.449
(partial model without unconserved sides chains):
PDB file :
Tito_3MC0.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3MC0-query.scw
PDB file :
Tito_Scwrl_3MC0.pdb
: