Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTVGTLVASVLPATVFEDLAYAELYSDPPGLTPLPEEAPLIARSVAKRRNEFITVRHCARIALDQLGVPPAPILKGDKGEPCWPDGMVGSLTHCAGYRGAVVGRRDAVRSVGIDAEPHDVLPNGVLDAISLPAERADMPRTMPAALHWDRILFCAKEATYKAWFPLTKRWLGFEDAHITFETDSTGWTGRFVSRILIDGSTLSGPPLTTLRGRWSVERGLVLTAIVL
4U89 Chain:A ((23-247))
--VGTLVASVLPATVFEDLAYAELYSDPPGLTPLPEEAPLIARSVAKRRNEFITVRHCARIALDQLGVPPAPILKGDKGEPCWPDGMVGSLTHCAGYRGAVVGRRDAVRSVGIDAEPHDVLPNGVLDAISLPAERADMPRTMPAALHWDRILFCAKEATYKAWFPLTKRWLGFEDAHITFETDSTGWTGRFVSRILIDGSTLSGPPLTTLRGRWSVERGLVLTAIVL
General information:
TITO was launched using:
RESULT:
Template:
4U89.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -147764 for 1860 contacts (-79.4/contact) +
2D Compatibility (PS) -24085 + (NN) -13542 + (LL) 260
1D Compatibility (HY) -31200 + (ID) 11250
Total energy: -227581.0 ( -122.36 by residue)
QMean score : 0.445
(partial model without unconserved sides chains):
PDB file :
Tito_4U89.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4U89-query.scw
PDB file :
Tito_Scwrl_4U89.pdb
: