Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
---MEKFNNWILNAISGSQTDKNETTEELKGAKFIILYAYSMLVLLALVISNIFIHILEPKLSITTQIIIVLILIEALIGLRFLKAYDVKRGKDKENKKNSKDFVKLKSILVAILFTSLALTAGTVADIYGFTDLGNTRSDLIVWSIGGIIFGLVCYTMEDKK
3SSC Chain:A ((2-155))
ESIQPWIEKFIKQAQQQRSQSTKDYPTSYRN------LRVKLSFGYGNFTSIPWFAFLGEGQEASNGIYPVILYYKDFDELVLAYGISDTNEPHAQWQFSSDIPKTIAEYFQATSGVYPKKYGQSYYACSQKVSQ-GIDYTRFASMLDNIINDYKLIFNSG--
General information:
TITO was launched using:
RESULT:
Template:
3SSC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -135356 for 1172 contacts (-115.5/contact) +
2D Compatibility (PS) -14999 + (NN) 7173 + (LL) 880
1D Compatibility (HY) -2400 + (ID) 550
Total energy: -145252.0 ( -123.94 by residue)
QMean score : 0.241
(partial model without unconserved sides chains):
PDB file :
Tito_3SSC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3SSC-query.scw
PDB file :
Tito_Scwrl_3SSC.pdb
: