Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLSAKNLKITFNPGTPIETRALRGLSLDIPAGQFVTVIGSNGAGKSTFLNAVSGDLPIDSGQILIDDEDVT-RKPVWARANRVARVFQDPMAGTCEDLTIEENMALAQRRGAGRGLGRAVQASMRDGFRESLATLGLGLENRLGDRIGLLSGGQRQAVSLLMAALQPSRILLLDEHTAALDPRTADFVLHLTARIVAEKKLTTMMVTHSMRQALDVGERTVMLHQGQVVLDVSGEQRKGLDVPDLLAMFEKVRGEKLADDALLLG
2FGK Chain:A ((8-240))
-ITFRNIRFRYKPDSPV---ILDNINLSIKQGEVIGIVGRSGSGKSTLTKLIQRFYIPENGQVLIDGHDLALADPNWLR-RQVGVVLQD---NVLLNRSIIDNISLAN---PGMSVEKVIYAAKLAGAHDFISELREGYNTIVGEQGAGLSGGQRQRIAIARALVNNPKILIFDQATSALDYESEHVIMRNMHKIC--KGRTVIIIAHRLSTVKN-ADRIIVMEKGKIV--EQGKHKELLSEPESLYSY----------------
General information:
TITO was launched using:
RESULT:
Template:
2FGK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -129541 for 1827 contacts (-70.9/contact) +
2D Compatibility (PS) -24498 + (NN) -5006 + (LL) 2512
1D Compatibility (HY) -16800 + (ID) 3100
Total energy: -176433.0 ( -96.57 by residue)
QMean score : 0.465
(partial model without unconserved sides chains):
PDB file :
Tito_2FGK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2FGK-query.scw
PDB file :
Tito_Scwrl_2FGK.pdb
: