Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQIEFKNVSKVY-PNGHVGLKNINLNIEKGEFAVIVGLSGAGKSTLLRSVNRLHDITSGEIFIQGKSITKAHGKALLEMRRNIGMIFQHFNLVKRSSVLRNVLSGRVGYHPTWKMVLGLFPKEDKIKAMDALERVNILDKYN----QRSDELSGGQQQRISIARALCQESEIILADEPVASLDPLTTKQVMDDLRKINQELGITILINLHFVDLAKEYGTRIIGLRDGEVVYDGPASE---ATDDVFSEIYGRTIKEDEKLGVN
2FGK Chain:A ((8-242))
---ITFRNIRFRYKPDSPVILDNINLSIKQGEVIGIVGRSGSGKSTLTKLIQRFYIPENGQVLIDGHDLALADPNWL---RRQVGVVLQDNVLLNR-SIIDNISLANPGMS-----VEKVIYAAKLAGAHDFISELR--EGYNTIVGEQGAGLSGGQRQRIAIARALVNNPKILIFDQATSALDYESEHVIMRNMHKICK--GRTVIIIAHRLSTVKN-ADRIIVMEKGKIVEQGKHKELLSEPESLYSYLY-------------
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) -109198 for 1759 contacts (-62.1/contact) +
2D Compatibility (PS) -23716 + (NN) -1086 + (LL) 2412
1D Compatibility (HY) -17600 + (ID) 3900
Total energy: -153088.0 ( -87.03 by residue)
QMean score : 0.512
(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
: