Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNDKSVLSCRNLSKSYDEGPQSVQVLSGVELNLLPGERVAIVGSSGSGKSTLLNMLGGLDTPSAGSVWLAGEELSALNETARGLLRNRALGFVYQFHHLLP----EFTALENVCMPL--LIGRTPIAEARQRAAELLERVGLGHRLSHKPAELSGGERQRVAIARALVNRPQLVLLDEPTGNLDQHTAQGIQELMLELSRSLQTSFLVVTHDLQLAGHMDRILRLEEGRLIAA
2FGK Chain:B ((8-222))
------ITFRNIRFRYK--PDSPVILDNINLSIKQGEVIGIVGRSGSGKSTLTKLIQRFYIPENGQVLIDGHDLALADPN---WLR-RQVGVVLQDNVLLNRSIIDNISLANPGMSVEKVIYAAKLAGAHDFISELRE--GYNTIVGEQGAGLSGGQRQRIAIARALVNNPKILIFDQATSALDYESEHVIMRNMHKICKG--RTVIIIAHRLSTVKNADRIIVMEKGKIV--
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) -111429 for 1616 contacts (-69.0/contact) +
2D Compatibility (PS) -22484 + (NN) -5939 + (LL) 1080
1D Compatibility (HY) -18800 + (ID) 3650
Total energy: -161222.0 ( -99.77 by residue)
QMean score : 0.452
(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
: