Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLLEIKDLVYKASDRIILDHISLKVDKGESIAIIGPSGSGKSTFQKQICNLISPTSGELYFKGKPYNDYDPEELRQRISYLMQQSDLFGETIEDNMIF--PSLARNDKFDRKR---AKQLIKDVGLGHYQLSSE-VENMSGGERQRIAIARQLMYTPDILLLDESTSALDVNNKEKIENIIFKLVEQDVAIMWITHSDDQSMRHFQKRITIVDGKISKVEELNQHE
2FGK Chain:B ((17-202))
---------YKPDSPVILDNINLSIKQGEVIGIVGRSGSGKSTLTKLIQRFYIPENGQVLIDGHDLALADPNWLRRQVGVVLQDNVLLNRSIIDNISLANPGMSVEKVIYAAKLAGAHDFISELREGYNTIVGEQGAGLSGGQRQRIAIARALVNNPKILIFDQATSALDYESEHVIMRNMHKICKGRTVII-IAH------------------------------
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) -49250 for 1239 contacts (-39.7/contact) +
2D Compatibility (PS) -19064 + (NN) -3522 + (LL) 3532
1D Compatibility (HY) -16800 + (ID) 3200
Total energy: -88304.0 ( -71.27 by residue)
QMean score : 0.440
(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
: