Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLLEIKDLVYKASDRIILDHISLKVDKGESIAIIGPSGSGKSTFQKQICNLISPTSGELYFKGKPYNDYDPEELRQRISYLMQQSDLFGETIEDNMIF--PSLARNDKFDRKR---AKQLIKDVGLGHYQLSSE-VENMSGGERQRIAIARQLMYTPDILLLDESTSALDVNNKEKIENIIFKLVEQDVAIMWITHSDDQSMRHFQKRITIVDGKISKVEELNQHE
2FFA Chain:A ((17-221))
---------YKPDSPVILDNINLSIKQGEVIGIVGRSGSGKSTLTKLIQRFYIPENGQVLIDGHDLALADPNWLRRQVGVVLQDNVLLNRSIIDNISLANPGMSVEKVIYAAKLAGAHDFISELREGYNTIVGEQGAGLSGGQRQRIAIARALVNNPKILIFDEATSALDYESEHVIMRNMHKICKGRTVI--IIAARLSTVKNADRIIVMEKGKI----------
General information:
TITO was launched using:
RESULT:
Template:
2FFA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -50344 for 1461 contacts (-34.5/contact) +
2D Compatibility (PS) -21122 + (NN) -5359 + (LL) 2388
1D Compatibility (HY) -17200 + (ID) 3400
Total energy: -95037.0 ( -65.05 by residue)
QMean score : 0.460
(partial model without unconserved sides chains):
PDB file :
Tito_2FFA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2FFA-query.scw
PDB file :
Tito_Scwrl_2FFA.pdb
: