Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLLEIKDLVYKASDRIILDHISLKVDKGESIAIIGPSGSGKSTFQKQICNLISPTSGELYFKGKPYNDYDPEELRQRISYLMQQSDLFGETIEDNMIF--PSLARNDKFDRKR---AKQLIKDVGLGHYQLSSE-VENMSGGERQRIAIARQLMYTPDILLLDESTSALDVNNKEKIENIIFKLVEQDVAIMWITHSDDQSMRHFQKRITIVDGKISKVEELNQHE
3B5J Chain:A ((13-198))
---------YKPDSPVILDNINLSIKQGEVIGIVGRAGSGKSTLTKLIQRFYIPENGQVLIDGHDLALADPNWLRRQVGVVLQDNVLLNRSIIDNISLANPGMSVEKVIYAAKLAGAHDFISELREGYNTIVGEQGAGLSGGQRQRIAIARALVNNPKILIFDEATSALDYESEHVIMRNMHKICKGRTVII-IAH------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3B5J.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -42142 for 1254 contacts (-33.6/contact) +
2D Compatibility (PS) -18725 + (NN) -2544 + (LL) 3532
1D Compatibility (HY) -16800 + (ID) 3200
Total energy: -79879.0 ( -63.70 by residue)
QMean score : 0.433
(partial model without unconserved sides chains):
PDB file :
Tito_3B5J.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3B5J-query.scw
PDB file :
Tito_Scwrl_3B5J.pdb
: