Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLLEIKDLVYKASDRIILDHISLKVDKGESIAIIGPSGSGKSTFQKQICNLISPTSGELYFKGKPYNDYDPEELRQRISYLMQQSDLFGETIEDNMIF--PSLARNDKFDRKR---AKQLIKDVGLGHYQLSSE-VENMSGGERQRIAIARQLMYTPDILLLDESTSALDVNNKEKIENIIFKLVEQDVAIMWITHSDDQSMRHFQKRITIVDGKISKVEELNQHE
2PMK Chain:A ((13-198))
---------YKPDSPVILDNINLSIKQGEVIGIVGRSGSGKSTLTKLIQRFYIPENGQVLIDGHDLALADPNWLRRQVGVVLQDNVLLNRSIIDNISLANPGMSVEKVIYAAKLAGAHDFISELREGYNTIVGEQGAGLSGGQRQRIAIARALVNNPKILIFDEATSALDYESEHVIMRNMHKICKGRTVII-IAH------------------------------
General information:
TITO was launched using:
RESULT:
Template:
2PMK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -47064 for 1245 contacts (-37.8/contact) +
2D Compatibility (PS) -18955 + (NN) -3127 + (LL) 3532
1D Compatibility (HY) -16800 + (ID) 3250
Total energy: -85664.0 ( -68.81 by residue)
QMean score : 0.441
(partial model without unconserved sides chains):
PDB file :
Tito_2PMK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PMK-query.scw
PDB file :
Tito_Scwrl_2PMK.pdb
: