Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLLEIKDLVYKASDRIILDHISLKVDKGESIAIIGPSGSGKSTFQKQICNLISPTSGELYFKGKPYNDYDPEELRQRISYLMQQSDLFGETIEDNMIFPSLARNDKFDR----KRAKQ-----LIKDVGLGHYQLSSEV-ENMSGGERQRIAIARQLMYTPDILLLDESTSALDVNNKEKIENIIFKLVEQDVAIMWITHSDDQSMRHFQKRITIVDGKISKVEELNQHE
4S0F Chain:A ((504-682))
----------------VLKNINLTIPKGKTVAIVGESGSGKTTLAKLLMNFYSPEKGDILINGHSIKNISLELIRKKIAFVSQDVFIFSGTVKENLCLG----NENVDMDEIIKAAKMANAHDFIEKLPLKYDTFLNESGANLSEGQKQRLAIARALLKKPDILILDQATSNLDSITENHIKDAIYGL-EDDVTVIIIAH------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4S0F.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -44145 for 1173 contacts (-37.6/contact) +
2D Compatibility (PS) -18635 + (NN) -9654 + (LL) 4460
1D Compatibility (HY) -18800 + (ID) 3150
Total energy: -89924.0 ( -76.66 by residue)
QMean score : 0.385
(partial model without unconserved sides chains):
PDB file :
Tito_4S0F.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4S0F-query.scw
PDB file :
Tito_Scwrl_4S0F.pdb
: