Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLLEIKDLVYK-ASDRIILDHISLKVDKGESIAIIGPSGSGKSTFQKQICNLISPTSGELYFKGKPYNDYDPEELRQRISYLMQQSDLFGETIEDNMIFPSLARNDKFDRKRAKQL------IKDVGLGHYQLSSEVENMSGGERQRIAIARQLMYTPDILLLDESTSALDVNNKEKIENIIFKLVEQDVAIMWITHSDDQSMRHFQKRITIVDGKISKVEELNQHE
3VX4 Chain:D ((35-227))
--ISFENLSYKYGFGRDTLSDINLSIKKGSKVSLVGASGSGKTTLAKLIVNFYEPNKGIVRINGNDLKVIDKTALRRHISYLPQQAYVFSGSIMDNLVLGAKEGTSQEDIIRACEIAEIRSDIEQMPQGYQTELSDGAGISGGQKQRIALARALLTQAPVLILDAATSSLDILTEKKIISNLLQMTEK--TIIFVAH------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3VX4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -59800 for 1333 contacts (-44.9/contact) +
2D Compatibility (PS) -20309 + (NN) -8571 + (LL) 2652
1D Compatibility (HY) -15200 + (ID) 3150
Total energy: -104378.0 ( -78.30 by residue)
QMean score : 0.450
(partial model without unconserved sides chains):
PDB file :
Tito_3VX4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3VX4-query.scw
PDB file :
Tito_Scwrl_3VX4.pdb
: