Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLLEIKDLVYK-ASDRIILDHISLKVDKGESIAIIGPSGSGKSTFQKQICNLISPTSGELYFKGKPYNDYDPEELRQRISYLMQQSDLFGETIEDNMIFPSLARNDKFDRKRAKQL------IKDVGLGHYQLSSEVENMSGGERQRIAIARQLMYTPDILLLDESTSALDVNNKEKIENIIFKLVEQDVAIMWITHSDDQSMRHFQKRITIVDGKISKVEELNQHE
3VX4 Chain:A ((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) -52385 for 1331 contacts (-39.4/contact) +
2D Compatibility (PS) -20165 + (NN) -7693 + (LL) 2652
1D Compatibility (HY) -15200 + (ID) 3150
Total energy: -95941.0 ( -72.08 by residue)
QMean score : 0.432
(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
: