Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKQILVVDDDRHILKLVGHYLRAEGFHVLEASDGVEAEKIVETEQVHLAVIDVMMPNMDGFELCQKMRASYPDIPVIMLTAKDALADKSRGFEVGTDDYVTKPFEPEELIFRIRALLRRSNQASEV----KINIGNITIDQKSYGIKIGNQERMIPVKEFELLYQLASYPGRIFTREELIERIWQRDYDGSDRTVDVHIKRLRDHFDEEK-DGIRIVTVRGVGYKLEETR
2OQR Chain:A ((5-229))
-TSVLIVEDEESLADPLAFLLRKEGFEATVVTDGPAALAEFDRAGADIVLLDLMLPGMSGTDVCKQLRAR-SSVPVIMVTARDSEIDKVVGLELGADDYVTKPYSARELIARIRAVLRRGGDDDSEMSDGVLESGPVRMDVERHVVSVNGDTITLPLKEFDLLEYLMRNSGRVLTRGQLIDRVWGADYVGDTKTLDVHVKRLRSKIEADPANPVHLVTVRGLGYKLE---
General information:
TITO was launched using:
RESULT:
Template:
2OQR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -85472 for 1566 contacts (-54.6/contact) +
2D Compatibility (PS) -24153 + (NN) -14955 + (LL) 556
1D Compatibility (HY) -19600 + (ID) 4300
Total energy: -147924.0 ( -94.46 by residue)
QMean score : 0.434
(partial model without unconserved sides chains):
PDB file :
Tito_2OQR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2OQR-query.scw
PDB file :
Tito_Scwrl_2OQR.pdb
: