Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKQILVVDDDRHILKLVGHYLRAEGFHVLEASDGVEAEKIVETEQVHLAVIDVMMPNMDGFELCQKMRASYPDIPVIMLTAKDALADKSRGFEVGTDDYVTKPFEPEELIFRIRALLRRS----NQASEVKINIGNITIDQKSYGIKIGNQERMIPVKEFELLYQLASYPGRIFTREELIERIWQRDYDGSDRTVDVHIKRLRDHFDEE-KDGIRIVTVRGVGYKLEETR
2OQR Chain:A ((6-229))
--SVLIVEDEESLADPLAFLLRKEGFEATVVTDGPAALAEFDRAGADIVLLDLMLPGMSGTDVCKQLRARS-SVPVIMVTARDSEIDKVVGLELGADDYVTKPYSARELIARIRAVLRRGGDDDSEMSDGVLESGPVRMDVERHVVSVNGDTITLPLKEFDLLEYLMRNSGRVLTRGQLIDRVWGADYVGDTKTLDVHVKRLRSKIEADPANPVHLVTVRGLGYKLE---
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) -94163 for 1537 contacts (-61.3/contact) +
2D Compatibility (PS) -23863 + (NN) -12936 + (LL) 388
1D Compatibility (HY) -19200 + (ID) 4350
Total energy: -154124.0 ( -100.28 by residue)
QMean score : 0.420
(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
: