Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRIGHGYDVHRFGEGDFITLGGVRIPHKHGLVAHSDGDVLLHALSDALLGAAALGDIGKHFPDTDPRFKGADSRALLRHVVAIVAEKGWKVGNVDATIVAQAPKMAPHIETMRGLIAEDLGVAVDQVNVKATTTERLGFTGREEGIAVHAVALLMAR
3ESJ Chain:A ((7-161))
MRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDALLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVTIIAQAPKMLPHIPQMRVFIAEDLGCHMDDVNVKATTTEKLGFTGRGEGIACEAVALLI--
General information:
TITO was launched using:
RESULT:
Template:
3ESJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -121516 for 1308 contacts (-92.9/contact) +
2D Compatibility (PS) -17165 + (NN) -12679 + (LL) 244
1D Compatibility (HY) -17200 + (ID) 5550
Total energy: -173866.0 ( -132.93 by residue)
QMean score : 0.528
(partial model without unconserved sides chains):
PDB file :
Tito_3ESJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3ESJ-query.scw
PDB file :
Tito_Scwrl_3ESJ.pdb
: