Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLGQPTRAQLAALVDHTLLKPETTRADVAALVAEAAELGVYAVCVSPSMVPVAVQAGGVRVAAVTGFPSGKHVSSVKAHEAAAALASGASEIDMVIDIGAALCGDIDAVRSDIEAVRAAAAGAVLKVIVESAVLLGQSNAHTLVDACRAAEDAGADFVKTSTGCHPAGGATVRAVELMAETVGPRLGVKASGGIRTAADAVAMLNAGATRLGLSGTRAVLDGLS
3NG3 Chain:D ((7-225))
----PTRAQLAAFVDHTLLKPEATAADVAALVTEAAELGVYAVCVSPPMVPAAVQAG-VRVASVAGFPSGKHVSAVKAHEAALAVASGAAEIDMVIDVGAALAGDLDGVRADIAAVRGAVGGAVLKVIVESSALLALADEHTLVRVCRAAEDAGADFVKTSTGFHPSGGASVRAVALMAEAVGGRLGVKASGGIRTAADALAMLDAGATRLGLSGTRAVLDG--
General information:
TITO was launched using:
RESULT:
Template:
3NG3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -158620 for 2004 contacts (-79.2/contact) +
2D Compatibility (PS) -24823 + (NN) -18816 + (LL) 308
1D Compatibility (HY) -23600 + (ID) 8950
Total energy: -234501.0 ( -117.02 by residue)
QMean score : 0.607
(partial model without unconserved sides chains):
PDB file :
Tito_3NG3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NG3-query.scw
PDB file :
Tito_Scwrl_3NG3.pdb
: