Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKFEKYIDHTLLKPESTRTQIDQIIDEAKAYNFKSVCVNPTHVKYAAERLADSEVLVCTVIGFPLGASTTATKAFETEDAIQNGADEIDMVINIGALKDGRFDDVQQDIEAVVKAAKGHTVKVIIET----VLLDHDEIVKASELTKAAGADFVKTSTGF-AGGGATAEDVKLMKDTVGADVEVKASGGVRNLEDFNKMVEAGATRIGASAGVQIMQGLEADSDY
3NG3 Chain:C ((11-226))
-QLAAFVDHTLLKPEATAADVAALVTEAAELGVYAVCVSPPMVPAAVQ--AGAGVRVASVAGFPSGKHVSAVKAHEAALAVASGAAEIDMVIDVGAALAGDLDGVRADIAAVRGAVGGAVLKVIVESSALLALADEHTLVRVCRAAEDAGADFVKTSTGFHPSGGASVRAVALMAEAVGGRLGVKASGGIRTAADALAMLDAGATRLGLSGTRAVLDGL------
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) -95743 for 1885 contacts (-50.8/contact) +
2D Compatibility (PS) -23657 + (NN) -10118 + (LL) 644
1D Compatibility (HY) -14800 + (ID) 4700
Total energy: -148374.0 ( -78.71 by residue)
QMean score : 0.568
(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
: