Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNSAKLIDHTLLKPESTRTQIDQIIDEAKAYHFKSVCVNPTHVKYAAERLADSEVLVCTVIGFPLGASTTATKAFETEDAIQNGADEIDMVINIGALKDGRFDDVQQDIEAVVKAAKGHTVKVIIET----VLLDHDEIVKASELTKVAGADFVKTSTGF-AGGGATAEDVKLMKDTVGADVEVKASGGVRNLEDFNKMVEAGATRIGASAGVQIMQGLEADSDY
3NG3 Chain:C ((13-226))
---AAFVDHTLLKPEATAADVAALVTEAAELGVYAVCVSPPMVPAAVQ--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) -96829 for 1861 contacts (-52.0/contact) +
2D Compatibility (PS) -23355 + (NN) -9658 + (LL) 536
1D Compatibility (HY) -14000 + (ID) 4750
Total energy: -148056.0 ( -79.56 by residue)
QMean score : 0.572
(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
: