Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKFEKYIDHTLLKPESTRTQIDQIIDEAKAYNFKSVCVNPTHVKYAAERLADSEVLVCTVIGFPLGASTTATKAFETEDAIQNGADEIDMVINIGALKDGRFDDVQQDIEAVVKAAKGHTVKVIIET----VLLDHDEIVKASELTKAAGADFVKTSTGF-AGGGATAEDVKLMKDTVGADVEVKASGGVRNLEDFNKMVEAGATRIGASAGVQIMQGLEADSDY
3NG3 Chain:D ((11-225))
-QLAAFVDHTLLKPEATAADVAALVTEAAELGVYAVCVSPPMVPAAVQ--A--GVRVASVAGFPSGKHVSAVKAHEAALAVASGAAEIDMVIDVGAALAGDLDGVRADIAAVRGAVGGAVLKVIVESSALLALADEHTLVRVCRAAEDAGADFVKTSTGFHPSGGASVRAVALMAEAVGGRLGVKASGGIRTAADALAMLDAGATRLGLSGTRAVLDG-------
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) -92858 for 1871 contacts (-49.6/contact) +
2D Compatibility (PS) -23246 + (NN) -9259 + (LL) 716
1D Compatibility (HY) -14400 + (ID) 4650
Total energy: -143697.0 ( -76.80 by residue)
QMean score : 0.550
(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
: