Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKFEKYIDHTLLKPESTRTQIDQIIDEAKAYNFKSVCVNPTHVKYAAERLADSEVLVCTVIGFPLGASTTATKAFETEDAIQNGADEIDMVINIGALKDGRFDDVQQDIEAVVKAAKGHTVKVIIETVLL----DHDEIVKASELTKAAGADFVKTSTGF-AGGGATAEDVKLMKDTVGADVEVKASGGVRNLEDFNKMVEAGATRIGASAGVQIMQGLEADSDY
3NDO Chain:A ((12-228))
-QVAALVDHTLLKPEATPSDVTALVDEAADLGVFAVCVSPPLVSVAAG-VAPSGLAIAAVAGFPSGKHVPGIKATEAELAVAAGATEIDMVIDVGAALAGDLDAVSADITAVRKAVRAATLKVIVESAALLEFSGEPLLADVCRVARDAGADFVKTSTGFHPSGGASVQAVEIMARTVGERLGVKASGGIRTAEQAAAMLDAGATRLGLSGSRAVLDGF------
General information:
TITO was launched using:
RESULT:
Template:
3NDO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -104237 for 1931 contacts (-54.0/contact) +
2D Compatibility (PS) -24041 + (NN) -13002 + (LL) 468
1D Compatibility (HY) -16000 + (ID) 4650
Total energy: -161462.0 ( -83.62 by residue)
QMean score : 0.566
(partial model without unconserved sides chains):
PDB file :
Tito_3NDO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NDO-query.scw
PDB file :
Tito_Scwrl_3NDO.pdb
: