Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKFEKYIDHTLLKPESTRTQIDQIIDEAKAYNFKSVCVNPTHVKYAAERLADSEVLVCTVIGFPLGASTTATKAFETEDAIQNGADEIDMVINIGALKDGRFDDVQQDIEAVVKAAKGHTVKVIIETVLLDH----DEIVKASELTKAAGADFVKTSTGFAG-GGATAEDVKLMKDTVGADVEVKASGGVRNLEDFNKMVEAGATRIGASAGVQIMQGLEADSDY
3NDO Chain:A ((11-229))
AQVAALVDHTLLKPEATPSDVTALVDEAADLGVFAVCVSPPLVSVAAGVAP-SGLAIAAVAGFPSGKHVPGIKATEAELAVAAGATEIDMVIDVGAALAGDLDAVSADITAVRKAVRAATLKVIVESAALLEFSGEPLLADVCRVARDAGADFVKTSTGFHPSGGASVQAVEIMARTVGERLGVKASGGIRTAEQAAAMLDAGATRLGLSGSRAVLDGFG-----
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) -106234 for 1957 contacts (-54.3/contact) +
2D Compatibility (PS) -24154 + (NN) -12382 + (LL) -20
1D Compatibility (HY) -14800 + (ID) 4600
Total energy: -162190.0 ( -82.88 by residue)
QMean score : 0.598
(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
: