Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDRYCVFGNPIGHSKSPLIHRLFAEQTGEALVYDAQLAPLDDFPGFARRFFEQG-KGANVTVPFKEEAYRLVDELSERATRAGAVNTLIRLADGRLRGDNTDGAGLLRDLTANAGVELRGKRVLLLGAGGAVRGVLEPFLGECPAELLIANRTARKAVDLAERFADLGAVHGCGFAEVEGPFDLIVNGTSASLAGDVPPLAQSVIEPGRTVCYDMMYAKEPTAFNRWAAERGAARTLDGLGMLVEQAAEAFFLWRGVRPASAPVLETLRRQLATV
3PGJ Chain:A ((29-298))
IDQYAVFGNPINHSKSPFIHTLFARQTQQSMIYTAQCVPVDGFTEAAKHFFAQGGRGCNVTVPFKEEAYRFADRLTERARLAGAVNTLKKLDDGEILGDNTDGEGLVQDLLAQQ-VLLKGATILLIGAGGAARGVLKPLLDQQPASITVTNRTFAKAEQLAELVAAYGEVKAQAFEQLKQSYDVIINSTSASLDGELPAI-DPVIFSSRSVCYDMMYGKGYTVFNQWARQHGCAQAIDGLGMLVGQAAESFMLWRGLRPGTKQILRELRKNLEG-
General information:
TITO was launched using:
RESULT:
Template:
3PGJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -162457 for 2366 contacts (-68.7/contact) +
2D Compatibility (PS) -28878 + (NN) -10691 + (LL) 116
1D Compatibility (HY) -28000 + (ID) 7500
Total energy: -237410.0 ( -100.34 by residue)
QMean score : 0.503
(partial model without unconserved sides chains):
PDB file :
Tito_3PGJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PGJ-query.scw
PDB file :
Tito_Scwrl_3PGJ.pdb
: