Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGRSSRKDEILQAALACFSEHGVDATTIEMIRDRSGASIGSLYHHFGNKERIHGELYLAGIGQYAALLEAGFARARSAEETVRLLVTSYIDWVVANPDWARFILHSRGRVEAGELGERLRADNQAHFARIHAALAGYRAEGLFREMPDDCFASVVIGPAHDLARQWLAGRTRVALADCRELLAQVAWDSVRAA
3PAS Chain:A ((5-191))
-RDDSKRIAFLEATVREVADHGFSATSVGKIAKAAGLSPATLYIYYEDKEQLLLATFYYVSDQVIDAALDSFSRGKDLREGLRRQWHTLFRIGLERPELFRYHETFTHSAWM-T--PEIQARNESRAANLLNAVDQGKQSGLIKPVPFPLLETFMFRPIYHLVQRCLQGSFE-GTDEHIELAFNMAWDAVADR
General information:
TITO was launched using:
RESULT:
Template:
3PAS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -96722 for 1351 contacts (-71.6/contact) +
2D Compatibility (PS) -20235 + (NN) -7719 + (LL) 232
1D Compatibility (HY) -9200 + (ID) 1900
Total energy: -135544.0 ( -100.33 by residue)
QMean score : 0.552
(partial model without unconserved sides chains):
PDB file :
Tito_3PAS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PAS-query.scw
PDB file :
Tito_Scwrl_3PAS.pdb
: