Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQLSHRPAETGDLETVAGFPQDRDELFYCYPKAIWPFSVAQLAAAIAERRGSTVAVHDGQVLGFANFYQWQHGDFCALGNMMVAPAARGLGVARYLIGVMENLAREQYKARLMKISCFNANAAGLLLYTQLGYQPRAIAERHDPDGRRVALIQMDKPLEP
4OAE Chain:A ((3-161))
MQLSHRPAETGDLETVAGFPQDRDELFYAYPKAIWPFSVAQLAAAIAERRGSTVAVHDGQVLGFANFYQWQHGDFCALGNMMVAPAARGLGVARYLIGVMENLAREQYKARLMKISAFNANAAGLLLATQLGYQPRAIAERHDPDGRRVALIQMDKPLE-
General information:
TITO was launched using:
RESULT:
Template:
4OAE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -117646 for 1248 contacts (-94.3/contact) +
2D Compatibility (PS) -17125 + (NN) -10143 + (LL) -140
1D Compatibility (HY) -20000 + (ID) 7800
Total energy: -172854.0 ( -138.50 by residue)
QMean score : 0.475
(partial model without unconserved sides chains):
PDB file :
Tito_4OAE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4OAE-query.scw
PDB file :
Tito_Scwrl_4OAE.pdb
: