Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSEKKGFNFNIIKNDPLDGHKGTNIGSISLDNIAPVFIDVANKEAFIDIGGMHARAKVEKGVKWITDKAAVEGDEAKEYWLCWVTTERNEQGPYYAGLTACYLLVNKAIRRGYK-SMPEHVNMMDKSMKHHIIIDQIGDENKAILKDFLMNHDEGMWKLSSDALHQAFN
3A1E Chain:A ((45-123))
-----------------------------------------------------------KGKPEVTDLVPLNGDERELLRLAAIAERRSEQPIAEA-------IVKKALEHGIELGEPEKVEVI---AGEGVVADGILVGNKRLMEDF---------------------
General information:
TITO was launched using:
RESULT:
Template:
3A1E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -15447 for 513 contacts (-30.1/contact) +
2D Compatibility (PS) -8065 + (NN) 806 + (LL) 4744
1D Compatibility (HY) -3200 + (ID) 1250
Total energy: -22412.0 ( -43.69 by residue)
QMean score : 0.248
(partial model without unconserved sides chains):
PDB file :
Tito_3A1E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3A1E-query.scw
PDB file :
Tito_Scwrl_3A1E.pdb
: