Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRNELEDKILAILEQHQVGVLTSVQGDYPHARYMTFLHDGLTLYTPSGKELPKTDEVRRNPHVSVLIGYESPG--SAFLEINGLASLEEDESIKERIWENISKEWFRGEDSPSFVVIKIVPEQIRILNSDDDGPDTLDLIG
3EC6 Chain:A ((3-138))
---HLKEKITTIIQGQRTGVLSTVRNDKPHSAFMMFFHEDFVLYVATDRQSKKITDIENNPNVHVLLGR---KLDEDYIEVEGLASIEEDSTLKNKFWNNSLKRWLLRPEDPNYVLIKINPDTIYYID-----PEFLR---
General information:
TITO was launched using:
RESULT:
Template:
3EC6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -63850 for 913 contacts (-69.9/contact) +
2D Compatibility (PS) -14197 + (NN) -9384 + (LL) -56
1D Compatibility (HY) -12400 + (ID) 2250
Total energy: -102137.0 ( -111.87 by residue)
QMean score : 0.500
(partial model without unconserved sides chains):
PDB file :
Tito_3EC6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3EC6-query.scw
PDB file :
Tito_Scwrl_3EC6.pdb
: