Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNIILMGLPGAGKGTQASEIVKKFPIPHISTGDMFRKAIKEETELGKEAKSYMDRGELVPDEVTVGIVKERISEDDAKKGFLLDGFPRTIEQAEALNNIMSELDRNIDAVINIEVPEEELMNRLTGRRICESCGTTYHLVFNPPKVEGICDIDGGKLYQREDDNPETVANRLSVNIKQSKPILDFYDQKGVLKNIDGSKDISDVTKDVIDILDHL
4JLA Chain:A ((1-202))
MILVFLGPPGAGKGTQAKRLAKEKGFVHISTGDILREAVQKGTPLGKKAKEYMERGELVPDDLIIALIEEVFPKHG---NVIFDGFPRTVKQAEALDEMLEKKGLKVDHVLLFEVPDEVVIERLSGRRINPETGEVYHVKYNPPP-------PGVKVIQREDDKPEVIKKRLEVYREQTAPLIEYYKKKGILRIIDASKPVEEVYRQVLEVI---
General information:
TITO was launched using:
RESULT:
Template:
4JLA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -73167 for 1569 contacts (-46.6/contact) +
2D Compatibility (PS) -21663 + (NN) -11326 + (LL) 928
1D Compatibility (HY) -20400 + (ID) 4450
Total energy: -130078.0 ( -82.91 by residue)
QMean score : 0.536
(partial model without unconserved sides chains):
PDB file :
Tito_4JLA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4JLA-query.scw
PDB file :
Tito_Scwrl_4JLA.pdb
: