Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKFAKEYPTTVLLVSLTTLVFLLMQLTYGSQAESSQVIFQFGGIQGDYLKAYPTNLWRLISPIFVHIGWEHFLLNGLALYFVGQMGESIWGSLRFLILYILSGLMGNIFTLFFTPHVVAAGASTSLFGVFSAIAIAGYFGKN--PYLKQVGKSYQVMILLNLFFNIFTPGVSLAGHVGGLVGGVLVAIFLTKQNGSLLFKTWQSILALMIFIIVSISLIGLSLV
3B44 Chain:A ((1-180))
----ERAGPVTWVMMIACVVVFIAMQILGDQEVMLWLAWPFDPTLKFEF--------ARYFTHALMHFSLMHILFNLLWWWYLGGAVEKRLGSGKLIVITLISALLSGYVQQKFSGPWFG-GLSGVVYALMGYVWLRGERDPQSGIYLQRGLIIFALIWIVAGWFDLFGMSMANGAHIAGLAVGLAMAFVDSL--------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3B44.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -141654 for 1471 contacts (-96.3/contact) +
2D Compatibility (PS) -17865 + (NN) -2819 + (LL) 4500
1D Compatibility (HY) -17200 + (ID) 1550
Total energy: -176588.0 ( -120.05 by residue)
QMean score : 0.251
(partial model without unconserved sides chains):
PDB file :
Tito_3B44.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3B44-query.scw
PDB file :
Tito_Scwrl_3B44.pdb
: