Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKFAKEYPTTVLLVSLTTLVFLLMQLTYGSQAESSQVIFQFGGIQGDYLKAYPT---NLWRLISPIFVHIGWEHFLLNGLALYFVGQMGESIWGSLRFLILYILSGLM-GNIFTLFFTPHVVAAGASTSLFGVFSAIAIAGYFGKNP----YLKQVGKSYQVMILLNLFFNIFTPGVSLAGHVGGLVGGVLVAIFLTKQNGSLLFKTWQSILALMIFIIVSISLIGLSLV
3B45 Chain:A ((5-175))
--------PVTWVMMIACVVVFIAMQIL-GDQEVMLWLAWPFD----------PTLKFEFWRYFTHALMHFSLMHILFNLLWWWYLGGAVEKRLGSGKLIVITLISALLSGYVQQKFSGPWF--GGLSGVVYALMGYVWLRGE--RDPQSGIYLQRGLIIFALIWIVAGWFDLFGMSMANGAHIAGLAVGLAMAFVDSL--------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3B45.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -132872 for 1314 contacts (-101.1/contact) +
2D Compatibility (PS) -16372 + (NN) -2718 + (LL) 5420
1D Compatibility (HY) -18800 + (ID) 2000
Total energy: -167342.0 ( -127.35 by residue)
QMean score : 0.229
(partial model without unconserved sides chains):
PDB file :
Tito_3B45.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3B45-query.scw
PDB file :
Tito_Scwrl_3B45.pdb
: