Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKFAKEYPTTVLLVSLTTLVFLLMQLTYGSQAESSQVIFQFGGIQGDYLKAYPT---NLWRLISPIFVHIGWEHFLLNGLALYFVGQMGESIWGSLRFLILYILSGLM-GNIFTLFFTPHVVAAGASTSLFGVFSAIAIAGYFGKNP----YLKQVGKSYQVMILLNLFFNIFTPGVSLAGHVGGLVGGVLVAIFLTKQNGSLLFKTWQSILALMIFIIVSISLIGLSLV
2IRV Chain:A ((4-174))
--------PVTWVMMIACVVVFIAMQIL-GDQEVMLWLAWPFD----------PTLKFEFWRYFTHALMHFSLMHILFNLLWWWYLGGAVEKRLGSGKLIVITLISALLSGYVQQKFSGPWF--GGLSGVVYALMGYVWLRGE--RDPQSGIYLQRGLIIFALIWIVAGWFD------ANGAHIAGLAVGLAMAFVDSLNAR-----------------------------
General information:
TITO was launched using:
RESULT:
Template:
2IRV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -129448 for 1237 contacts (-104.6/contact) +
2D Compatibility (PS) -15549 + (NN) -1115 + (LL) 5336
1D Compatibility (HY) -17600 + (ID) 1950
Total energy: -160326.0 ( -129.61 by residue)
QMean score : 0.227
(partial model without unconserved sides chains):
PDB file :
Tito_2IRV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IRV-query.scw
PDB file :
Tito_Scwrl_2IRV.pdb
: