Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRTPIIAGNWKMNKTVQEAKDF--VNALPTLPDSKEVESVICAPAIQLDALTTAVKEGKAQGLEIGAQNTYFEDNGAFTGETSPVALADLGVKYVVIGHSERRELFHETDEEINKKAHAIFKHGMTPIICVGETDEERESGKANDVVGEQVKKAVAGLSEDQLKSVVIAYEPIWAIGTGKSSTSEDANEMCAFVRQTIADLSSKEVSEATRIQYGGSVKPNNIKEYMAQTDIDGALVGGASLKVEDFVQLLEGAK
3KXQ Chain:A ((28-270))
---PFIAGNWKMNGTGESLGELRAIAAGIS----RLFEALICVPA---TLLSRAFDILGGENILLGGQNCHFDDYGPYTGDISAFMLKEAGASHVIIGHSERRTVYQESDAIVRAKVQAAWRAGLVALICVGETLEERKSNKVLDVLTRQLEGSLP--DGATAENIIIAYEPVW--------TSADVAEVHAFIHHKMHSRFGDEGAK-IRLLYGGSVKPSNAFELLSTAHVNGALIGGASLKAIDFLTICD---
General information:
TITO was launched using:
RESULT:
Template:
3KXQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -81502 for 1910 contacts (-42.7/contact) +
2D Compatibility (PS) -25129 + (NN) -14410 + (LL) 1040
1D Compatibility (HY) -17600 + (ID) 4500
Total energy: -142101.0 ( -74.40 by residue)
QMean score : 0.556
(partial model without unconserved sides chains):
PDB file :
Tito_3KXQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KXQ-query.scw
PDB file :
Tito_Scwrl_3KXQ.pdb
: