Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSHESIEKNLNFVKKLNNVNDSVLKIENLALAYDNKKVLDGINISIEKGDIVTILGPNGGGKTSLMKVVAGISKNYTGSVIFADNIKISYMP----------QNFSISKLMPITVEYFLLNSFSKKLKKN--QSVITEVIELVGIGSILKNQVLEISAGQMQLLLLAHCLIAEPDLIILDEPVSAMDINARAKFYDIIGEIAKKRLISILMTSHDLSSIVPCSDYIICINHTIYCQGKPGKIMEDRTLGEIFSSYIAK
2YYZ Chain:A ((4-224))
-----------------------IRVVNLKKYFGKVKAVDGVSFEVKDGEFVALLGPSGCGKTTTLLMLAGIYKPTSGEIYF-DDVLVNDIPPKYREVGMVFQNYALYPHMTV-FENIAFPLRARRISKDEVEKRVVEIARKLLIDNLLDRKPTQLSGGQQQRVALARALVKQPKVLLFDEPLSNLDANLRMIMRAEIKHLQQELGITSVYVTHDQAEAMTMASRIAVFNQ--------GKLVQYGTPDEVYDSPKNM
General information:
TITO was launched using:
RESULT:
Template:
2YYZ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -199190 for 1586 contacts (-125.6/contact) +
2D Compatibility (PS) -22589 + (NN) -8910 + (LL) 1828
1D Compatibility (HY) -13600 + (ID) 2800
Total energy: -245261.0 ( -154.64 by residue)
QMean score : 0.500
(partial model without unconserved sides chains):
PDB file :
Tito_2YYZ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2YYZ-query.scw
PDB file :
Tito_Scwrl_2YYZ.pdb
: