Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLSAKNLKITFNPGTPIETRALRGLSLDIPAGQFVTVIGSNGAGKSTFLNAVSGDLPIDSGQILIDDEDVTRKPVWARANRVARVFQDPMAGTCEDLTIEENMALAQRRGAGRGLGRAVQASMRDGFRESLATLGLGLENRLGDRIGLLSGGQRQAVSLLMAALQPSRILLLDEHTAALDPRTADFVLHLTARIVAEKKLTTMMVTHSMRQALDVGERTVMLHQGQVVLDVSGEQRKGLDVPDLLAMFEKVRGEKLADDALLLG
2YYZ Chain:A ((3-220))
SIRVVNLKKYFGK-----VKAVDGVSFEVKDGEFVALLGPSGCGKTTTLLMLAGIYKPTSGEIYFDDVLVNDIPPK--YREVGMVFQNYAL--YPHMTVFENIAFPLRARRI---S---KDEVEKRVVEIARKL--LIDNLLDRKPTQLSGGQQQRVALARALVKQPKVLLFDEPLSNLDANLRMIMRAEIKHLQQELGITSVYVTHDQAEAMTMASRIAVFNQGKLVQYGTPDE-----------------------------
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) -128299 for 1713 contacts (-74.9/contact) +
2D Compatibility (PS) -23777 + (NN) -9351 + (LL) 2744
1D Compatibility (HY) -13600 + (ID) 3100
Total energy: -175383.0 ( -102.38 by residue)
QMean score : 0.518
(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
: