Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIKAIDISHAFEK-PLYNGVNLRIKPKESLAILGVSGSGKSTLLSHLATMLKPDSGTVSLLEHQDIYALNSKKLLELRRLKVGIVFQSHYLFKGFSALENLQV---ASILAKQEINHSLLE---QLGIAHTLKQGVGELSGGQQQRLSIARVLSKKPQIIIADEPTGNLDTTSANQVISMLQNYITENEGALVLATHDEHLAFTCSQVYRLEKESLIKEK
2YYZ Chain:A ((4-201))
-IRVVNLKKYFGKVKAVDGVSFEVKDGEFVALLGPSGCGKTTTLLMLAGIYKPTSGEI----YFDDVLVND---IPPKYREVGMVFQNYALYPHMTVFENIAFPLRARRISKDEVEKRVVEIARKLLIDNLLDRKPTQLSGGQQQRVALARALVKQPKVLLFDEPLSNLDANLRMIMRAEIKHLQQELGITSVYVTHDQAEAMTMASRIAVFNQGKLVQY
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) -108915 for 1410 contacts (-77.2/contact) +
2D Compatibility (PS) -20200 + (NN) -1063 + (LL) 940
1D Compatibility (HY) -14400 + (ID) 3250
Total energy: -146888.0 ( -104.18 by residue)
QMean score : 0.472
(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
: