Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNNLIEVRDLSKTFTLHQQQGVVLNVLRGLNFNVAGGECLVLHGRSGAGKSTLLRTLYGNYLPAGGSIRLRHAGDWLELVGAEPREVLAVRRQTLGYVSQFLRVIPRVATLDVVMEPALARGWSRDSAELRARSLLARLNIPERLWQLAPGTFSGGEQQRVNIARGFMVEWPILLLDEPTASLDEANRQVVLELIGEAKA-AGAALIGIFHDRAAREAVASRYLDMSQELSRQEQAHVV
2YYZ Chain:A ((2-211))
--PSIRVVNLKKYFG-------KVKAVDGVSFEVKDGEFVALLGPSGCGKTTTLLMLAGIYKPTSGEIYFDDVL----VNDI------PPKYREVGMVFQNYALYPHMTVFENIAFPLRARRISKDEVEKRVVEIARKLLIDNL-LDRKPTQLSGGQQQRVALARALVKQPKVLLFDEPLSNLDANLRMIMRAEIKHLQQELGITSVYVTHDQAEAMTMASRIAVFNQGK---------
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) -135427 for 1646 contacts (-82.3/contact) +
2D Compatibility (PS) -22266 + (NN) -5462 + (LL) 2788
1D Compatibility (HY) -10400 + (ID) 3200
Total energy: -173967.0 ( -105.69 by residue)
QMean score : 0.448
(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
: