Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDILKAEHLNKQIKKTKIVSDVSLEVKSGEVVGLLGPNGAGKTTTFYMICGLLEPSGGSVYLNDVDLAKYPLHKRSNLGIGYLPQESSIFKELSVEENLALAGESTFKNSKESEEKMESLLDAFNIQAIRERKGMSLSGGERRRVEIARALMKNPKFVLLDEPFAGVDPIAVIDIQRIIESLIG-LNIGVLITDHNVRETLSVCHRAYVIKSGTLLASGNANEIYENALVRKYYLGENFKV
2YYZ Chain:A ((2-225))
-PSIRVVNLKKYFGKVKAVDGVSFEVKDGEFVALLGPSGCGKTTTLLMLAGIYKPTSGEIYFDDVLVNDIPP---KYREVGMVFQNYALYPHMTVFENIAFPLRARRISKDEVEKRVVEIARKLLIDNLLDRKPTQLSGGQQQRVALARALVKQPKVLLFDEPLSNLDANLRMIMRAEIKHLQQELGITSVYVTHDQAEAMTMASRIAVFNQGKLVQYGTPDEVYDSPKNMFVASFIGNPP
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) -135031 for 1770 contacts (-76.3/contact) +
2D Compatibility (PS) -23810 + (NN) -4943 + (LL) 416
1D Compatibility (HY) -19200 + (ID) 3650
Total energy: -186218.0 ( -105.21 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
: