Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDNALVRLTQVGVSFNGQAVLSDVDLAIEPGQIVTLIGPNGAGKTTLVRSVLGLLKPHVGEVWRR---------PRLTIGYMPQKLHVDATLPLSVLRFLRLVPGV-------KREQALAALREVGAAHVLERPLQSISGGELQRVLLARALLRKPELLVLDEPVQGVDVAGQAELYRLIGKLRDRYGCGVLMVSHDLHLVMSATDQVVCLNRHVC-CSGHPEQVSGDPAFVELFGQDARSLAIYHHHHDHAHDLHGEVVKAGPGALPPGTRFTPVHKHGPDCNHG
2YYZ Chain:A ((2-225))
---PSIRVVNLKKYFGKVKAVDGVSFEVKDGEFVALLGPSGCGKTTTLLMLAGIYKPTSGEIYFDDVLVNDIPPKYREVGMVFQNYALY--PHMTVFENIAFPLRARRISKDEVEKRVVEIARKLLIDNLLDRKPTQLSGGQQQRVALARALVKQPKVLLFDEPLSNLDANLRMIMRAEIKHLQQELGITSVYVTHDQAEAMTMASRIAVFNQGKLVQYGTPDEVYDSP---------------------------------------------------------
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) -186540 for 1639 contacts (-113.8/contact) +
2D Compatibility (PS) -23132 + (NN) -16197 + (LL) 2216
1D Compatibility (HY) -12800 + (ID) 2650
Total energy: -239103.0 ( -145.88 by residue)
QMean score : 0.629
(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
: