Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTPVFELKNVNYYYDHKKVLENINIKINKGEFLAIVGPNGAGKSTLLKLILGLLPLQSGEIFVEGI---DFKNKKTSIKLSY----VSQKANAF-NSGFPASVKEVVLSGLTKTKRLFQTFNSKDN--EKVIKVLERLNISDLIHKNIAELSGGQQQRVMIARALISEPAVLVLDEPTNGIDAKHVSEFYNTLDQLKQE-GITIILVTHDIGVVADTATEVACLNK-HLHFHGTTDE-FKSLDEVEISKIYGHPVRFVDHQHNRECCN
2YYZ Chain:A ((2-237))
--PSIRVVNLKKYFGKVKAVDGVSFEVKDGEFVALLGPSGCGKTTTLLMLAGIYKPTSGEIYFDDVLVNDIPPKYREVGMVFQNYALYPHMTVFENIAFPLRARRI----------------SKDEVEKRVVEIARKLLIDNLLDRKPTQLSGGQQQRVALARALVKQPKVLLFDEPLSNLDANLRMIMRAEIKHLQQELGITSVYVTHDQAEAMTMASRIAVFNQGKLVQYGTPDEVYDSPKNMFVASFIGNP--------------
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) -139437 for 1709 contacts (-81.6/contact) +
2D Compatibility (PS) -24434 + (NN) -10935 + (LL) 2372
1D Compatibility (HY) -18000 + (ID) 3750
Total energy: -194184.0 ( -113.62 by residue)
QMean score : 0.505
(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
: