Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKAIFITLEGPDGSGKTTVGTLLNQKMTEAGIDFIKTREPGGSPISEKVRNIVLGIGNEEMDPKTEVLLIAGARRQHVVETIRPALAAGKSVLCDRFMDSSLAYQGAGRDMNMEQVLQVNLYAIEDTLPDRTYYLDVPAEVGLARIAANKGREVNRLDKEDITYHEKVQAGYEKVINMFPERFMRVDATKTPEEITETILADILRQLA
4EAQ Chain:B ((28-226))
----FITFEGPEGSGKTTVINEVYHRLVK-DYDVIMTREPGGVPTGEEIRKIVLE-GND-MDIRTEAMLFAASRREHLVLKVIPALKEGKVVLCDRYIDSSLAYQGYARGIGVEEVRALNEFAINGLYPDLTIYLNVSAEVGRERIIKN-------LDQEDLKFHEKVIEGYQEIIHNESQRFKSVNADQPLENVVEDTYQTIIKYL-
General information:
TITO was launched using:
RESULT:
Template:
4EAQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -71515 for 1549 contacts (-46.2/contact) +
2D Compatibility (PS) -21051 + (NN) -9143 + (LL) 1524
1D Compatibility (HY) -18000 + (ID) 4750
Total energy: -122935.0 ( -79.36 by residue)
QMean score : 0.576
(partial model without unconserved sides chains):
PDB file :
Tito_4EAQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4EAQ-query.scw
PDB file :
Tito_Scwrl_4EAQ.pdb
: