Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKAIFITLEGPDGSGKTTVGTLLNQKMTEAGIDFIKTREPGGSPISEKVRNIVLGIGNEEMDPKTEVLLIAGARRQHVVETIRPALAAGKSVLCDRFMDSSLAYQGAGRDMNMEQVLQVNLYAIEDTLPDRTYYLDVPAEVGLARIAANKGREVNRLDKEDITYHEKVQAGYEKVINMFPERFMRVDATKTPEEITETILADILRQLA
4EAQ Chain:A ((28-226))
----FITFEGPEGSGKTTVINEVYHRLVK-DYDVIMTREPGGVPTGEEIRKIVLE-----MDIRTEAMLFAASRREHLVLKVIPALKEGKVVLCDRYIDSSLAYQGYARGIGVEEVRALNEFAINGLYPDLTIYLNVSAEVGRERIIKN------RLDQEDLKFHEKVIEGYQEIIHNESQRFKSVNADQPLENVVEDTYQTIIKYL-
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) -60651 for 1539 contacts (-39.4/contact) +
2D Compatibility (PS) -20842 + (NN) -9489 + (LL) 1276
1D Compatibility (HY) -18000 + (ID) 4700
Total energy: -112406.0 ( -73.04 by residue)
QMean score : 0.526
(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
: