Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKAIFITLEGPDGSGKTTVGTLLNQKMTEAGIDFIKTREPGGSPISEKVRNIVLGIGNEEMDPKTEVLLIAGARRQHVVETIRPALAAGKSVLCDRFMDSSLAYQGAGRDMNMEQVLQVNLYAIEDTLPDRTYYLDVPAEVGLARIAANKGREVNRLDKEDITYHEKVQAGYEKVINMFPERFMRVDATKTPEEITETILADILRQLA
4HEJ Chain:A ((4-202))
----FITFEGPEGSGKTTVINEVYHRLVK-DYDVIMTREPGGVPTGEEIRKIVLE-GND-MDIRTEAMLFAASRREHLVLKVIPALKEGKVVLCDRYIDSSLAYQGYARGIGVEEVRALNEFAINGLYPDLTIYLNVSAEVGRERIIKN-----NRLDQEDLKFHEKVIEGYQEIIHNESQRFKSVNADQPLENVVEDTYQTIIKYL-
General information:
TITO was launched using:
RESULT:
Template:
4HEJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -75096 for 1555 contacts (-48.3/contact) +
2D Compatibility (PS) -21499 + (NN) -10263 + (LL) 1504
1D Compatibility (HY) -18000 + (ID) 4850
Total energy: -128204.0 ( -82.45 by residue)
QMean score : 0.609
(partial model without unconserved sides chains):
PDB file :
Tito_4HEJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4HEJ-query.scw
PDB file :
Tito_Scwrl_4HEJ.pdb
: