Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKAIFITLEGPDGSGKTTVGTLLNQKMTEAGIDFIKTREPGGSPISEKVRNIVLGIGNEEMDPKTEVLLIAGARRQHVVETIRPALAAGKSVLCDRFMDSSLAYQGAGRDMNMEQVLQVNLYAIEDTLPDRTYYLDVPAEVGLARIAANKGREVNRLDKEDITYHEKVQAGYEKVINMFPERFMRVDATKTPEEITETILADILRQLA
4QGH Chain:B ((4-202))
----FITFEGPEGSGKTTVINEVYHRLVK-DYDVIMTREPGGVPTGEEIRKIVLE-GND-MDIRTEAMLFAASRREHLVLKVIPALKEGKVVLCDRYIDSSLAYQGYARGIGVEEVRALNEFAINGLYPDLTIYLNVSAEVGRERIIK-------RLDQEDLKFHEKVIEGYQEIIHNESQRFKSVNADQPLENVVEDTYQTIIKYL-
General information:
TITO was launched using:
RESULT:
Template:
4QGH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -66805 for 1545 contacts (-43.2/contact) +
2D Compatibility (PS) -21106 + (NN) -9675 + (LL) 1344
1D Compatibility (HY) -18000 + (ID) 4750
Total energy: -118992.0 ( -77.02 by residue)
QMean score : 0.600
(partial model without unconserved sides chains):
PDB file :
Tito_4QGH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4QGH-query.scw
PDB file :
Tito_Scwrl_4QGH.pdb
: