Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKAIFITLEGPDGSGKTTVGTLLNQKMTEAGIDFIKTREPGGSPISEKVRNIVLGIGNEEMDPKTEVLLIAGARRQHVVETIRPALAAGKSVLCDRFMDSSLAYQGAGRDMNMEQVLQVNLYAIEDTLPDRTYYLDVPAEVGLARIAANKGREVNRLDKEDITYHEKVQAGYEKVINMFPERFMRVDATKTPEEITETILADILRQLA
4DWJ Chain:A ((28-226))
----FITFEGPEGSGKTTVINEVYHRLVK-DYDVIMTREPGGVPTGEEIRKIVLE-GND-MDIRTEAMLFAASRREHLVLKVIPALKEGKVVLCDRYIDSSLAYQGYARGIGVEEVRALNEFAINGLYPDLTIYLNVSAEVGRERIIKN-SRDQNRLDQEDLKFHEKVIEGYQEIIH---QRFKSVNADQPLENVVEDTYQTIIKYL-
General information:
TITO was launched using:
RESULT:
Template:
4DWJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -58480 for 1549 contacts (-37.8/contact) +
2D Compatibility (PS) -21448 + (NN) -8936 + (LL) 1480
1D Compatibility (HY) -18400 + (ID) 4900
Total energy: -110684.0 ( -71.46 by residue)
QMean score : 0.617
(partial model without unconserved sides chains):
PDB file :
Tito_4DWJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4DWJ-query.scw
PDB file :
Tito_Scwrl_4DWJ.pdb
: