Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKAIFITLEGPDGSGKTTVGTLLNQKMTEAGIDFIKTREPGGSPISEKVRNIVLGIGNEEMDPKTEVLLIAGARRQHVVETIRPALAAGKSVLCDRFMDSSLAYQGAGRDMNMEQVLQVNLYAIEDTLPDRTYYLDVPAEVGLARIAANKGREVNRLDKEDITYHEKVQAGYEKVINMFPERFMRVDATKTPEEITETILADILRQLA
4QGH Chain:A ((4-202))
----FITFEGPEGSGKTTVINEVYHRLVK-DYDVIMTREPGGVPTGEEIRKIVLE-GND-MDIRTEAMLFAASRREHLVLKVIPALKEGKVVLCDRYIDSSLAYQGYARGIGVEEVRALNEFAINGLYPDLTIYLNVSAEVGRERIIKN--------DQEDLKFHEKVIEGYQEIIHN--QRFKSVNADQPLENVVEDTYQTIIKYL-
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) -56765 for 1516 contacts (-37.4/contact) +
2D Compatibility (PS) -20671 + (NN) -9176 + (LL) 1692
1D Compatibility (HY) -18000 + (ID) 4700
Total energy: -107620.0 ( -70.99 by residue)
QMean score : 0.571
(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
: