Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKAIFITLEGPDGSGKTTVGTLLNQKMTEAGIDFIKTREPGGSPISEKVRNIVLGIGNEEMDPKTEVLLIAGARRQHVVETIRPALAAGKSVLCDRFMDSSLAYQGAGRDMNMEQVLQVNLYAIEDTLPDRTYYLDVPAEVGLARIAANKGREVNRLDKEDITYHEKVQAGYEKVINMFPERFMRVDATKTPEEITETILADILRQLA
4MQB Chain:A ((7-205))
----FITFEGPEGSGKTTVINEVYHRLVK-DYDVIMTREPGGVPTGEEIRKIVLE-GND-MDIRTEAMLFAASRREHLVLKVIPALKEGKVVLCDRYIDSSLAYQGYARGIGVEEVRALNEFAINGLYPDLTIYLNVSAEVGRERIIKN-SRDQNRLDQEDLKFHEKVIEGYQEIIH--SQRFKSVNADQPLENVVEDTYQTIIKYL-
General information:
TITO was launched using:
RESULT:
Template:
4MQB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -60772 for 1556 contacts (-39.1/contact) +
2D Compatibility (PS) -21774 + (NN) -10534 + (LL) 1620
1D Compatibility (HY) -18400 + (ID) 4900
Total energy: -114760.0 ( -73.75 by residue)
QMean score : 0.594
(partial model without unconserved sides chains):
PDB file :
Tito_4MQB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4MQB-query.scw
PDB file :
Tito_Scwrl_4MQB.pdb
: