Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKAIFITLEGPDGSGKTTVGTLLNQKMTEAGIDFIKTREPGGSPISEKVRNIVLGIGNEEMDPKTEVLLIAGARRQHVVETIRPALAAGKSVLCDRFMDSSLAYQGAGRDMNMEQVLQVNLYAIEDTLPDRTYYLDVPAEVGLARIAANKGREVNRLDKEDITYHEKVQAGYEKVINMFPERFMRVDATKTPEEITETILADILRQLA
4QGA Chain:B ((4-202))
----FITFEGPEGSGKTTVINEVYHRLVK-DYDVIMTREPGGVPTGEEIRKIVLE-GND-MDIRTEAMLFAASRREHLVLKVIPALKEGKVVLCDRYIDSSLAYQGYARGIGVEEVRALNEFAINGLYPDLTIYLNVSAEVGRERIIKN-S------DQEDLKFHEKVIEGYQEIIHNESQRFKSVNADQPLENVVEDTYQTIIKYL-
General information:
TITO was launched using:
RESULT:
Template:
4QGA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -67494 for 1540 contacts (-43.8/contact) +
2D Compatibility (PS) -21333 + (NN) -10451 + (LL) 1872
1D Compatibility (HY) -17600 + (ID) 4700
Total energy: -119706.0 ( -77.73 by residue)
QMean score : 0.580
(partial model without unconserved sides chains):
PDB file :
Tito_4QGA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4QGA-query.scw
PDB file :
Tito_Scwrl_4QGA.pdb
: