Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKAIFITLEGPDGSGKTTVGTLLNQKMTEAGIDFIKTREPGGSPISEKVRNIVLGIGNEEMDPKTEVLLIAGARRQHVVETIRPALAAGKSVLCDRFMDSSLAYQGAGRDMNMEQVLQVNLYAIEDTLPDRTYYLDVPAEVGLARIAANKGREVNRLDKEDITYHEKVQAGYEKVINMFPERFMRVDATKTPEEIT---ETILADILRQLA
3UWK Chain:B ((23-228))
--GLFVTLEGPEGAGKSTNRDYLAERLRERGIEVQLTREPGGTPLAERIRELLLAPSDEPMAADTELLLMFAARAQHLAGVIRPALARGAVVLCDRFTDATYAYQGGGRGLPEARIAALESFVQGDLRPDLTLVFDLPVEIG------------DRFEQEDRRFFEAVRQTYLQRAAQAPERYQVLDAGLPLAEVQAGLDRLLPNLLERL-
General information:
TITO was launched using:
RESULT:
Template:
3UWK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -53804 for 1524 contacts (-35.3/contact) +
2D Compatibility (PS) -20637 + (NN) -7787 + (LL) 1536
1D Compatibility (HY) -13200 + (ID) 3850
Total energy: -97742.0 ( -64.14 by residue)
QMean score : 0.549
(partial model without unconserved sides chains):
PDB file :
Tito_3UWK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3UWK-query.scw
PDB file :
Tito_Scwrl_3UWK.pdb
: