Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKAIFITLEGPDGSGKTTVGTLLNQKMTEAGIDFIKTREPGGSPISEKVRNIVLGIGNEEMDPKTEVLLIAGARRQHVVETIRPALAAGKSVLCDRFMDSSLAYQGAGRDMNMEQVLQVNLYAIEDTLPDRTYYLDVPAEVGLARIAANKGREVNRLDKEDITYHEKVQAGYEKVINMFPERFMRVDATKTPEEITETILADILRQLA
4ESH Chain:A ((4-189))
MTGLFVTLEGPEGAGKSTNRDYLAERLRERGIEVQLTREPGGTPLAERIRELLLAPSDEPMAADTELLLMFAARAQHLAGVIRPALARGAVVLCDRFTDATYAYQGGGRGLPEARIAALESFVQGDLRPDLTLVFDLPVEIGLAR-----GR-LDRFEQEDRRFFEAVRQTYLQRAAQAPERYQVLDA--------------------
General information:
TITO was launched using:
RESULT:
Template:
4ESH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -32714 for 1361 contacts (-24.0/contact) +
2D Compatibility (PS) -19418 + (NN) -7338 + (LL) 2596
1D Compatibility (HY) -12000 + (ID) 3950
Total energy: -72824.0 ( -53.51 by residue)
QMean score : 0.476
(partial model without unconserved sides chains):
PDB file :
Tito_4ESH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4ESH-query.scw
PDB file :
Tito_Scwrl_4ESH.pdb
: