Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNTMNSVLECKELALYGGSFDPLHKAHLAIIEQTLELLPFVQLIVLPAYQNPFKKPCFLDAKTRFKELERALKG---MPRVLLSDFEIKQERAVP--TIESVLHF-QKLYRPKTLYLVIGADCLRHLSSWTNAKELLKRVELVVFERIGYEEIQFKGRYHPLKGIDAPISSSAIRASLGV
4WSO Chain:A ((50-188))
----------RRIGILGGTFDPIHDGHLALARRFADVLRLTELVLMPAGQ-PYQKQDVSAAEHRLA-MTRAAAGSLVLPGVAVSVATDEIEHAGPTYTVETLERWRERLGADASLSLLIGADQLVRLDTWRDWRRLFDFAHVCAATRPGFDFAAASPAVAAEIASRQASADVLRATPAGR
General information:
TITO was launched using:
RESULT:
Template:
4WSO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -99563 for 956 contacts (-104.1/contact) +
2D Compatibility (PS) -14440 + (NN) -8977 + (LL) 832
1D Compatibility (HY) -7200 + (ID) 2100
Total energy: -131448.0 ( -137.50 by residue)
QMean score : 0.601
(partial model without unconserved sides chains):
PDB file :
Tito_4WSO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4WSO-query.scw
PDB file :
Tito_Scwrl_4WSO.pdb
: