Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIGIIGAMEEEVTLLRDKIENRQTISLGGCEIYTGQLNGTEVALLKSGIGKVAAALGATLLLEHCKPDVIINTGSAGGLAPTLKVGDIVVSDEARYHDADVTAFGYEYGQLPGCPAGFKADDKLIAAAEACIAELNLNAVRGLIVSGDAFINGSVGLAKIRHNFPQAIAVEMEATAIAHVCHNFNVPFVVVRAISDVADQQSHLSFDEFLAVAAKQSSLMVESLVQKLAHG
4JWT Chain:A ((23-251))
MKIAIMGAMPEEISPILEKIGSYKSTSYAGNKYYEATYQGVELVIAYSKIGKVFSALSAATMIEHFGATKLLFSGVAGAISTNLKVGDLIVATKLSQHDLDITAFGHPYGYVPEGSVFVEADKDMIELSKKVALEMGKSVQEGIIATGDQFVANEERKNWIGTTF-GADALEMEGGSVGVVCNALNIPFFILRSISDAADMDASFSFDEFLESSAKESAEFIMKMVDELV--
General information:
TITO was launched using:
RESULT:
Template:
4JWT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -180187 for 2067 contacts (-87.2/contact) +
2D Compatibility (PS) -24842 + (NN) -16907 + (LL) -268
1D Compatibility (HY) -18000 + (ID) 4150
Total energy: -244354.0 ( -118.22 by residue)
QMean score : 0.761
(partial model without unconserved sides chains):
PDB file :
Tito_4JWT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4JWT-query.scw
PDB file :
Tito_Scwrl_4JWT.pdb
: