Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQKIGILGAMREEITPILELFGVDFEEIPLGGNVFHKGVYHNKEIIVAYSKIGKVHSTLTTTSMILAFGVQKVLFSGVAGSLVKDLKINDLLVATQLVQHDVDLSAFDHPLGFIPESAIFIETSGSLNALAKKIANEQHIALKEGVIASGDQFVH-----SKERKEFLVSEFKASAVEMEGASVAFVCQKFGVPCCVLRSISDNADEKAGMSFDEFLEKSAHTSAKFLKSMVDEL
1NC3 Chain:B ((12-239))
--KIGIIGAMEEEVTLLRDKI-ENRQTISLGGCEIYTGQLNGTEVALLKSGIGKVAAALGATLLLEHCKPDVIINTGSAGGLAPTLKVGDIVVSDEARYHDADVTAFGYEYGQLPGCPAGFKADDKLIAAAEACIAELNLNAVRGLIVSGDAFINGSVGLAKIRHNFP----QAIAVEMEATAIAHVCHNFNVPFVVVRAISDVADQQSHLSFDEFLAVAAKQSSLMVESLVQKL
General information:
TITO was launched using:
RESULT:
Template:
1NC3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -145089 for 2030 contacts (-71.5/contact) +
2D Compatibility (PS) -23384 + (NN) -4167 + (LL) 556
1D Compatibility (HY) -15200 + (ID) 4050
Total energy: -191334.0 ( -94.25 by residue)
QMean score : 0.460
(partial model without unconserved sides chains):
PDB file :
Tito_1NC3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NC3-query.scw
PDB file :
Tito_Scwrl_1NC3.pdb
: