Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQKIGILGAMREEITPILELFGVDFEEIPLGGNVFHKGVYHNKEIIVAYSKIGKVHSTLTTTSMILAFGVQKVLFSGVAGSLVKDLKINDLLVATQLVQHDVDLSAFDHPLGFIPESAIFIETSGSLNALAKKIANEQHIALKEGVIASGDQFVH-----SKERKEFLVSEFKASAVEMEGASVAFVCQKFGVPCCVLRSISDNADEKAGMSFDEFLEKSAHTSAKFLKSMVDEL
1NC1 Chain:B ((12-239))
--KIGIIGAMEEEVTLLRDKI-ENRQTISLGGCEIYTGQLNGTEVALLKSGIGKVAAALGATLLLEHCKPDVIINTGSAGGLAPTLKVGDIVVSDEARYHDADVTAFGYEYGQLPGCPAGFKADDKLIAAAEACIAELNLNAVRGLIVSGDAFINGSVGLAKIRHNFP----QAIAVEMEATAIAHVCHNFNVPFVVVRAISDVADQQSHLSFDEFLAVAAKQSSLMVESLVQKL
General information:
TITO was launched using:
RESULT:
Template:
1NC1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -138818 for 2021 contacts (-68.7/contact) +
2D Compatibility (PS) -23334 + (NN) -4114 + (LL) 556
1D Compatibility (HY) -15200 + (ID) 4050
Total energy: -184960.0 ( -91.52 by residue)
QMean score : 0.474
(partial model without unconserved sides chains):
PDB file :
Tito_1NC1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NC1-query.scw
PDB file :
Tito_Scwrl_1NC1.pdb
: