Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQKIGILGAMREEITPILELFGVDFEEIPLGGNVFHKGVYHNKEIIVAYSKIGKVHSTLTTTSMILAFGVQKVLFSGVAGSLVKDLKINDLLVATQLVQHDVDLSAFDHPLGFIPESAIFIETSGSLNALAKKIANEQHIALKEGVIASGDQFVH-----SKERKEFLVSEFKASAVEMEGASVAFVCQKFGVPCCVLRSISDNADEKAGMSFDEFLEKSAHTSAKFLKSMVDEL
4WKC Chain:A ((2-229))
--KIGIIGAMEEEVTLLRDKI-ENRQTISLGGCEIYTGQLNGTEVALLKSGIGKVAAALGATLLLEHCKPDVIINTGSAGGLAPTLKVGDIVVSDEARYHDADVTAFGYEYGQLPGCPAGFKADDKLIAAAEACIAELNLNAVRGLIVSGDAFINGSVGLAKIRHNFP----QAIAVEMEATAIAHVCHNFNVPFVVVRAISDVADQQSHLSFDEFLAVAAKQSSLMVESLVQKL
General information:
TITO was launched using:
RESULT:
Template:
4WKC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -146226 for 2009 contacts (-72.8/contact) +
2D Compatibility (PS) -23434 + (NN) -4242 + (LL) 556
1D Compatibility (HY) -15200 + (ID) 4050
Total energy: -192596.0 ( -95.87 by residue)
QMean score : 0.509
(partial model without unconserved sides chains):
PDB file :
Tito_4WKC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4WKC-query.scw
PDB file :
Tito_Scwrl_4WKC.pdb
: