Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIGIIAAMEEELKLLVENLEDKSQETVLSNVYYSGRYGEHELVLVQSGVGKVMSAMSVAILVESFKVDAIINTGSAGAVATGLNVGDVVVADTLVYHDVDLTAFGYDYGQMSMQPLYFHSDKTFVSTFEAVLSKEEMTSKVGLIATGDSFIAGQEKIDVIKGHFPQVLAVEMEGAAIAQAAQATGKPFVVVRAMSDTAAHDANITFDEFIIEAGKRSAQVLMAFLKAL
4WKC Chain:A ((1-229))
MKIGIIGAMEEEVTLLRDKIENRQTISLGGCEIYTGQLNGTEVALLKSGIGKVAAALGATLLLEHCKPDVIINTGSAGGLAPTLKVGDIVVSDEARYHDADVTAFGYEYGQLPGCPAGFKADDKLIAAAEACIAELNLNAVRGLIVSGDAFINGSVGLAKIRHNFPQAIAVEMEATAIAHVCHNFNVPFVVVRAISDVADQQSHLSFDEFLAVAAKQSSLMVESLVQKL
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) -172388 for 2072 contacts (-83.2/contact) +
2D Compatibility (PS) -24766 + (NN) -8166 + (LL) 0
1D Compatibility (HY) -19600 + (ID) 4950
Total energy: -229870.0 ( -110.94 by residue)
QMean score : 0.615
(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
: