CoNSEnsX: an ensemble view of protein structures and NMR-derived experimental data

BMC Structural Biology

Table 1 Human ubiquitin ensembles used for evaluation with the CoNSEnsX approach.

Structure identifier	Description	No. of models	Reference(s)
U_1D3Z	Solution NMR ensemble	10	[35]
U_COCO	Solution NMR ensemble (1D3Z.pdb) plus COCO-derived conformers	20	this study
U_1XQQ	DER ensemble	128	[14]
U_2NR2	MUMO ensemble	144	[15]
U_2K39	EROS ensemble	116	[10]
U_ISD	ISD ensemble (ensemble provided as an example with the ISD 1.1 package)	25	[26]
U_NNR	NOE(2)+S²(8)+RDC(8) restrained ensemble	32	this study
U_CNS	RECOORD ensemble calculated with CNS	25	[34]
U_CNW	RECOORD ensemble calculated with CNS in water	25	[34]
U_CYA	RECOORD ensemble calculated with CYANA	25	[34]
U_CYW	RECOORD ensemble calculated with CYANA in water	25	[34]
U_1UBQMD	5ns MD simulation started from the X-ray structure 1UBQ	32	this study
U_1G6J	Ubiquitin in reverse micelles	32	[36]
U_1V80	Ubiquitin at 30 bar	10	[37]
U_1V81	Ubiquitin at 3000 bar	10	[37]
U_2JZZ	Solid-state NMR structure	20	[38]

ISSN: 1472-6807