Properties

Disulfide bonds

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

Non-standard residues

Sequence alignments

• Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
GPGSLSNFANVGVGTSSGKQKRYKFSASEDEAIIKGLARFTKGQQRFQQIYYAYRSVWHPARTVSQLYDHWRGTLRYKVIQQQGYRGKNSVAARSPEKAS
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GPGSLSNFANVGVGTSSGKQKRYKFSASEDEAIIKGLARFTKGQQRFQQIYYAYRSVWHPARTVSQLYDHWRGTLRYKVIQQQGYRGKNSVAARSPEKAS

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NMENNE
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NMENNE

Chain assignments

Content subtype: combined_19294_2m9h.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 106, Sequence coverage: 92.5%

     --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
     GPGSLSNFANVGVGTSSGKQKRYKFSASEDEAIIKGLARFTKGQQRFQQIYYAYRSVWHPARTVSQLYDHWRGTLRYKVIQQQGYRGKNSVAARSPEKAS
     | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ||||||||||| ||||   || ||||||||||||| ||||
     G.GSLSNFANVGVGTSSGKQKRYKFSASEDEAIIKGLARFTKGQQRFQQIYYAYRSVWH.ARTVSQLYDHW.GTLR...IQ.QGYRGKNSVAARS.EKAS
     
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     NMENNE
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     NMENNE
     

   • Total number of assignments
     • ¹⁵N chemical shifts: 98
     • ¹H chemical shifts: 97
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         15N chemical shifts	129	98	76.0
         1H chemical shifts	662	97	14.7

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         15N chemical shifts	103	98	95.1
         1H chemical shifts	219	97	44.3

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         15N chemical shifts	26	0	0.0
         1H chemical shifts	443	0	0.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	42	0	0.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         15N chemical shifts	2	0	0.0
         1H chemical shifts	64	0	0.0

   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: A

Distance restraints

1. Saveframe: CNS/XPLOR_distance_constraints_2
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 106, Sequence coverage: 32.1%
   • Total number of restraints: 139
     • Sequential restraints, | i - j | = 1 : 13
       • Backbone-backbone: 2
       • Backbone-side chain: 6
       • Side chain-side chain: 5
     • Medium range restraints, 1 < | i - j | < 5 : 54
       • Backbone-backbone: 3
       • Backbone-side chain: 43
       • Side chain-side chain: 8
     • Long range restraints, | i - j | >= 5 : 72
   • Weight of restraints: 1.0 (139)
     • Sequential restraints, | i - j | = 1 : 1.0 (13)
       • Backbone-backbone: 1.0 (2)
       • Backbone-side chain: 1.0 (6)
       • Side chain-side chain: 1.0 (5)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (54)
       • Backbone-backbone: 1.0 (3)
       • Backbone-side chain: 1.0 (43)
       • Side chain-side chain: 1.0 (8)
     • Long range restraints, | i - j | >= 5 : 1.0 (72)
   • Potential type of restraints: square-well-parabolic (139)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (13)
       • Backbone-backbone: square-well-parabolic (2)
       • Backbone-side chain: square-well-parabolic (6)
       • Side chain-side chain: square-well-parabolic (5)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (54)
       • Backbone-backbone: square-well-parabolic (3)
       • Backbone-side chain: square-well-parabolic (43)
       • Side chain-side chain: square-well-parabolic (8)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (72)
   • Range of distance target values: 3.4, 4.65 (Å)
   • Histogram of distance target values
   • Histogram of discrepancy in distance target values
   • Distance restraints per residue
     • Chain_ID: A
   • Distance restraints on contact map