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---------
MSGGGVFTDILAAAGRIFEVMVEGHWETVGMLFDSLGKGTMRINRNAYGSMGGGSLRGS
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MSGGGVFTDILAAAGRIFEVMVEGHWETVGMLFDSLGKGTMRINRNAYGSMGGGSLRGS

Chain assignments

Content subtype: combined_15742_2k37.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 59, Sequence coverage: 100.0%

     --------10--------20--------30--------40--------50---------
     MSGGGVFTDILAAAGRIFEVMVEGHWETVGMLFDSLGKGTMRINRNAYGSMGGGSLRGS
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     MSGGGVFTDILAAAGRIFEVMVEGHWETVGMLFDSLGKGTMRINRNAYGSMGGGSLRGS
     

   • Total number of assignments
     • ¹H chemical shifts: 309
     • ¹⁵N chemical shifts: 64
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	322	309	96.0
         15N chemical shifts	66	64	97.0

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	131	130	99.2
         15N chemical shifts	59	58	98.3

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	191	179	93.7
         15N chemical shifts	7	6	85.7

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	34	30	88.2

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	27	21	77.8
         15N chemical shifts	1	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: 59, Sequence coverage: 100.0%

     --------10--------20--------30--------40--------50---------
     MSGGGVFTDILAAAGRIFEVMVEGHWETVGMLFDSLGKGTMRINRNAYGSMGGGSLRGS
     |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
     MSGGGVFTDILAAAGRIFEVMVEGHWETVGMLFDSLGKGTMRINRNAYGSMGGGSLRGS
     

   • Total number of restraints: 1746
     • Intra-residue restraints, i = j : 639
     • Sequential restraints, | i - j | = 1 : 433
       • Backbone-backbone: 120
       • Backbone-side chain: 240
       • Side chain-side chain: 73
     • Medium range restraints, 1 < | i - j | < 5 : 655
       • Backbone-backbone: 157
       • Backbone-side chain: 321
       • Side chain-side chain: 177
     • Long range restraints, | i - j | >= 5 : 19
   • Weight of restraints: 1.0 (1746)
     • Intra-residue restraints, i = j : 1.0 (639)
     • Sequential restraints, | i - j | = 1 : 1.0 (433)
       • Backbone-backbone: 1.0 (120)
       • Backbone-side chain: 1.0 (240)
       • Side chain-side chain: 1.0 (73)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (655)
       • Backbone-backbone: 1.0 (157)
       • Backbone-side chain: 1.0 (321)
       • Side chain-side chain: 1.0 (177)
     • Long range restraints, | i - j | >= 5 : 1.0 (19)
   • Potential type of restraints: square-well-parabolic (1746)
     • Intra-residue restraints, i = j : square-well-parabolic (639)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (433)
       • Backbone-backbone: square-well-parabolic (120)
       • Backbone-side chain: square-well-parabolic (240)
       • Side chain-side chain: square-well-parabolic (73)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (655)
       • Backbone-backbone: square-well-parabolic (157)
       • Backbone-side chain: square-well-parabolic (321)
       • Side chain-side chain: square-well-parabolic (177)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (19)
   • Range of distance target values: 1.49, 5.57 (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
     • Chain_ID_1: A - Chain_ID_2: A