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

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NVDVRYTYRPSVPAHRRVRESPLSSDAIFKQSH
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NVDVRYTYRPSVPAHRRVRESPLSSDAIFKQSH

Chain assignments

Content subtype: combined_30256_5uzl.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 33, Sequence coverage: 100.0%

     --------10--------20--------30---
     NVDVRYTYRPSVPAHRRVRESPLSSDAIFKQSH
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     NVDVRYTYRPSVPAHRRVRESPLSSDAIFKQSH
     

   • Total number of assignments
     • ¹H chemical shifts: 204
     • ¹⁵N chemical shifts: 31
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         15	HIS	HD1	8.591
         33	HIS	HD1	8.528

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	205	202	98.5
         15N chemical shifts	37	31	83.8

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	63	62	98.4
         15N chemical shifts	30	29	96.7

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	142	140	98.6
         15N chemical shifts	7	2	28.6

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	15	15	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	17	15	88.2

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

Distance restraints

1. Saveframe: DYANA/DIANA_distance_constraints_2
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 33, Sequence coverage: 97.0%

     --------10--------20--------30---
     NVDVRYTYRPSVPAHRRVRESPLSSDAIFKQSH
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     .VDVRYTYRPSVPAHRRVRESPLSSDAIFKQSH
     

   • Total number of restraints: 428
     • Intra-residue restraints, i = j : 189
     • Sequential restraints, | i - j | = 1 : 169
       • Backbone-backbone: 37
       • Backbone-side chain: 113
       • Side chain-side chain: 19
     • Medium range restraints, 1 < | i - j | < 5 : 61
       • Backbone-backbone: 13
       • Backbone-side chain: 32
       • Side chain-side chain: 16
     • Long range restraints, | i - j | >= 5 : 9
   • Weight of restraints: 1.0 (428)
     • Intra-residue restraints, i = j : 1.0 (189)
     • Sequential restraints, | i - j | = 1 : 1.0 (169)
       • Backbone-backbone: 1.0 (37)
       • Backbone-side chain: 1.0 (113)
       • Side chain-side chain: 1.0 (19)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (61)
       • Backbone-backbone: 1.0 (13)
       • Backbone-side chain: 1.0 (32)
       • Side chain-side chain: 1.0 (16)
     • Long range restraints, | i - j | >= 5 : 1.0 (9)
   • Potential type of restraints: upper-bound-parabolic (428)
     • Intra-residue restraints, i = j : upper-bound-parabolic (189)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (169)
       • Backbone-backbone: upper-bound-parabolic (37)
       • Backbone-side chain: upper-bound-parabolic (113)
       • Side chain-side chain: upper-bound-parabolic (19)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (61)
       • Backbone-backbone: upper-bound-parabolic (13)
       • Backbone-side chain: upper-bound-parabolic (32)
       • Side chain-side chain: upper-bound-parabolic (16)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (9)
   • Range of distance target values: 2.4, 5.5 (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