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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VLEKWRNLCGVVKNPKRRFRFTANLS
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VLEKWRNLCGVVKNPKRRFRFTANLS

Chain assignments

Content subtype: combined_19184_2m7e.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 26, Sequence coverage: 100.0%

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     VLEKWRNLCGVVKNPKRRFRFTANLS
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     VLEKWRNLCGVVKNPKRRFRFTANLS
     

   • Total number of assignments
     • ¹H chemical shifts: 178
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         13	LYS	HZ1	7.57
         13	LYS	HZ2	7.57
         13	LYS	HZ3	7.57
         16	LYS	HZ1	7.575
         16	LYS	HZ2	7.575
         16	LYS	HZ3	7.575

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	179	171	95.5

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	52	51	98.1

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	127	120	94.5

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	14	14	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	16	14	87.5

   • 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: 26, Sequence coverage: 96.2%

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     VLEKWRNLCGVVKNPKRRFRFTANLS
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     VLEKWRNLCGVVKNPKRRFRFTANL 
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   • Total number of restraints: 460
     • Intra-residue restraints, i = j : 162
     • Sequential restraints, | i - j | = 1 : 95
       • Backbone-backbone: 20
       • Backbone-side chain: 65
       • Side chain-side chain: 10
     • Medium range restraints, 1 < | i - j | < 5 : 186
       • Backbone-backbone: 23
       • Backbone-side chain: 82
       • Side chain-side chain: 81
     • Long range restraints, | i - j | >= 5 : 17
   • Weight of restraints: 1.0 (460)
     • Intra-residue restraints, i = j : 1.0 (162)
     • Sequential restraints, | i - j | = 1 : 1.0 (95)
       • Backbone-backbone: 1.0 (20)
       • Backbone-side chain: 1.0 (65)
       • Side chain-side chain: 1.0 (10)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (186)
       • Backbone-backbone: 1.0 (23)
       • Backbone-side chain: 1.0 (82)
       • Side chain-side chain: 1.0 (81)
     • Long range restraints, | i - j | >= 5 : 1.0 (17)
   • Potential type of restraints: upper-bound-parabolic (460)
     • Intra-residue restraints, i = j : upper-bound-parabolic (162)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (95)
       • Backbone-backbone: upper-bound-parabolic (20)
       • Backbone-side chain: upper-bound-parabolic (65)
       • Side chain-side chain: upper-bound-parabolic (10)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (186)
       • Backbone-backbone: upper-bound-parabolic (23)
       • Backbone-side chain: upper-bound-parabolic (82)
       • Side chain-side chain: upper-bound-parabolic (81)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (17)
   • Range of distance target values: 2.32, 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