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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RLQQWRKAALVLNASRRFRYTLDLK
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RLQQWRKAALVLNASRRFRYTLDLK

Chain assignments

Content subtype: combined_19170_2m73.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 25, Sequence coverage: 100.0%

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     RLQQWRKAALVLNASRRFRYTLDLK
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     RLQQWRKAALVLNASRRFRYTLDLK
     

   • Total number of assignments
     • ¹H chemical shifts: 174
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	175	173	98.9

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	50	49	98.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	125	124	99.2

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	16	16	100.0

       • Aromatic group atoms

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

   • 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: 25, Sequence coverage: 100.0%

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     RLQQWRKAALVLNASRRFRYTLDLK
     

   • Total number of restraints: 518
     • Intra-residue restraints, i = j : 186
     • Sequential restraints, | i - j | = 1 : 158
       • Backbone-backbone: 28
       • Backbone-side chain: 101
       • Side chain-side chain: 29
     • Medium range restraints, 1 < | i - j | < 5 : 172
       • Backbone-backbone: 33
       • Backbone-side chain: 88
       • Side chain-side chain: 51
     • Long range restraints, | i - j | >= 5 : 2
   • Weight of restraints: 1.0 (518)
     • Intra-residue restraints, i = j : 1.0 (186)
     • Sequential restraints, | i - j | = 1 : 1.0 (158)
       • Backbone-backbone: 1.0 (28)
       • Backbone-side chain: 1.0 (101)
       • Side chain-side chain: 1.0 (29)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (172)
       • Backbone-backbone: 1.0 (33)
       • Backbone-side chain: 1.0 (88)
       • Side chain-side chain: 1.0 (51)
     • Long range restraints, | i - j | >= 5 : 1.0 (2)
   • Potential type of restraints: upper-bound-parabolic (518)
     • Intra-residue restraints, i = j : upper-bound-parabolic (186)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (158)
       • Backbone-backbone: upper-bound-parabolic (28)
       • Backbone-side chain: upper-bound-parabolic (101)
       • Side chain-side chain: upper-bound-parabolic (29)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (172)
       • Backbone-backbone: upper-bound-parabolic (33)
       • Backbone-side chain: upper-bound-parabolic (88)
       • Side chain-side chain: upper-bound-parabolic (51)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (2)
   • Range of distance target values: 1.56, 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