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---------
KHLLQTVLHIIQVVISYFLMLIFMTYNKK
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KHLLQTVLHIIQVVISYFLMLIFMTYNKK

Chain assignments

Content subtype: combined_18409_2ls3.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 29, Sequence coverage: 100.0%

     --------10--------20---------
     KHLLQTVLHIIQVVISYFLMLIFMTYNKK
     |||||||||||||||||||||||||||||
     KHLLQTVLHIIQVVISYFLMLIFMTYNKK
     

   • Total number of assignments
     • ¹H chemical shifts: 172
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         2	HIS	HD1	7.346
         9	HIS	HD1	7.258

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	202	170	84.2

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	58	57	98.3

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	144	113	78.5

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	28	24	85.7

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	22	5	22.7

   • 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: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 29, Sequence coverage: 96.6%

     --------10--------20---------
     KHLLQTVLHIIQVVISYFLMLIFMTYNKK
      ||||||||||||||||||||||||||||
     .HLLQTVLHIIQVVISYFLMLIFMTYNKK
     

   • Total number of restraints: 456
     • Intra-residue restraints, i = j : 206
     • Sequential restraints, | i - j | = 1 : 119
       • Backbone-backbone: 29
       • Backbone-side chain: 69
       • Side chain-side chain: 21
     • Medium range restraints, 1 < | i - j | < 5 : 131
       • Backbone-backbone: 30
       • Backbone-side chain: 58
       • Side chain-side chain: 43
   • Weight of restraints: 1.0 (456)
     • Intra-residue restraints, i = j : 1.0 (206)
     • Sequential restraints, | i - j | = 1 : 1.0 (119)
       • Backbone-backbone: 1.0 (29)
       • Backbone-side chain: 1.0 (69)
       • Side chain-side chain: 1.0 (21)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (131)
       • Backbone-backbone: 1.0 (30)
       • Backbone-side chain: 1.0 (58)
       • Side chain-side chain: 1.0 (43)
   • Potential type of restraints: upper-bound-parabolic (456)
     • Intra-residue restraints, i = j : upper-bound-parabolic (206)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (119)
       • Backbone-backbone: upper-bound-parabolic (29)
       • Backbone-side chain: upper-bound-parabolic (69)
       • Side chain-side chain: upper-bound-parabolic (21)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (131)
       • Backbone-backbone: upper-bound-parabolic (30)
       • Backbone-side chain: upper-bound-parabolic (58)
       • Side chain-side chain: upper-bound-parabolic (43)
   • Range of distance target values: 2.4, 6.98 (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