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----
RCQYGWQGLYCDKCIPHPGCVHGICNEPWQCLCETNWGGQLCDK
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RCQYGWQGLYCDKCIPHPGCVHGICNEPWQCLCETNWGGQLCDK

Chain assignments

Content subtype: combined_16857_2kb9.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 44, Sequence coverage: 100.0%

     --------10--------20--------30--------40----
     RCQYGWQGLYCDKCIPHPGCVHGICNEPWQCLCETNWGGQLCDK
     ||||||||||||||||||||||||||||||||||||||||||||
     RCQYGWQGLYCDKCIPHPGCVHGICNEPWQCLCETNWGGQLCDK
     

   • Total number of assignments
     • ¹H chemical shifts: 262
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	266	262	98.5

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	91	90	98.9

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	175	172	98.3

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	13	13	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	30	30	100.0

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

Covalent bonds

1. Saveframe: assembly
   • Status: OK

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: 44, Sequence coverage: 93.2%

     --------10--------20--------30--------40----
     RCQYGWQGLYCDKCIPHPGCVHGICNEPWQCLCETNWGGQLCDK
        |||||||||||||||||||||||||||||||||||||||||
     ...YGWQGLYCDKCIPHPGCVHGICNEPWQCLCETNWGGQLCDK
     

   • Total number of restraints: 682
     • Intra-residue restraints, i = j : 198
     • Sequential restraints, | i - j | = 1 : 204
       • Backbone-backbone: 51
       • Backbone-side chain: 104
       • Side chain-side chain: 49
     • Medium range restraints, 1 < | i - j | < 5 : 72
       • Backbone-backbone: 15
       • Backbone-side chain: 15
       • Side chain-side chain: 42
     • Long range restraints, | i - j | >= 5 : 208
   • Weight of restraints: 1.0 (682)
     • Intra-residue restraints, i = j : 1.0 (198)
     • Sequential restraints, | i - j | = 1 : 1.0 (204)
       • Backbone-backbone: 1.0 (51)
       • Backbone-side chain: 1.0 (104)
       • Side chain-side chain: 1.0 (49)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (72)
       • Backbone-backbone: 1.0 (15)
       • Backbone-side chain: 1.0 (15)
       • Side chain-side chain: 1.0 (42)
     • Long range restraints, | i - j | >= 5 : 1.0 (208)
   • Potential type of restraints: upper-bound-parabolic (682)
     • Intra-residue restraints, i = j : upper-bound-parabolic (198)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (204)
       • Backbone-backbone: upper-bound-parabolic (51)
       • Backbone-side chain: upper-bound-parabolic (104)
       • Side chain-side chain: upper-bound-parabolic (49)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (72)
       • Backbone-backbone: upper-bound-parabolic (15)
       • Backbone-side chain: upper-bound-parabolic (15)
       • Side chain-side chain: upper-bound-parabolic (42)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (208)
   • Range of distance target values: 2.51, 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