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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GPYCQKWMQTCDSERKCCEGMVCRLWCKKKLL
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GPYCQKWMQTCDSERKCCEGMVCRLWCKKKLL

Chain assignments

Content subtype: combined_30181_5tcz.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 32, Sequence coverage: 93.8%

     --------10--------20--------30--
     GPYCQKWMQTCDSERKCCEGMVCRLWCKKKLL
       ||||||||||||||||||||||||||||||
     ..YCQKWMQTCDSERKCCEGMVCRLWCKKKLL
     

   • Total number of assignments
     • ¹H chemical shifts: 150
     • ¹⁵N chemical shifts: 32
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         15	ARG	HH11	6.945
         24	ARG	HH11	7.181

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	213	148	69.5
         15N chemical shifts	37	32	86.5

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	65	61	93.8
         15N chemical shifts	31	28	90.3

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	148	87	58.8
         15N chemical shifts	6	4	66.7

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	11	0	0.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	16	2	12.5
         15N chemical shifts	2	2	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: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 32, Sequence coverage: 90.6%

     --------10--------20--------30--
     GPYCQKWMQTCDSERKCCEGMVCRLWCKKKLL
       ||||||||||||||||| ||||||||||||
     ..YCQKWMQTCDSERKCCE.MVCRLWCKKKLL
     

   • Total number of restraints: 495
     • Intra-residue restraints, i = j : 158
     • Sequential restraints, | i - j | = 1 : 155
       • Backbone-backbone: 38
       • Backbone-side chain: 99
       • Side chain-side chain: 18
     • Medium range restraints, 1 < | i - j | < 5 : 54
       • Backbone-backbone: 17
       • Backbone-side chain: 34
       • Side chain-side chain: 3
     • Long range restraints, | i - j | >= 5 : 128
   • Weight of restraints: 1.0 (495)
     • Intra-residue restraints, i = j : 1.0 (158)
     • Sequential restraints, | i - j | = 1 : 1.0 (155)
       • Backbone-backbone: 1.0 (38)
       • Backbone-side chain: 1.0 (99)
       • Side chain-side chain: 1.0 (18)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (54)
       • Backbone-backbone: 1.0 (17)
       • Backbone-side chain: 1.0 (34)
       • Side chain-side chain: 1.0 (3)
     • Long range restraints, | i - j | >= 5 : 1.0 (128)
   • Potential type of restraints: upper-bound-parabolic (495)
     • Intra-residue restraints, i = j : upper-bound-parabolic (158)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (155)
       • Backbone-backbone: upper-bound-parabolic (38)
       • Backbone-side chain: upper-bound-parabolic (99)
       • Side chain-side chain: upper-bound-parabolic (18)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (54)
       • Backbone-backbone: upper-bound-parabolic (17)
       • Backbone-side chain: upper-bound-parabolic (34)
       • Side chain-side chain: upper-bound-parabolic (3)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (128)
   • Range of distance target values: 2.31, 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