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
CVPQYGVCDGIINQCCDPYYCSPPIYGHCI
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CVPQYGVCDGIINQCCDPYYCSPPIYGHCI

Chain assignments

Content subtype: combined_19846_2mm5.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 30, Sequence coverage: 100.0%

     --------10--------20--------30
     CVPQYGVCDGIINQCCDPYYCSPPIYGHCI
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     CVPQYGVCDGIINQCCDPYYCSPPIYGHCI
     

   • Total number of assignments
     • ¹H chemical shifts: 167
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	171	167	97.7

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	59	58	98.3

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	112	109	97.3

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	12	12	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	18	17	94.4

   • 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: 30, Sequence coverage: 100.0%

     --------10--------20--------30
     CVPQYGVCDGIINQCCDPYYCSPPIYGHCI
     ||||||||||||||||||||||||||||||
     CVPQYGVCDGIINQCCDPYYCSPPIYGHCI
     

   • Total number of restraints: 545
     • Intra-residue restraints, i = j : 35
     • Sequential restraints, | i - j | = 1 : 267
       • Backbone-backbone: 84
       • Backbone-side chain: 124
       • Side chain-side chain: 59
     • Medium range restraints, 1 < | i - j | < 5 : 48
       • Backbone-backbone: 5
       • Backbone-side chain: 30
       • Side chain-side chain: 13
     • Long range restraints, | i - j | >= 5 : 195
   • Weight of restraints: 1.0 (545)
     • Intra-residue restraints, i = j : 1.0 (35)
     • Sequential restraints, | i - j | = 1 : 1.0 (267)
       • Backbone-backbone: 1.0 (84)
       • Backbone-side chain: 1.0 (124)
       • Side chain-side chain: 1.0 (59)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (48)
       • Backbone-backbone: 1.0 (5)
       • Backbone-side chain: 1.0 (30)
       • Side chain-side chain: 1.0 (13)
     • Long range restraints, | i - j | >= 5 : 1.0 (195)
   • Potential type of restraints: upper-bound-parabolic (545)
     • Intra-residue restraints, i = j : upper-bound-parabolic (35)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (267)
       • Backbone-backbone: upper-bound-parabolic (84)
       • Backbone-side chain: upper-bound-parabolic (124)
       • Side chain-side chain: upper-bound-parabolic (59)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (48)
       • Backbone-backbone: upper-bound-parabolic (5)
       • Backbone-side chain: upper-bound-parabolic (30)
       • Side chain-side chain: upper-bound-parabolic (13)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (195)
   • Range of distance target values: 3.4, 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

Dihedral angle restraints

1. Saveframe: DYANA/DIANA_dihedral_3
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 30, Sequence coverage: 33.3%
   • Total number of restraints: 5
     • Phi angle constraints: 5
   • Total number of restraints per polymer type: 5
     • Protein: 5
   • Weight of restraints: 1.0 (5)
     • Phi angle constraints: 1.0 (5)
   • Potential type of restraints: square-well-parabolic (5)
     • Phi angle constraints: square-well-parabolic (5)
   • Dihedral angle restraints per residue