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
CRPYGYRCDGVINQCCDPYHCTPPLIGICL
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CRPYGYRCDGVINQCCDPYHCTPPLIGICL

Chain assignments

Content subtype: combined_19847_2mm6.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
     CRPYGYRCDGVINQCCDPYHCTPPLIGICL
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     CRPYGYRCDGVINQCCDPYHCTPPLIGICL
     

   • Total number of assignments
     • ¹H chemical shifts: 167
     • ¹⁵N chemical shifts: 1
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	175	167	95.4
         15N chemical shifts	30	1	3.3

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	59	58	98.3
         15N chemical shifts	26	1	3.8

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	116	109	94.0
         15N chemical shifts	4	0	0.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	13	10	76.9

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	14	12	85.7

   • 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: 30, Sequence coverage: 100.0%

     --------10--------20--------30
     CRPYGYRCDGVINQCCDPYHCTPPLIGICL
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     CRPYGYRCDGVINQCCDPYHCTPPLIGICL
     

   • Total number of restraints: 416
     • Intra-residue restraints, i = j : 156
     • Sequential restraints, | i - j | = 1 : 129
       • Backbone-backbone: 43
       • Backbone-side chain: 70
       • Side chain-side chain: 16
     • Medium range restraints, 1 < | i - j | < 5 : 19
       • Backbone-backbone: 3
       • Backbone-side chain: 12
       • Side chain-side chain: 4
     • Long range restraints, | i - j | >= 5 : 112
   • Weight of restraints: 1.0 (416)
     • Intra-residue restraints, i = j : 1.0 (156)
     • Sequential restraints, | i - j | = 1 : 1.0 (129)
       • Backbone-backbone: 1.0 (43)
       • Backbone-side chain: 1.0 (70)
       • Side chain-side chain: 1.0 (16)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (19)
       • Backbone-backbone: 1.0 (3)
       • Backbone-side chain: 1.0 (12)
       • Side chain-side chain: 1.0 (4)
     • Long range restraints, | i - j | >= 5 : 1.0 (112)
   • Potential type of restraints: upper-bound-parabolic (416)
     • Intra-residue restraints, i = j : upper-bound-parabolic (156)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (129)
       • Backbone-backbone: upper-bound-parabolic (43)
       • Backbone-side chain: upper-bound-parabolic (70)
       • Side chain-side chain: upper-bound-parabolic (16)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (19)
       • Backbone-backbone: upper-bound-parabolic (3)
       • Backbone-side chain: upper-bound-parabolic (12)
       • Side chain-side chain: upper-bound-parabolic (4)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (112)
   • Range of distance target values: 2.91, 6.49 (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
   • Saveframe: DYANA/DIANA_distance_constraints_5
     • Status: Warning
     • Experiment type: noe
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 30, Sequence coverage: 13.3%
     • Total number of restraints: 4
       • Medium range restraints, 1 < | i - j | < 5 : 1
         • Side chain-side chain: 1
       • Long range restraints, | i - j | >= 5 : 3
     • Weight of restraints: 1.0 (4)
       • Medium range restraints, 1 < | i - j | < 5 : 1.0 (1)
         • Side chain-side chain: 1.0 (1)
       • Long range restraints, | i - j | >= 5 : 1.0 (3)
     • Potential type of restraints: upper-bound-parabolic (4)
       • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (1)
         • Side chain-side chain: upper-bound-parabolic (1)
       • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (3)
     • Range of distance target values: 4.2, 5.0 (Å)
     • Histogram of distance target values
     • Distance restraints per residue
       • Chain_ID: A
     • Distance restraints on contact map
     • Saveframe: CNS/XPLOR_distance_constraints_4
       • Status: Warning
       • Experiment type: hbond
       • Sequence coverage of experimental data
         • Entity_assembly_ID: A, Chain length: 30, Sequence coverage: 20.0%
       • Total number of restraints: 6
         • Total hydrogen bond restraints: 6
       • Weight of restraints: 1.0 (6)
         • Total hydrogen bond restraints: 1.0 (6)
       • Potential type of restraints: square-well-parabolic (6)
         • Total hydrogen bond restraints: square-well-parabolic (6)
       • Range of distance target values: 2.0, 2.75 (Å)
       • Histogram of distance target values
       • Distance restraints per residue
         • Chain_ID: A
       • Distance restraints on contact map

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: 46.7%
   • Total number of restraints: 8
     • Phi angle constraints: 8
   • Total number of restraints per polymer type: 8
     • Protein: 8
   • Weight of restraints: 1.0 (8)
     • Phi angle constraints: 1.0 (8)
   • Potential type of restraints: square-well-parabolic (8)
     • Phi angle constraints: square-well-parabolic (8)
   • Dihedral angle restraints per residue