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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MATKHGKNSWKTLYLKISFLGCKVVALLKR
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MATKHGKNSWKTLYLKISFLGCKVVALLKR

Chain assignments

Content subtype: combined_34270_6gif.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 30, Sequence coverage: 96.7%

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     MATKHGKNSWKTLYLKISFLGCKVVALLKR
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     MATKHGKNSWKTLYLKISFLGCKVVALLK 
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   • Total number of assignments
     • ¹H chemical shifts: 179
     • ¹⁵N chemical shifts: 30
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         5	HIS	HD1	8.552

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	199	178	89.4
         15N chemical shifts	33	30	90.9

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	62	59	95.2
         15N chemical shifts	30	28	93.3

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	137	119	86.9
         15N chemical shifts	3	2	66.7

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	21	15	71.4

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	17	15	88.2
         15N chemical shifts	1	1	100.0

   • 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: 30, Sequence coverage: 100.0%

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     MATKHGKNSWKTLYLKISFLGCKVVALLKR
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     MATKHGKNSWKTLYLKISFLGCKVVALLKR
     

   • Total number of restraints: 534
     • Intra-residue restraints, i = j : 2
     • Sequential restraints, | i - j | = 1 : 284
       • Backbone-backbone: 65
       • Backbone-side chain: 164
       • Side chain-side chain: 55
     • Medium range restraints, 1 < | i - j | < 5 : 245
       • Backbone-backbone: 57
       • Backbone-side chain: 112
       • Side chain-side chain: 76
     • Long range restraints, | i - j | >= 5 : 3
   • Weight of restraints: 1.0 (534)
     • Intra-residue restraints, i = j : 1.0 (2)
     • Sequential restraints, | i - j | = 1 : 1.0 (284)
       • Backbone-backbone: 1.0 (65)
       • Backbone-side chain: 1.0 (164)
       • Side chain-side chain: 1.0 (55)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (245)
       • Backbone-backbone: 1.0 (57)
       • Backbone-side chain: 1.0 (112)
       • Side chain-side chain: 1.0 (76)
     • Long range restraints, | i - j | >= 5 : 1.0 (3)
   • Potential type of restraints: upper-bound-parabolic (534)
     • Intra-residue restraints, i = j : upper-bound-parabolic (2)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (284)
       • Backbone-backbone: upper-bound-parabolic (65)
       • Backbone-side chain: upper-bound-parabolic (164)
       • Side chain-side chain: upper-bound-parabolic (55)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (245)
       • Backbone-backbone: upper-bound-parabolic (57)
       • Backbone-side chain: upper-bound-parabolic (112)
       • Side chain-side chain: upper-bound-parabolic (76)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (3)
   • Range of distance target values: 0.0, 6.0 (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: 76.7%

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     MATKHGKNSWKTLYLKISFLGCKVVALLKR
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     .......NSWKTLYLKISFLGCKVVALLKR
     

   • Total number of restraints: 42
     • Phi angle constraints: 21
     • Psi angle constraints: 21
   • Total number of restraints per polymer type: 42
     • Protein: 42
   • Weight of restraints: 1.0 (42)
     • Phi angle constraints: 1.0 (21)
     • Psi angle constraints: 1.0 (21)
   • Potential type of restraints: square-well-parabolic (42)
     • Phi angle constraints: square-well-parabolic (21)
     • Psi angle constraints: square-well-parabolic (21)
   • Plot of Phi-Psi angle restraints
   • Dihedral angle restraints per residue
     • Chain_ID: A