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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CIAHYGKCDGIINQCCDPWLCTPPIIGFCL
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CIAHYGKCDGIINQCCDPWLCTPPIIGFCL

Chain assignments

Content subtype: combined_18998_2mi9.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: 93.3%

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     CIAHYGKCDGIINQCCDPWLCTPPIIGFCL
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     .IAHYGKCDGIINQCCD.WLCTPPIIGFCL
     

   • Total number of assignments
     • ¹H chemical shifts: 154
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         7	LYS	HZ1	7.477
         7	LYS	HZ2	7.477
         7	LYS	HZ3	7.477

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	175	151	86.3

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	60	57	95.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	115	94	81.7

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	16	14	87.5

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	17	7	41.2

   • 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: 96.7%

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     CIAHYGKCDGIINQCCDPWLCTPPIIGFCL
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     .IAHYGKCDGIINQCCDPWLCTPPIIGFCL
     

   • Total number of restraints: 353
     • Intra-residue restraints, i = j : 187
     • Sequential restraints, | i - j | = 1 : 99
       • Backbone-backbone: 30
       • Backbone-side chain: 55
       • Side chain-side chain: 14
     • Medium range restraints, 1 < | i - j | < 5 : 10
       • Backbone-backbone: 1
       • Backbone-side chain: 7
       • Side chain-side chain: 2
     • Long range restraints, | i - j | >= 5 : 57
   • Weight of restraints: 1.0 (353)
     • Intra-residue restraints, i = j : 1.0 (187)
     • Sequential restraints, | i - j | = 1 : 1.0 (99)
       • Backbone-backbone: 1.0 (30)
       • Backbone-side chain: 1.0 (55)
       • Side chain-side chain: 1.0 (14)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (10)
       • Backbone-backbone: 1.0 (1)
       • Backbone-side chain: 1.0 (7)
       • Side chain-side chain: 1.0 (2)
     • Long range restraints, | i - j | >= 5 : 1.0 (57)
   • Potential type of restraints: upper-bound-parabolic (353)
     • Intra-residue restraints, i = j : upper-bound-parabolic (187)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (99)
       • Backbone-backbone: upper-bound-parabolic (30)
       • Backbone-side chain: upper-bound-parabolic (55)
       • Side chain-side chain: upper-bound-parabolic (14)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (10)
       • Backbone-backbone: upper-bound-parabolic (1)
       • Backbone-side chain: upper-bound-parabolic (7)
       • Side chain-side chain: upper-bound-parabolic (2)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (57)
   • Range of distance target values: 2.4, 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: 96.7%

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     CIAHYGKCDGIINQCCDPWLCTPPIIGFCL
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     CIAHYGKCDGIINQCCDPWLCT.PIIGFCL
     

   • Total number of restraints: 228
     • Psi angle constraints: 63
     • Phi angle constraints: 63
     • Chi1 angle constraints: 69
     • Chi21 angle constraints: 15
     • Chi2 angle constraints: 12
     • Chi3 angle constraints: 3
     • Chi4 angle constraints: 3
   • Total number of restraints per polymer type: 228
     • Protein: 228
   • Weight of restraints: 1.0 (228)
     • Psi angle constraints: 1.0 (63)
     • Phi angle constraints: 1.0 (63)
     • Chi1 angle constraints: 1.0 (69)
     • Chi21 angle constraints: 1.0 (15)
     • Chi2 angle constraints: 1.0 (12)
     • Chi3 angle constraints: 1.0 (3)
     • Chi4 angle constraints: 1.0 (3)
   • Potential type of restraints: square-well-parabolic (228)
     • Psi angle constraints: square-well-parabolic (63)
     • Phi angle constraints: square-well-parabolic (63)
     • Chi1 angle constraints: square-well-parabolic (69)
     • Chi21 angle constraints: square-well-parabolic (15)
     • Chi2 angle constraints: square-well-parabolic (12)
     • Chi3 angle constraints: square-well-parabolic (3)
     • Chi4 angle constraints: square-well-parabolic (3)
   • Plot of Phi-Psi angle restraints
   • Plot of Chi1-Chi2 angle restraints
   • Dihedral angle restraints per residue
     • Chain_ID: A