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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GPTPMVGLDSVSGQYWDQHAPLAD
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GPTPMVGLDSVSGQYWDQHAPLAD

Chain assignments

Content subtype: combined_19250_2m8f.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 24, Sequence coverage: 100.0%

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     GPTPMVGLDSVSGQYWDQHAPLAD
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     GPTPMVGLDSVSGQYWDQHAPLAD
     

   • Total number of assignments
     • ¹H chemical shifts: 131
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         3	THR	HG1	4.97
         15	TYR	HH	8.92
         19	HIS	HD1	10.8

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	131	127	96.9

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	48	45	93.8

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	83	82	98.8

       • 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	12	11	91.7

   • 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_3
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 24, Sequence coverage: 100.0%

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     GPTPMVGLDSVSGQYWDQHAPLAD
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     GPTPMVGLDSVSGQYWDQHAPLAD
     

   • Total number of restraints: 271
     • Intra-residue restraints, i = j : 124
     • Sequential restraints, | i - j | = 1 : 80
       • Backbone-backbone: 16
       • Backbone-side chain: 48
       • Side chain-side chain: 16
     • Medium range restraints, 1 < | i - j | < 5 : 14
       • Backbone-backbone: 1
       • Backbone-side chain: 5
       • Side chain-side chain: 8
     • Long range restraints, | i - j | >= 5 : 53
   • Weight of restraints: 1.0 (271)
     • Intra-residue restraints, i = j : 1.0 (124)
     • Sequential restraints, | i - j | = 1 : 1.0 (80)
       • Backbone-backbone: 1.0 (16)
       • Backbone-side chain: 1.0 (48)
       • Side chain-side chain: 1.0 (16)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (14)
       • Backbone-backbone: 1.0 (1)
       • Backbone-side chain: 1.0 (5)
       • Side chain-side chain: 1.0 (8)
     • Long range restraints, | i - j | >= 5 : 1.0 (53)
   • Potential type of restraints: upper-bound-parabolic (271)
     • Intra-residue restraints, i = j : upper-bound-parabolic (124)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (80)
       • Backbone-backbone: upper-bound-parabolic (16)
       • Backbone-side chain: upper-bound-parabolic (48)
       • Side chain-side chain: upper-bound-parabolic (16)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (14)
       • Backbone-backbone: upper-bound-parabolic (1)
       • Backbone-side chain: upper-bound-parabolic (5)
       • Side chain-side chain: upper-bound-parabolic (8)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (53)
   • Range of distance target values: 1.78, 8.86 (Å)
   • Histogram of 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_4
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 24, Sequence coverage: 66.7%

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     GPTPMVGLDSVSGQYWDQHAPLAD
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     .PTPMV....VS...WDQHAPLAD
     

   • Total number of restraints: 11
     • Phi angle constraints: 11
   • Total number of restraints per polymer type: 11
     • Protein: 11
   • Weight of restraints: 1.0 (11)
     • Phi angle constraints: 1.0 (11)
   • Potential type of restraints: square-well-parabolic (11)
     • Phi angle constraints: square-well-parabolic (11)
   • Dihedral angle restraints per residue
     • Chain_ID: A